*HEADER    HYDROLASE                               12-APR-12   2LRS              
*TITLE     THE SECOND DSRBD DOMAIN FROM A. THALIANA DICER-LIKE 1                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ENDORIBONUCLEASE DICER HOMOLOG 1;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: DRBM 2 DOMAIN RESIDUES 1837-1907;                          
*COMPND   5 SYNONYM: DICER-LIKE PROTEIN 1, ATDCL1, PROTEIN ABNORMAL SUSPENSOR 1, 
*COMPND   6 PROTEIN CARPEL FACTORY, PROTEIN SHORT INTEGUMENTS 1, PROTEIN         
*COMPND   7 SUSPENSOR 1;                                                         
*COMPND   8 EC: 3.1.26.-;                                                        
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA;                           
*SOURCE   3 ORGANISM_COMMON: MOUSE-EAR CRESS,THALE-CRESS;                        
*SOURCE   4 ORGANISM_TAXID: 3702;                                                
*SOURCE   5 GENE: DCL1, ASU1, CAF SIN1, SUS1, AT1G01040, T25K16.4;               
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET-TEV                                    
*KEYWDS    MIRNA, RNA BINDING, HYDROLASE                                         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.BURDISSO, I.SUAREZ, B.BERSCH, N.BOLOGNA, J.PALATNIK, J.BOISBOUVIER, 
*AUTHOR   2 R.RASIA                                                              
*REVDAT   1   23-JAN-13 2LRS    0                                                


assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  16  and name HN  )
 ( resid  15  and name C  ) 4.940  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  17  and name HN  )
 ( resid  16  and name C  ) -0.160  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  18  and name HN  )
 ( resid  17  and name C  ) -4.380  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  19  and name HN  )
 ( resid  18  and name C  ) -0.490  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  20  and name HN  )
 ( resid  19  and name C  ) 1.840  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  21  and name HN  )
 ( resid  20  and name C  ) -2.370  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  22  and name HN  )
 ( resid  21  and name C  ) -0.110  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  25  and name HN  )
 ( resid  24  and name C  ) -0.400  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  27  and name HN  )
 ( resid  26  and name C  ) 3.650  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  28  and name HN  )
 ( resid  27  and name C  ) -0.350  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  29  and name HN  )
 ( resid  28  and name C  ) 1.850  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  31  and name HN  )
 ( resid  30  and name C  ) 3.140  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  32  and name HN  )
 ( resid  31  and name C  ) 2.850  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  33  and name HN  )
 ( resid  32  and name C  ) -3.620  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  34  and name HN  )
 ( resid  33  and name C  ) 2.140  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  41  and name HN  )
 ( resid  40  and name C  ) 0.740  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  42  and name HN  )
 ( resid  41  and name C  ) -4.130  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  43  and name HN  )
 ( resid  42  and name C  ) 2.080  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  44  and name HN  )
 ( resid  43  and name C  ) -3.620  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  45  and name HN  )
 ( resid  44  and name C  ) 3.940  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  46  and name HN  )
 ( resid  45  and name C  ) -2.270  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  47  and name HN  )
 ( resid  46  and name C  ) 4.280  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  48  and name HN  )
 ( resid  47  and name C  ) -0.910  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  49  and name HN  )
 ( resid  48  and name C  ) 0.860  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  50  and name HN  )
 ( resid  49  and name C  ) 1.590  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  51  and name HN  )
 ( resid  50  and name C  ) -0.040  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  52  and name HN  )
 ( resid  51  and name C  ) 2.320  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  53  and name HN  )
 ( resid  52  and name C  ) -2.860  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  54  and name HN  )
 ( resid  53  and name C  ) 2.250  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  55  and name HN  )
 ( resid  54  and name C  ) 0.230  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  56  and name HN  )
 ( resid  55  and name C  ) 0.870  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  57  and name HN  )
 ( resid  56  and name C  ) 1.670  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  58  and name HN  )
 ( resid  57  and name C  ) -2.390  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  61  and name HN  )
 ( resid  60  and name C  ) 0.250  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  62  and name HN  )
 ( resid  61  and name C  ) 1.960  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  64  and name HN  )
 ( resid  63  and name C  ) 5.370  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  66  and name HN  )
 ( resid  65  and name C  ) -3.730  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  67  and name HN  )
 ( resid  66  and name C  ) 0.980  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  68  and name HN  )
 ( resid  67  and name C  ) 0.430  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  69  and name HN  )
 ( resid  68  and name C  ) -1.090  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  70  and name HN  )
 ( resid  69  and name C  ) -1.370  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  71  and name HN  )
 ( resid  70  and name C  ) 8.910  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  72  and name HN  )
 ( resid  71  and name C  ) -0.500  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  73  and name HN  )
 ( resid  72  and name C  ) -7.170  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  74  and name HN  )
 ( resid  73  and name C  ) -0.260  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  75  and name HN  )
 ( resid  74  and name C  ) 2.900  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  76  and name HN  )
 ( resid  75  and name C  ) 0.710  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  77  and name HN  )
 ( resid  76  and name C  ) -3.900  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  78  and name HN  )
 ( resid  77  and name C  ) 1.390  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  79  and name HN  )
 ( resid  78  and name C  ) -1.020  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  80  and name HN  )
 ( resid  79  and name C  ) -4.020  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  81  and name HN  )
 ( resid  80  and name C  ) -2.710  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  82  and name HN  )
 ( resid  81  and name C  ) 0.890  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  83  and name HN  )
 ( resid  82  and name C  ) 0.380  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  84  and name HN  )
 ( resid  83  and name C  ) -1.430  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  85  and name HN  )
 ( resid  84  and name C  ) 0.920  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  16  and name HN  )
 ( resid  16  and name N  ) -2.930  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  17  and name HN  )
 ( resid  17  and name N  ) 6.780  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  18  and name HN  )
 ( resid  18  and name N  ) 9.130  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  19  and name HN  )
 ( resid  19  and name N  ) -0.880  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  20  and name HN  )
 ( resid  20  and name N  ) -0.970  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  21  and name HN  )
 ( resid  21  and name N  ) 13.640  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  22  and name HN  )
 ( resid  22  and name N  ) -4.230  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  25  and name HN  )
 ( resid  25  and name N  ) -11.200  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  27  and name HN  )
 ( resid  27  and name N  ) -0.390  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  28  and name HN  )
 ( resid  28  and name N  ) -8.260  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  29  and name HN  )
 ( resid  29  and name N  ) -7.310  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  31  and name HN  )
 ( resid  31  and name N  ) -3.540  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  32  and name HN  )
 ( resid  32  and name N  ) 3.940  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  33  and name HN  )
 ( resid  33  and name N  ) -2.600  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  40  and name HN  )
 ( resid  40  and name N  ) -4.240  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  41  and name HN  )
 ( resid  41  and name N  ) 4.230  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  42  and name HN  )
 ( resid  42  and name N  ) -3.820  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  43  and name HN  )
 ( resid  43  and name N  ) 1.010  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  44  and name HN  )
 ( resid  44  and name N  ) -2.040  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  45  and name HN  )
 ( resid  45  and name N  ) -6.620  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  46  and name HN  )
 ( resid  46  and name N  ) -10.800  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  47  and name HN  )
 ( resid  47  and name N  ) -10.330  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  48  and name HN  )
 ( resid  48  and name N  ) -7.760  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  49  and name HN  )
 ( resid  49  and name N  ) -5.400  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  50  and name HN  )
 ( resid  50  and name N  ) 10.070  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  51  and name HN  )
 ( resid  51  and name N  ) -4.930  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  52  and name HN  )
 ( resid  52  and name N  ) -7.530  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  53  and name HN  )
 ( resid  53  and name N  ) -1.320  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  54  and name HN  )
 ( resid  54  and name N  ) -0.310  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  55  and name HN  )
 ( resid  55  and name N  ) -10.260  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  56  and name HN  )
 ( resid  56  and name N  ) -6.440  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  57  and name HN  )
 ( resid  57  and name N  ) 9.900  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  58  and name HN  )
 ( resid  58  and name N  ) -3.530  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  61  and name HN  )
 ( resid  61  and name N  ) -9.440  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  62  and name HN  )
 ( resid  62  and name N  ) 3.290  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  64  and name HN  )
 ( resid  64  and name N  ) -13.830  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  66  and name HN  )
 ( resid  66  and name N  ) 6.550  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  67  and name HN  )
 ( resid  67  and name N  ) 5.550  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  68  and name HN  )
 ( resid  68  and name N  ) 7.450  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  69  and name HN  )
 ( resid  69  and name N  ) 17.060  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  70  and name HN  )
 ( resid  70  and name N  ) 6.300  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  71  and name HN  )
 ( resid  71  and name N  ) 3.710  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  72  and name HN  )
 ( resid  72  and name N  ) 7.080  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  73  and name HN  )
 ( resid  73  and name N  ) 14.910  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  74  and name HN  )
 ( resid  74  and name N  ) 2.930  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  75  and name HN  )
 ( resid  75  and name N  ) 9.860  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  76  and name HN  )
 ( resid  76  and name N  ) 16.850  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  77  and name HN  )
 ( resid  77  and name N  ) 11.640  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  78  and name HN  )
 ( resid  78  and name N  ) 8.760  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  79  and name HN  )
 ( resid  79  and name N  ) 10.530  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  80  and name HN  )
 ( resid  80  and name N  ) 19.560  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  81  and name HN  )
 ( resid  81  and name N  ) 11.170  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  82  and name HN  )
 ( resid  82  and name N  ) 11.720  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  83  and name HN  )
 ( resid  83  and name N  ) 12.510  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  84  and name HN  )
 ( resid  84  and name N  ) 6.480  0.500

assign  ( resid 999  and name OO  )
 ( resid 999  and name Z   )
 ( resid 999  and name X   )
 ( resid 999  and name Y   )
 ( resid  85  and name HN  )
 ( resid  85  and name N  ) -4.060  0.500

assign (resid   14 and name C    ) (resid   15 and name N    )
       (resid   15 and name CA   ) (resid   15 and name C    )    1.0  -61.9   20.0 2
assign (resid   15 and name N    ) (resid   15 and name CA   )
       (resid   15 and name C    ) (resid   16 and name N    )    1.0  -40.5   20.0 2
assign (resid   15 and name C    ) (resid   16 and name N    )
       (resid   16 and name CA   ) (resid   16 and name C    )    1.0  -67.2   20.0 2
assign (resid   16 and name N    ) (resid   16 and name CA   )
       (resid   16 and name C    ) (resid   17 and name N    )    1.0  -41.2   20.0 2
assign (resid   16 and name C    ) (resid   17 and name N    )
       (resid   17 and name CA   ) (resid   17 and name C    )    1.0  -68.0   20.3 2
assign (resid   17 and name N    ) (resid   17 and name CA   )
       (resid   17 and name C    ) (resid   18 and name N    )    1.0  -41.3   20.3 2
assign (resid   17 and name C    ) (resid   18 and name N    )
       (resid   18 and name CA   ) (resid   18 and name C    )    1.0  -60.8   20.0 2
assign (resid   18 and name N    ) (resid   18 and name CA   )
       (resid   18 and name C    ) (resid   19 and name N    )    1.0  -41.6   20.0 2
assign (resid   18 and name C    ) (resid   19 and name N    )
       (resid   19 and name CA   ) (resid   19 and name C    )    1.0  -59.4   20.0 2
assign (resid   19 and name N    ) (resid   19 and name CA   )
       (resid   19 and name C    ) (resid   20 and name N    )    1.0  -41.5   20.0 2
assign (resid   19 and name C    ) (resid   20 and name N    )
       (resid   20 and name CA   ) (resid   20 and name C    )    1.0  -66.4   20.0 2
assign (resid   20 and name N    ) (resid   20 and name CA   )
       (resid   20 and name C    ) (resid   21 and name N    )    1.0  -31.2   20.0 2
assign (resid   20 and name C    ) (resid   21 and name N    )
       (resid   21 and name CA   ) (resid   21 and name C    )    1.0  -97.4   23.1 2
assign (resid   21 and name N    ) (resid   21 and name CA   )
       (resid   21 and name C    ) (resid   22 and name N    )    1.0   10.0   20.0 2
assign (resid   21 and name C    ) (resid   22 and name N    )
       (resid   22 and name CA   ) (resid   22 and name C    )    1.0   60.8   20.0 2
assign (resid   22 and name N    ) (resid   22 and name CA   )
       (resid   22 and name C    ) (resid   23 and name N    )    1.0   39.1   24.6 2
assign (resid   22 and name C    ) (resid   23 and name N    )
       (resid   23 and name CA   ) (resid   23 and name C    )    1.0 -103.8   48.4 2
assign (resid   23 and name N    ) (resid   23 and name CA   )
       (resid   23 and name C    ) (resid   24 and name N    )    1.0  128.5   43.9 2
assign (resid   25 and name C    ) (resid   26 and name N    )
       (resid   26 and name CA   ) (resid   26 and name C    )    1.0  -71.1   20.0 2
assign (resid   26 and name N    ) (resid   26 and name CA   )
       (resid   26 and name C    ) (resid   27 and name N    )    1.0  151.1   20.0 2
assign (resid   26 and name C    ) (resid   27 and name N    )
       (resid   27 and name CA   ) (resid   27 and name C    )    1.0  -98.1   34.2 2
assign (resid   27 and name N    ) (resid   27 and name CA   )
       (resid   27 and name C    ) (resid   28 and name N    )    1.0  131.4   41.7 2
assign (resid   27 and name C    ) (resid   28 and name N    )
       (resid   28 and name CA   ) (resid   28 and name C    )    1.0 -108.9   44.0 2
assign (resid   28 and name N    ) (resid   28 and name CA   )
       (resid   28 and name C    ) (resid   29 and name N    )    1.0  141.2   29.2 2
assign (resid   28 and name C    ) (resid   29 and name N    )
       (resid   29 and name CA   ) (resid   29 and name C    )    1.0 -138.4   26.3 2
assign (resid   29 and name N    ) (resid   29 and name CA   )
       (resid   29 and name C    ) (resid   30 and name N    )    1.0  145.3   36.6 2
assign (resid   29 and name C    ) (resid   30 and name N    )
       (resid   30 and name CA   ) (resid   30 and name C    )    1.0  -82.1   20.0 2
assign (resid   30 and name N    ) (resid   30 and name CA   )
       (resid   30 and name C    ) (resid   31 and name N    )    1.0  114.1   22.9 2
assign (resid   30 and name C    ) (resid   31 and name N    )
       (resid   31 and name CA   ) (resid   31 and name C    )    1.0  -90.8   20.4 2
assign (resid   31 and name N    ) (resid   31 and name CA   )
       (resid   31 and name C    ) (resid   32 and name N    )    1.0  -40.1   20.0 2
assign (resid   31 and name C    ) (resid   32 and name N    )
       (resid   32 and name CA   ) (resid   32 and name C    )    1.0 -156.9   20.0 2
assign (resid   32 and name N    ) (resid   32 and name CA   )
       (resid   32 and name C    ) (resid   33 and name N    )    1.0  143.5   30.0 2
assign (resid   32 and name C    ) (resid   33 and name N    )
       (resid   33 and name CA   ) (resid   33 and name C    )    1.0 -125.3   24.2 2
assign (resid   33 and name N    ) (resid   33 and name CA   )
       (resid   33 and name C    ) (resid   34 and name N    )    1.0  135.6   22.1 2
assign (resid   37 and name C    ) (resid   38 and name N    )
       (resid   38 and name CA   ) (resid   38 and name C    )    1.0  -96.0   24.2 2
assign (resid   38 and name N    ) (resid   38 and name CA   )
       (resid   38 and name C    ) (resid   39 and name N    )    1.0   -5.2   23.1 2
assign (resid   39 and name C    ) (resid   40 and name N    )
       (resid   40 and name CA   ) (resid   40 and name C    )    1.0 -101.7   22.6 2
assign (resid   40 and name N    ) (resid   40 and name CA   )
       (resid   40 and name C    ) (resid   41 and name N    )    1.0  -22.0   35.7 2
assign (resid   40 and name C    ) (resid   41 and name N    )
       (resid   41 and name CA   ) (resid   41 and name C    )    1.0 -136.3   49.8 2
assign (resid   41 and name N    ) (resid   41 and name CA   )
       (resid   41 and name C    ) (resid   42 and name N    )    1.0  153.2   20.0 2
assign (resid   41 and name C    ) (resid   42 and name N    )
       (resid   42 and name CA   ) (resid   42 and name C    )    1.0 -135.2   22.4 2
assign (resid   42 and name N    ) (resid   42 and name CA   )
       (resid   42 and name C    ) (resid   43 and name N    )    1.0  141.4   27.6 2
assign (resid   42 and name C    ) (resid   43 and name N    )
       (resid   43 and name CA   ) (resid   43 and name C    )    1.0 -107.8   42.3 2
assign (resid   43 and name N    ) (resid   43 and name CA   )
       (resid   43 and name C    ) (resid   44 and name N    )    1.0  124.0   20.0 2
assign (resid   43 and name C    ) (resid   44 and name N    )
       (resid   44 and name CA   ) (resid   44 and name C    )    1.0 -120.6   21.3 2
assign (resid   44 and name N    ) (resid   44 and name CA   )
       (resid   44 and name C    ) (resid   45 and name N    )    1.0  161.5   20.0 2
assign (resid   44 and name C    ) (resid   45 and name N    )
       (resid   45 and name CA   ) (resid   45 and name C    )    1.0 -128.7   29.3 2
assign (resid   45 and name N    ) (resid   45 and name CA   )
       (resid   45 and name C    ) (resid   46 and name N    )    1.0  143.1   20.0 2
assign (resid   45 and name C    ) (resid   46 and name N    )
       (resid   46 and name CA   ) (resid   46 and name C    )    1.0 -132.1   21.3 2
assign (resid   46 and name N    ) (resid   46 and name CA   )
       (resid   46 and name C    ) (resid   47 and name N    )    1.0  149.6   26.5 2
assign (resid   46 and name C    ) (resid   47 and name N    )
       (resid   47 and name CA   ) (resid   47 and name C    )    1.0 -138.7   29.3 2
assign (resid   47 and name N    ) (resid   47 and name CA   )
       (resid   47 and name C    ) (resid   48 and name N    )    1.0  151.5   20.1 2
assign (resid   47 and name C    ) (resid   48 and name N    )
       (resid   48 and name CA   ) (resid   48 and name C    )    1.0 -135.7   35.9 2
assign (resid   48 and name N    ) (resid   48 and name CA   )
       (resid   48 and name C    ) (resid   49 and name N    )    1.0  139.1   20.0 2
assign (resid   48 and name C    ) (resid   49 and name N    )
       (resid   49 and name CA   ) (resid   49 and name C    )    1.0 -102.6   25.6 2
assign (resid   49 and name N    ) (resid   49 and name CA   )
       (resid   49 and name C    ) (resid   50 and name N    )    1.0  121.4   36.9 2
assign (resid   50 and name C    ) (resid   51 and name N    )
       (resid   51 and name CA   ) (resid   51 and name C    )    1.0  -66.0   21.5 2
assign (resid   51 and name N    ) (resid   51 and name CA   )
       (resid   51 and name C    ) (resid   52 and name N    )    1.0  -25.5   21.7 2
assign (resid   51 and name C    ) (resid   52 and name N    )
       (resid   52 and name CA   ) (resid   52 and name C    )    1.0  -85.6   44.6 2
assign (resid   52 and name N    ) (resid   52 and name CA   )
       (resid   52 and name C    ) (resid   53 and name N    )    1.0  -25.5   52.2 2
assign (resid   54 and name C    ) (resid   55 and name N    )
       (resid   55 and name CA   ) (resid   55 and name C    )    1.0  -77.0   49.5 2
assign (resid   55 and name N    ) (resid   55 and name CA   )
       (resid   55 and name C    ) (resid   56 and name N    )    1.0  138.1   20.0 2
assign (resid   55 and name C    ) (resid   56 and name N    )
       (resid   56 and name CA   ) (resid   56 and name C    )    1.0  -92.8   41.8 2
assign (resid   56 and name N    ) (resid   56 and name CA   )
       (resid   56 and name C    ) (resid   57 and name N    )    1.0  168.8   25.3 2
assign (resid   57 and name C    ) (resid   58 and name N    )
       (resid   58 and name CA   ) (resid   58 and name C    )    1.0 -102.8   51.1 2
assign (resid   58 and name N    ) (resid   58 and name CA   )
       (resid   58 and name C    ) (resid   59 and name N    )    1.0  119.2   24.8 2
assign (resid   58 and name C    ) (resid   59 and name N    )
       (resid   59 and name CA   ) (resid   59 and name C    )    1.0 -113.7   56.2 2
assign (resid   59 and name N    ) (resid   59 and name CA   )
       (resid   59 and name C    ) (resid   60 and name N    )    1.0  123.0   23.8 2
assign (resid   59 and name C    ) (resid   60 and name N    )
       (resid   60 and name CA   ) (resid   60 and name C    )    1.0 -111.8   37.6 2
assign (resid   60 and name N    ) (resid   60 and name CA   )
       (resid   60 and name C    ) (resid   61 and name N    )    1.0  120.2   27.0 2
assign (resid   66 and name C    ) (resid   67 and name N    )
       (resid   67 and name CA   ) (resid   67 and name C    )    1.0  -64.1   20.0 2
assign (resid   67 and name N    ) (resid   67 and name CA   )
       (resid   67 and name C    ) (resid   68 and name N    )    1.0  -43.6   20.0 2
assign (resid   67 and name C    ) (resid   68 and name N    )
       (resid   68 and name CA   ) (resid   68 and name C    )    1.0  -60.3   20.0 2
assign (resid   68 and name N    ) (resid   68 and name CA   )
       (resid   68 and name C    ) (resid   69 and name N    )    1.0  -45.0   20.0 2
assign (resid   68 and name C    ) (resid   69 and name N    )
       (resid   69 and name CA   ) (resid   69 and name C    )    1.0  -60.7   20.0 2
assign (resid   69 and name N    ) (resid   69 and name CA   )
       (resid   69 and name C    ) (resid   70 and name N    )    1.0  -39.2   20.0 2
assign (resid   69 and name C    ) (resid   70 and name N    )
       (resid   70 and name CA   ) (resid   70 and name C    )    1.0  -65.3   20.0 2
assign (resid   70 and name N    ) (resid   70 and name CA   )
       (resid   70 and name C    ) (resid   71 and name N    )    1.0  -40.6   20.0 2
assign (resid   70 and name C    ) (resid   71 and name N    )
       (resid   71 and name CA   ) (resid   71 and name C    )    1.0  -66.1   20.0 2
assign (resid   71 and name N    ) (resid   71 and name CA   )
       (resid   71 and name C    ) (resid   72 and name N    )    1.0  -40.0   22.2 2
assign (resid   71 and name C    ) (resid   72 and name N    )
       (resid   72 and name CA   ) (resid   72 and name C    )    1.0  -60.3   20.0 2
assign (resid   72 and name N    ) (resid   72 and name CA   )
       (resid   72 and name C    ) (resid   73 and name N    )    1.0  -48.4   20.0 2
assign (resid   72 and name C    ) (resid   73 and name N    )
       (resid   73 and name CA   ) (resid   73 and name C    )    1.0  -61.0   20.0 2
assign (resid   73 and name N    ) (resid   73 and name CA   )
       (resid   73 and name C    ) (resid   74 and name N    )    1.0  -44.2   20.0 2
assign (resid   73 and name C    ) (resid   74 and name N    )
       (resid   74 and name CA   ) (resid   74 and name C    )    1.0  -61.1   20.0 2
assign (resid   74 and name N    ) (resid   74 and name CA   )
       (resid   74 and name C    ) (resid   75 and name N    )    1.0  -40.6   20.0 2
assign (resid   74 and name C    ) (resid   75 and name N    )
       (resid   75 and name CA   ) (resid   75 and name C    )    1.0  -64.8   20.0 2
assign (resid   75 and name N    ) (resid   75 and name CA   )
       (resid   75 and name C    ) (resid   76 and name N    )    1.0  -42.1   20.0 2
assign (resid   75 and name C    ) (resid   76 and name N    )
       (resid   76 and name CA   ) (resid   76 and name C    )    1.0  -65.2   20.0 2
assign (resid   76 and name N    ) (resid   76 and name CA   )
       (resid   76 and name C    ) (resid   77 and name N    )    1.0  -42.2   20.0 2
assign (resid   76 and name C    ) (resid   77 and name N    )
       (resid   77 and name CA   ) (resid   77 and name C    )    1.0  -61.1   20.0 2
assign (resid   77 and name N    ) (resid   77 and name CA   )
       (resid   77 and name C    ) (resid   78 and name N    )    1.0  -39.9   20.7 2
assign (resid   77 and name C    ) (resid   78 and name N    )
       (resid   78 and name CA   ) (resid   78 and name C    )    1.0  -66.8   20.0 2
assign (resid   78 and name N    ) (resid   78 and name CA   )
       (resid   78 and name C    ) (resid   79 and name N    )    1.0  -41.0   20.0 2
assign (resid   78 and name C    ) (resid   79 and name N    )
       (resid   79 and name CA   ) (resid   79 and name C    )    1.0  -63.7   20.0 2
assign (resid   79 and name N    ) (resid   79 and name CA   )
       (resid   79 and name C    ) (resid   80 and name N    )    1.0  -41.7   20.0 2
assign (resid   79 and name C    ) (resid   80 and name N    )
       (resid   80 and name CA   ) (resid   80 and name C    )    1.0  -63.8   20.0 2
assign (resid   80 and name N    ) (resid   80 and name CA   )
       (resid   80 and name C    ) (resid   81 and name N    )    1.0  -42.9   20.0 2
assign (resid   80 and name C    ) (resid   81 and name N    )
       (resid   81 and name CA   ) (resid   81 and name C    )    1.0  -63.3   20.0 2
assign (resid   81 and name N    ) (resid   81 and name CA   )
       (resid   81 and name C    ) (resid   82 and name N    )    1.0  -44.4   20.0 2
assign (resid   81 and name C    ) (resid   82 and name N    )
       (resid   82 and name CA   ) (resid   82 and name C    )    1.0  -66.5   20.0 2
assign (resid   82 and name N    ) (resid   82 and name CA   )
       (resid   82 and name C    ) (resid   83 and name N    )    1.0  -24.1   24.9 2
assign (resid   82 and name C    ) (resid   83 and name N    )
       (resid   83 and name CA   ) (resid   83 and name C    )    1.0  -88.5   30.3 2
assign (resid   83 and name N    ) (resid   83 and name CA   )
       (resid   83 and name C    ) (resid   84 and name N    )    1.0  -13.8   28.7 2
assign (segid "    " and resid   23 and name  HE3) (segid "    " and resid   18 and name   HA) 2.663 0.887 0.887 weight 1.000 ! spec=2doesy, no=2, id=1475, vol=3.960000e+05
assign (segid "    " and resid   23 and name  HE3) (segid "    " and resid   24 and name  HD1) 4.148 2.151 2.151 weight 1.000 ! spec=2doesy, no=3, id=1476, vol=2.775000e+04
assign (segid "    " and resid   38 and name  HE1) (segid "    " and resid   36 and name  HD2) 3.638 1.655 1.655 weight 1.000 ! spec=2doesy, no=6, id=1478, vol=6.094000e+04
    or (segid "    " and resid   38 and name  HE1) (segid "    " and resid   36 and name  HD1)
assign (segid "    " and resid   23 and name  HB2) (segid "    " and resid   23 and name  HE3) 3.027 1.145 1.145 weight 1.000 ! spec=2doesy, no=8, id=1479, vol=1.838000e+05
assign (segid "    " and resid   38 and name  HE1) (segid "    " and resid   38 and name  HB1) 3.728 1.737 1.737 weight 1.000 ! spec=2doesy, no=9, id=1480, vol=5.266000e+04
assign (segid "    " and resid   23 and name  HE3) (segid "    " and resid   23 and name  HB1) 2.865 1.026 1.026 weight 1.000 ! spec=2doesy, no=10, id=1481, vol=2.555000e+05
assign (segid "    " and resid   23 and name  HZ2) (segid "    " and resid   21 and name  HE2) 3.496 1.528 1.528 weight 1.000 ! spec=2doesy, no=11, id=1482, vol=7.738000e+04
assign (segid "    " and resid   23 and name  HZ2) (segid "    " and resid   21 and name  HE1) 3.449 1.487 1.487 weight 1.000 ! spec=2doesy, no=13, id=1484, vol=8.404000e+04
assign (segid "    " and resid   38 and name  HE1) (segid "    " and resid   36 and name  HB2) 2.947 1.085 1.085 weight 1.000 ! spec=2doesy, no=14, id=1485, vol=2.159000e+05
assign (segid "    " and resid   38 and name  HE1) (segid "    " and resid   36 and name  HG2) 2.818 0.992 0.992 weight 1.000 ! spec=2doesy, no=23, id=1488, vol=2.825000e+05
    or (segid "    " and resid   38 and name  HE1) (segid "    " and resid   36 and name  HG1)
assign (segid "    " and resid   38 and name  HE1) (segid "    " and resid   36 and name  HB1) 2.618 0.857 0.857 weight 1.000 ! spec=2doesy, no=25, id=1489, vol=4.391000e+05
assign (segid "    " and resid   38 and name  HE1) (segid "    " and resid   37 and name  HB2) 3.897 1.898 1.898 weight 1.000 ! spec=2doesy, no=27, id=1491, vol=4.035000e+04
    or (segid "    " and resid   38 and name  HE1) (segid "    " and resid   37 and name  HB1)
    or (segid "    " and resid   38 and name  HE1) (segid "    " and resid   37 and name  HB3)
assign (segid "    " and resid   23 and name  HZ2) (segid "    " and resid   82 and name HD12) 3.234 1.308 1.308 weight 1.000 ! spec=2doesy, no=33, id=1495, vol=1.235000e+05
    or (segid "    " and resid   23 and name  HZ2) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   23 and name  HZ2) (segid "    " and resid   82 and name HD13)
assign (segid "    " and resid   48 and name HG22) (segid "    " and resid   23 and name  HE3) 2.939 1.080 1.080 weight 1.000 ! spec=2doesy, no=35, id=1497, vol=2.194000e+05
    or (segid "    " and resid   48 and name HG21) (segid "    " and resid   23 and name  HE3)
    or (segid "    " and resid   48 and name HG23) (segid "    " and resid   23 and name  HE3)
assign (segid "    " and resid   23 and name  HZ2) (segid "    " and resid   21 and name  HG2) 3.744 1.753 1.753 weight 1.000 ! spec=2doesy, no=38, id=1500, vol=5.129000e+04
assign (segid "    " and resid   23 and name  HE3) (segid "    " and resid   21 and name  HB2) 3.811 1.815 1.815 weight 1.000 ! spec=2doesy, no=44, id=1504, vol=4.616000e+04
assign (segid "    " and resid   23 and name  HE3) (segid "    " and resid   21 and name  HB1) 3.516 1.545 1.545 weight 1.000 ! spec=2doesy, no=47, id=1506, vol=7.484000e+04
assign (segid "    " and resid   23 and name  HZ2) (segid "    " and resid   21 and name  HB1) 3.511 1.541 1.541 weight 1.000 ! spec=2doesy, no=48, id=1507, vol=7.544000e+04
assign (segid "    " and resid   23 and name  HE3) (segid "    " and resid   50 and name HG21) 3.251 1.321 1.321 weight 1.000 ! spec=2doesy, no=53, id=1509, vol=1.197000e+05
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   50 and name HG21) (segid "    " and resid   23 and name  HZ2) 2.826 0.998 0.998 weight 1.000 ! spec=2doesy, no=54, id=1510, vol=2.777000e+05
    or (segid "    " and resid   50 and name HG22) (segid "    " and resid   23 and name  HZ2)
    or (segid "    " and resid   50 and name HG23) (segid "    " and resid   23 and name  HZ2)
assign (segid "    " and resid   23 and name  HE3) (segid "    " and resid   23 and name  HH2) 3.274 1.340 1.340 weight 1.000 ! spec=2doesy, no=55, id=1511, vol=1.147000e+05
assign (segid "    " and resid   23 and name  HZ2) (segid "    " and resid   23 and name  HH2) 2.156 0.581 0.581 weight 1.000 ! spec=2doesy, no=56, id=1512, vol=1.409000e+06
assign (segid "    " and resid   23 and name  HE3) (segid "    " and resid   23 and name  HZ3) 2.372 0.703 0.703 weight 1.000 ! spec=2doesy, no=59, id=1513, vol=7.943000e+05
assign (segid "    " and resid   42 and name  HD1) (segid "    " and resid   67 and name HG22) 3.112 1.211 1.211 weight 1.000 ! spec=2doesy, no=74, id=1517, vol=1.555000e+05
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   67 and name HG21)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   67 and name HG23)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   67 and name HG22)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   67 and name HG21)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   67 and name HG23)
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   21 and name  HB2) 3.286 1.350 1.350 weight 1.000 ! spec=2doesy, no=76, id=1518, vol=1.123000e+05
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   21 and name  HB2) 3.427 1.468 1.468 weight 1.000 ! spec=2doesy, no=79, id=1519, vol=8.727000e+04
assign (segid "    " and resid   67 and name HG12) (segid "    " and resid   42 and name  HE1) 2.436 0.742 0.742 weight 1.000 ! spec=2doesy, no=81, id=1521, vol=6.771000e+05
    or (segid "    " and resid   67 and name HG11) (segid "    " and resid   42 and name  HE1)
    or (segid "    " and resid   67 and name HG13) (segid "    " and resid   42 and name  HE1)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   67 and name HG12)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   67 and name HG11)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   67 and name HG13)
assign (segid "    " and resid   42 and name  HD1) (segid "    " and resid   67 and name HG12) 2.727 0.929 0.929 weight 1.000 ! spec=2doesy, no=82, id=1522, vol=3.439000e+05
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   67 and name HG11)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   67 and name HG13)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   67 and name HG12)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   67 and name HG11)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   67 and name HG13)
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   21 and name  HB1) 3.945 1.946 1.946 weight 1.000 ! spec=2doesy, no=84, id=1524, vol=3.747000e+04
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   21 and name  HB1) 3.656 1.671 1.671 weight 1.000 ! spec=2doesy, no=85, id=1525, vol=5.921000e+04
assign (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   21 and name  HB1) 3.855 1.857 1.857 weight 1.000 ! spec=2doesy, no=86, id=1526, vol=4.309000e+04
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   21 and name  HG1) 3.966 1.966 1.966 weight 1.000 ! spec=2doesy, no=87, id=1527, vol=3.635000e+04
assign (segid "    " and resid   28 and name  HD1) (segid "    " and resid   46 and name HG12) 2.843 1.010 1.010 weight 1.000 ! spec=2doesy, no=88, id=1528, vol=2.679000e+05
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   46 and name HG13)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   46 and name HG12)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   46 and name HG12) (segid "    " and resid   28 and name  HE1) 2.625 0.861 0.861 weight 1.000 ! spec=2doesy, no=89, id=1529, vol=4.321000e+05
    or (segid "    " and resid   46 and name HG11) (segid "    " and resid   28 and name  HE1)
    or (segid "    " and resid   46 and name HG13) (segid "    " and resid   28 and name  HE1)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   46 and name HG12)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   50 and name HG21) 3.159 1.247 1.247 weight 1.000 ! spec=2doesy, no=90, id=1530, vol=1.423000e+05
    or (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   50 and name HG21) 2.991 1.118 1.118 weight 1.000 ! spec=2doesy, no=91, id=1531, vol=1.973000e+05
    or (segid "    " and resid   23 and name  HH2) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   23 and name  HH2) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   28 and name  HE1) (segid "    " and resid   71 and name  HG1) 3.625 1.642 1.642 weight 1.000 ! spec=2doesy, no=96, id=1532, vol=6.233000e+04
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   71 and name  HG1)
assign (segid "    " and resid   42 and name  HE1) (segid "    " and resid   33 and name  HG2) 2.830 1.001 1.001 weight 1.000 ! spec=2doesy, no=123, id=1545, vol=2.750000e+05
    or (segid "    " and resid   42 and name  HE1) (segid "    " and resid   33 and name  HG1)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   33 and name  HG2)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   33 and name  HG1)
assign (segid "    " and resid   42 and name  HD1) (segid "    " and resid   33 and name  HG2) 2.900 1.052 1.052 weight 1.000 ! spec=2doesy, no=125, id=1546, vol=2.374000e+05
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   33 and name  HG1)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   33 and name  HG2)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   33 and name  HG1)
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   55 and name  HE3) 2.717 0.923 0.923 weight 1.000 ! spec=2doesy, no=144, id=1553, vol=3.516000e+05
    or (segid "    " and resid   55 and name  HE3) (segid "    " and resid   47 and name  HB1)
assign (segid "    " and resid   55 and name  HZ3) (segid "    " and resid   47 and name  HB2) 3.136 1.229 1.229 weight 1.000 ! spec=2doesy, no=145, id=1554, vol=1.487000e+05
    or (segid "    " and resid   55 and name  HZ3) (segid "    " and resid   47 and name  HB1)
assign (segid "    " and resid   55 and name  HH2) (segid "    " and resid   26 and name  HB2) 3.580 1.602 1.602 weight 1.000 ! spec=2doesy, no=149, id=1555, vol=6.717000e+04
assign (segid "    " and resid   55 and name  HZ3) (segid "    " and resid   48 and name   HB) 3.320 1.378 1.378 weight 1.000 ! spec=2doesy, no=165, id=1561, vol=1.056000e+05
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   48 and name   HB) 3.699 1.710 1.710 weight 1.000 ! spec=2doesy, no=168, id=1563, vol=5.519000e+04
assign (segid "    " and resid   55 and name  HZ2) (segid "    " and resid   47 and name  HG2) 3.810 1.814 1.814 weight 1.000 ! spec=2doesy, no=169, id=1564, vol=4.624000e+04
assign (segid "    " and resid   44 and name  HD1) (segid "    " and resid   74 and name  HB2) 2.680 0.898 0.898 weight 1.000 ! spec=2doesy, no=171, id=1565, vol=3.817000e+05
    or (segid "    " and resid   44 and name  HD1) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   44 and name  HD1) (segid "    " and resid   74 and name  HB3)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   74 and name  HB2)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   74 and name  HB3)
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   74 and name  HB2) 2.722 0.926 0.926 weight 1.000 ! spec=2doesy, no=173, id=1567, vol=3.477000e+05
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   74 and name  HB3)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   74 and name  HB2)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   74 and name  HB3)
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   82 and name  HB1) 3.755 1.762 1.762 weight 1.000 ! spec=2doesy, no=176, id=1569, vol=5.044000e+04
assign (segid "    " and resid   55 and name  HH2) (segid "    " and resid   47 and name  HG1) 3.729 1.738 1.738 weight 1.000 ! spec=2doesy, no=181, id=1572, vol=5.261000e+04
assign (segid "    " and resid   55 and name  HE3) (segid "    " and resid   47 and name  HG1) 2.959 1.094 1.094 weight 1.000 ! spec=2doesy, no=182, id=1573, vol=2.107000e+05
assign (segid "    " and resid   55 and name  HZ3) (segid "    " and resid   47 and name  HG1) 2.975 1.106 1.106 weight 1.000 ! spec=2doesy, no=184, id=1574, vol=2.039000e+05
assign (segid "    " and resid   42 and name  HE1) (segid "    " and resid   40 and name  HD2) 2.874 1.033 1.033 weight 1.000 ! spec=2doesy, no=196, id=1581, vol=2.508000e+05
    or (segid "    " and resid   42 and name  HE1) (segid "    " and resid   40 and name  HD1)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   40 and name  HD2)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   40 and name  HD1)
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   71 and name  HB1) 3.208 1.286 1.286 weight 1.000 ! spec=2doesy, no=209, id=1588, vol=1.297000e+05
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   71 and name  HB1)
assign (segid "    " and resid   28 and name  HD1) (segid "    " and resid   71 and name  HB1) 3.512 1.542 1.542 weight 1.000 ! spec=2doesy, no=210, id=1589, vol=7.531000e+04
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   71 and name  HB1)
assign (segid "    " and resid   28 and name  HE1) (segid "    " and resid   71 and name  HB1) 3.073 1.181 1.181 weight 1.000 ! spec=2doesy, no=211, id=1590, vol=1.677000e+05
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   71 and name  HB1)
assign (segid "    " and resid   44 and name  HD1) (segid "    " and resid   43 and name HG21) 4.009 2.009 2.009 weight 1.000 ! spec=2doesy, no=215, id=1592, vol=3.403000e+04
    or (segid "    " and resid   44 and name  HD1) (segid "    " and resid   43 and name HG22)
    or (segid "    " and resid   44 and name  HD1) (segid "    " and resid   43 and name HG23)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   43 and name HG21)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   43 and name HG22)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   43 and name HG23)
assign (segid "    " and resid   28 and name  HD1) (segid "    " and resid   78 and name HD22) 3.877 1.879 1.879 weight 1.000 ! spec=2doesy, no=219, id=1593, vol=4.164000e+04
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   78 and name HD23)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   78 and name HD22)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   78 and name HD23)
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   21 and name  HD2) 3.582 1.604 1.604 weight 1.000 ! spec=2doesy, no=220, id=1594, vol=6.695000e+04
assign (segid "    " and resid   28 and name  HE1) (segid "    " and resid   78 and name HD22) 3.184 1.267 1.267 weight 1.000 ! spec=2doesy, no=222, id=1596, vol=1.357000e+05
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   78 and name HD23)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   78 and name HD22)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   78 and name HD23)
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   38 and name  HD2) 2.490 0.775 0.775 weight 1.000 ! spec=2doesy, no=224, id=1597, vol=5.924000e+05
    or (segid "    " and resid   39 and name  HB1) (segid "    " and resid   38 and name  HD2)
    or (segid "    " and resid   39 and name  HB3) (segid "    " and resid   38 and name  HD2)
assign (segid "    " and resid   82 and name HD12) (segid "    " and resid   23 and name  HZ3) 2.468 0.762 0.762 weight 1.000 ! spec=2doesy, no=227, id=1600, vol=6.250000e+05
    or (segid "    " and resid   82 and name HD11) (segid "    " and resid   23 and name  HZ3)
    or (segid "    " and resid   82 and name HD13) (segid "    " and resid   23 and name  HZ3)
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   48 and name HG22) 3.806 1.811 1.811 weight 1.000 ! spec=2doesy, no=229, id=1601, vol=4.651000e+04
    or (segid "    " and resid   23 and name  HH2) (segid "    " and resid   48 and name HG21)
    or (segid "    " and resid   23 and name  HH2) (segid "    " and resid   48 and name HG23)
assign (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   48 and name HG22) 3.178 1.262 1.262 weight 1.000 ! spec=2doesy, no=231, id=1602, vol=1.372000e+05
    or (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   48 and name HG21)
    or (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   48 and name HG23)
assign (segid "    " and resid   28 and name  HE1) (segid "    " and resid   48 and name HG22) 3.537 1.564 1.564 weight 1.000 ! spec=2doesy, no=232, id=1603, vol=7.215000e+04
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   48 and name HG21)
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   48 and name HG23)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   48 and name HG22)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   48 and name HG21)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   48 and name HG23)
assign (segid "    " and resid   28 and name  HE1) (segid "    " and resid   46 and name HG22) 2.973 1.105 1.105 weight 1.000 ! spec=2doesy, no=239, id=1606, vol=2.045000e+05
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   46 and name HG23)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   46 and name HG22)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   46 and name HG23)
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   48 and name HG12) 3.251 1.321 1.321 weight 1.000 ! spec=2doesy, no=244, id=1608, vol=1.197000e+05
    or (segid "    " and resid   23 and name  HH2) (segid "    " and resid   48 and name HG11)
    or (segid "    " and resid   23 and name  HH2) (segid "    " and resid   48 and name HG13)
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   48 and name HG12) 3.773 1.780 1.780 weight 1.000 ! spec=2doesy, no=246, id=1609, vol=4.897000e+04
    or (segid "    " and resid   23 and name  HD1) (segid "    " and resid   48 and name HG11)
    or (segid "    " and resid   23 and name  HD1) (segid "    " and resid   48 and name HG13)
assign (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   48 and name HG12) 2.759 0.951 0.951 weight 1.000 ! spec=2doesy, no=247, id=1610, vol=3.205000e+05
    or (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   48 and name HG11)
    or (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   48 and name HG13)
assign (segid "    " and resid   55 and name  HE3) (segid "    " and resid   55 and name  HB2) 3.043 1.157 1.157 weight 1.000 ! spec=2doesy, no=259, id=1618, vol=1.782000e+05
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HB2) 3.047 1.160 1.160 weight 1.000 ! spec=2doesy, no=270, id=1620, vol=1.768000e+05
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   28 and name  HB2) 2.590 0.838 0.838 weight 1.000 ! spec=2doesy, no=271, id=1621, vol=4.685000e+05
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   28 and name  HB1)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   28 and name  HB2)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   28 and name  HB1)
assign (segid "    " and resid   28 and name  HB2) (segid "    " and resid   28 and name  HD1) 2.168 0.587 0.587 weight 1.000 ! spec=2doesy, no=273, id=1623, vol=1.362000e+06
    or (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name  HD1)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   28 and name  HB2)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   28 and name  HB1)
assign (segid "    " and resid   28 and name  HE1) (segid "    " and resid   28 and name  HB2) 3.177 1.262 1.262 weight 1.000 ! spec=2doesy, no=274, id=1624, vol=1.374000e+05
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   28 and name  HB1)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   28 and name  HB2)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   28 and name  HB1)
assign (segid "    " and resid   42 and name  HD1) (segid "    " and resid   42 and name  HB2) 2.307 0.665 0.665 weight 1.000 ! spec=2doesy, no=282, id=1628, vol=9.382000e+05
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   42 and name  HB2)
assign (segid "    " and resid   38 and name  HD2) (segid "    " and resid   38 and name  HB1) 3.105 1.205 1.205 weight 1.000 ! spec=2doesy, no=292, id=1632, vol=1.576000e+05
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   23 and name  HB1) 3.231 1.305 1.305 weight 1.000 ! spec=2doesy, no=294, id=1633, vol=1.242000e+05
assign (segid "    " and resid   55 and name  HE3) (segid "    " and resid   55 and name  HB1) 3.173 1.259 1.259 weight 1.000 ! spec=2doesy, no=297, id=1635, vol=1.384000e+05
assign (segid "    " and resid   28 and name  HE1) (segid "    " and resid   15 and name  HB2) 3.621 1.639 1.639 weight 1.000 ! spec=2doesy, no=305, id=1637, vol=6.272000e+04
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   15 and name  HB1)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   15 and name  HB2)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   15 and name  HB1)
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   22 and name  HB1) 3.921 1.922 1.922 weight 1.000 ! spec=2doesy, no=311, id=1640, vol=3.889000e+04
assign (segid "    " and resid   55 and name  HE3) (segid "    " and resid   47 and name  HD2) 2.948 1.087 1.087 weight 1.000 ! spec=2doesy, no=320, id=1644, vol=2.152000e+05
    or (segid "    " and resid   55 and name  HE3) (segid "    " and resid   47 and name  HD1)
assign (segid "    " and resid   42 and name  HE1) (segid "    " and resid   40 and name  HE1) 3.255 1.325 1.325 weight 1.000 ! spec=2doesy, no=325, id=1646, vol=1.188000e+05
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   40 and name  HE1)
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   21 and name  HE2) 3.614 1.633 1.633 weight 1.000 ! spec=2doesy, no=331, id=1648, vol=6.344000e+04
assign (segid "    " and resid   28 and name  HE1) (segid "    " and resid   28 and name   HA) 3.604 1.623 1.623 weight 1.000 ! spec=2doesy, no=334, id=1651, vol=6.455000e+04
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   28 and name   HA)
assign (segid "    " and resid   44 and name  HD1) (segid "    " and resid   44 and name   HA) 2.929 1.072 1.072 weight 1.000 ! spec=2doesy, no=341, id=1652, vol=2.239000e+05
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   44 and name   HA)
assign (segid "    " and resid   28 and name  HE1) (segid "    " and resid   46 and name   HA) 3.573 1.596 1.596 weight 1.000 ! spec=2doesy, no=344, id=1653, vol=6.788000e+04
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   46 and name   HA)
assign (segid "    " and resid   42 and name  HE1) (segid "    " and resid   42 and name   HA) 3.301 1.362 1.362 weight 1.000 ! spec=2doesy, no=351, id=1655, vol=1.092000e+05
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   42 and name   HA)
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   42 and name  HD1) 2.760 0.952 0.952 weight 1.000 ! spec=2doesy, no=352, id=1656, vol=3.199000e+05
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   42 and name   HA)
assign (segid "    " and resid   55 and name  HD1) (segid "    " and resid   55 and name   HA) 3.453 1.490 1.490 weight 1.000 ! spec=2doesy, no=355, id=1658, vol=8.343000e+04
assign (segid "    " and resid   55 and name  HE3) (segid "    " and resid   55 and name   HA) 2.731 0.932 0.932 weight 1.000 ! spec=2doesy, no=356, id=1659, vol=3.406000e+05
assign (segid "    " and resid   55 and name  HZ3) (segid "    " and resid   55 and name   HA) 3.752 1.760 1.760 weight 1.000 ! spec=2doesy, no=357, id=1660, vol=5.068000e+04
assign (segid "    " and resid   42 and name  HE1) (segid "    " and resid   66 and name   HA) 2.318 0.671 0.671 weight 1.000 ! spec=2doesy, no=361, id=1661, vol=9.123000e+05
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   66 and name   HA)
assign (segid "    " and resid   42 and name  HD1) (segid "    " and resid   66 and name   HA) 2.839 1.008 1.008 weight 1.000 ! spec=2doesy, no=364, id=1664, vol=2.699000e+05
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   66 and name   HA)
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   60 and name   HA) 3.905 1.906 1.906 weight 1.000 ! spec=2doesy, no=370, id=1667, vol=3.989000e+04
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   60 and name   HA)
assign (segid "    " and resid   42 and name  HD1) (segid "    " and resid   41 and name   HA) 3.469 1.504 1.504 weight 1.000 ! spec=2doesy, no=373, id=1668, vol=8.115000e+04
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   41 and name   HA)
assign (segid "    " and resid   42 and name  HE1) (segid "    " and resid   41 and name   HA) 3.892 1.894 1.894 weight 1.000 ! spec=2doesy, no=375, id=1670, vol=4.065000e+04
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   41 and name   HA)
assign (segid "    " and resid   38 and name  HD2) (segid "    " and resid   38 and name   HA) 3.553 1.578 1.578 weight 1.000 ! spec=2doesy, no=376, id=1671, vol=7.022000e+04
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   29 and name   HA) 3.949 1.949 1.949 weight 1.000 ! spec=2doesy, no=380, id=1672, vol=3.728000e+04
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   29 and name   HA)
assign (segid "    " and resid   44 and name  HD1) (segid "    " and resid   29 and name   HA) 3.576 1.598 1.598 weight 1.000 ! spec=2doesy, no=381, id=1673, vol=6.765000e+04
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   29 and name   HA)
assign (segid "    " and resid   38 and name  HD2) (segid "    " and resid   39 and name   HA) 3.651 1.666 1.666 weight 1.000 ! spec=2doesy, no=382, id=1674, vol=5.969000e+04
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   22 and name   HA) 3.893 1.895 1.895 weight 1.000 ! spec=2doesy, no=387, id=1677, vol=4.060000e+04
assign (segid "    " and resid   28 and name  HE1) (segid "    " and resid   15 and name   HA) 3.882 1.884 1.884 weight 1.000 ! spec=2doesy, no=390, id=1679, vol=4.129000e+04
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   15 and name   HA)
assign (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   82 and name   HA) 4.005 2.005 2.005 weight 1.000 ! spec=2doesy, no=395, id=1680, vol=3.423000e+04
assign (segid "    " and resid   42 and name  HE1) (segid "    " and resid   40 and name   HA) 3.452 1.489 1.489 weight 1.000 ! spec=2doesy, no=398, id=1681, vol=8.359000e+04
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   40 and name   HA)
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   51 and name   HA) 3.246 1.317 1.317 weight 1.000 ! spec=2doesy, no=401, id=1683, vol=1.208000e+05
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   23 and name  HD1) 2.654 0.880 0.880 weight 1.000 ! spec=2doesy, no=404, id=1684, vol=4.048000e+05
    or (segid "    " and resid   51 and name  HB1) (segid "    " and resid   23 and name  HD1)
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   27 and name  HB2) 3.589 1.611 1.611 weight 1.000 ! spec=2doesy, no=413, id=1690, vol=6.609000e+04
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   27 and name  HB2)
assign (segid "    " and resid   55 and name  HH2) (segid "    " and resid   27 and name  HB2) 3.421 1.463 1.463 weight 1.000 ! spec=2doesy, no=414, id=1691, vol=8.824000e+04
assign (segid "    " and resid   28 and name  HD1) (segid "    " and resid   27 and name  HB1) 3.855 1.858 1.858 weight 1.000 ! spec=2doesy, no=418, id=1694, vol=4.305000e+04
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   27 and name  HB1)
assign (segid "    " and resid   55 and name  HH2) (segid "    " and resid   27 and name  HB1) 3.138 1.231 1.231 weight 1.000 ! spec=2doesy, no=420, id=1696, vol=1.481000e+05
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   24 and name  HD2) 3.017 1.138 1.138 weight 1.000 ! spec=2doesy, no=426, id=1700, vol=1.873000e+05
assign (segid "    " and resid   28 and name  HE1) (segid "    " and resid   26 and name  HD2) 3.500 1.531 1.531 weight 1.000 ! spec=2doesy, no=427, id=1701, vol=7.686000e+04
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   26 and name  HD1)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   26 and name  HD2)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   26 and name  HD1)
assign (segid "    " and resid   71 and name   HA) (segid "    " and resid   28 and name  HD1) 2.965 1.099 1.099 weight 1.000 ! spec=2doesy, no=428, id=1702, vol=2.082000e+05
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   71 and name   HA)
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   24 and name  HD1) 3.137 1.230 1.230 weight 1.000 ! spec=2doesy, no=430, id=1704, vol=1.482000e+05
assign (segid "    " and resid   55 and name  HZ3) (segid "    " and resid   49 and name   HA) 3.950 1.950 1.950 weight 1.000 ! spec=2doesy, no=433, id=1706, vol=3.723000e+04
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   50 and name   HB) 3.901 1.902 1.902 weight 1.000 ! spec=2doesy, no=435, id=1707, vol=4.012000e+04
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   38 and name  HD2) 2.845 1.012 1.012 weight 1.000 ! spec=2doesy, no=439, id=1708, vol=2.665000e+05
assign (segid "    " and resid   55 and name  HZ2) (segid "    " and resid   55 and name  HZ3) 3.146 1.237 1.237 weight 1.000 ! spec=2doesy, no=440, id=1709, vol=1.457000e+05
assign (segid "    " and resid   55 and name  HH2) (segid "    " and resid   55 and name  HZ3) 2.426 0.736 0.736 weight 1.000 ! spec=2doesy, no=441, id=1710, vol=6.937000e+05
assign (segid "    " and resid   55 and name  HE3) (segid "    " and resid   55 and name  HZ3) 2.456 0.754 0.754 weight 1.000 ! spec=2doesy, no=442, id=1711, vol=6.442000e+05
assign (segid "    " and resid   28 and name  HD1) (segid "    " and resid   28 and name  HE1) 2.097 0.550 0.550 weight 1.000 ! spec=2doesy, no=444, id=1713, vol=1.660000e+06
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   28 and name  HE2)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   28 and name  HE1)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   28 and name  HE2)
assign (segid "    " and resid   55 and name  HZ2) (segid "    " and resid   55 and name  HH2) 2.232 0.623 0.623 weight 1.000 ! spec=2doesy, no=448, id=1716, vol=1.144000e+06
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   23 and name  HZ3) 2.351 0.691 0.691 weight 1.000 ! spec=2doesy, no=464, id=1726, vol=8.366000e+05
assign (segid "    " and resid   42 and name  HD1) (segid "    " and resid   70 and name   HA) 3.747 1.755 1.755 weight 1.000 ! spec=2doesy, no=477, id=1728, vol=5.106000e+04
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   70 and name   HA)
assign (segid "    " and resid   55 and name  HE3) (segid "    " and resid   47 and name   HA) 3.806 1.811 1.811 weight 1.000 ! spec=2doesy, no=485, id=1731, vol=4.651000e+04
assign (segid "    " and resid   28 and name  HD1) (segid "    " and resid   46 and name   HA) 3.137 1.230 1.230 weight 1.000 ! spec=2doesy, no=487, id=1733, vol=1.483000e+05
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   46 and name   HA)
assign (segid "    " and resid   55 and name  HZ3) (segid "    " and resid   55 and name  HB2) 4.049 2.049 2.049 weight 1.000 ! spec=2doesy, no=493, id=1734, vol=3.208000e+04
assign (segid "    " and resid   28 and name  HD1) (segid "    " and resid   46 and name HG22) 3.212 1.289 1.289 weight 1.000 ! spec=2doesy, no=522, id=1740, vol=1.288000e+05
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   46 and name HG23)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   46 and name HG22)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   46 and name HG23)
assign (segid "    " and resid   23 and name  HH2) (segid "    " and resid   82 and name   HG) 3.994 1.994 1.994 weight 1.000 ! spec=2doesy, no=524, id=1742, vol=3.481000e+04
assign (segid "    " and resid   55 and name  HZ2) (segid "    " and resid   47 and name  HB2) 3.825 1.829 1.829 weight 1.000 ! spec=2doesy, no=527, id=1744, vol=4.512000e+04
    or (segid "    " and resid   55 and name  HZ2) (segid "    " and resid   47 and name  HB1)
assign (segid "    " and resid   38 and name  HE1) (segid "    " and resid   38 and name  HD2) 3.513 1.543 1.543 weight 1.000 ! spec=2doesy, no=539, id=1747, vol=7.521000e+04
assign (segid "    " and resid   56 and name   HB) (segid "    " and resid   56 and name   HA) 1.973 0.487 0.487 weight 1.000 ! spec=cnoesy, no=2, id=659, vol=6.699439e+06
assign (segid "    " and resid   85 and name   HB) (segid "    " and resid   85 and name   HN) 2.851 1.016 1.016 weight 1.000 ! spec=cnoesy, no=4, id=661, vol=7.356216e+05
assign (segid "    " and resid   43 and name   HB) (segid "    " and resid   43 and name   HA) 2.953 1.090 1.090 weight 1.000 ! spec=cnoesy, no=5, id=662, vol=5.959095e+05
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name   HB) 2.725 0.928 0.928 weight 1.000 ! spec=cnoesy, no=6, id=663, vol=9.660424e+05
assign (segid "    " and resid   43 and name   HB) (segid "    " and resid   32 and name  HB1) 2.217 0.614 0.614 weight 1.000 ! spec=cnoesy, no=8, id=665, vol=3.333835e+06
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid   23 and name  HZ2) 2.567 0.824 0.824 weight 1.000 ! spec=cnoesy, no=10, id=667, vol=1.380324e+06
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid   50 and name HG21) 2.049 0.525 0.525 weight 1.000 ! spec=cnoesy, no=13, id=670, vol=5.339572e+06
    or (segid "    " and resid   50 and name   HB) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   50 and name   HB) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid   66 and name   HA) 2.410 0.726 0.726 weight 1.000 ! spec=cnoesy, no=14, id=671, vol=2.015810e+06
assign (segid "    " and resid   66 and name  HB1) (segid "    " and resid   66 and name   HA) 2.535 0.803 0.803 weight 1.000 ! spec=cnoesy, no=16, id=673, vol=1.490297e+06
assign (segid "    " and resid   66 and name  HB2) (segid "    " and resid   66 and name  HB1) 1.959 0.480 0.480 weight 1.000 ! spec=cnoesy, no=17, id=674, vol=6.993601e+06
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   76 and name   HA) 2.794 0.976 0.976 weight 1.000 ! spec=cnoesy, no=18, id=675, vol=8.314821e+05
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name   HA) 2.407 0.724 0.724 weight 1.000 ! spec=cnoesy, no=19, id=676, vol=2.031792e+06
assign (segid "    " and resid   76 and name   HA) (segid "    " and resid   76 and name   HB) 2.417 0.730 0.730 weight 1.000 ! spec=cnoesy, no=21, id=678, vol=1.981130e+06
assign (segid "    " and resid   76 and name   HA) (segid "    " and resid   79 and name  HB2) 2.445 0.747 0.747 weight 1.000 ! spec=cnoesy, no=24, id=681, vol=1.849804e+06
assign (segid "    " and resid   67 and name   HA) (segid "    " and resid   67 and name   HB) 2.533 0.802 0.802 weight 1.000 ! spec=cnoesy, no=26, id=683, vol=1.497719e+06
assign (segid "    " and resid   67 and name   HA) (segid "    " and resid   67 and name HG12) 1.992 0.496 0.496 weight 1.000 ! spec=cnoesy, no=27, id=684, vol=6.325617e+06
    or (segid "    " and resid   67 and name   HA) (segid "    " and resid   67 and name HG11)
    or (segid "    " and resid   67 and name   HA) (segid "    " and resid   67 and name HG13)
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name   HA) 2.326 0.676 0.676 weight 1.000 ! spec=cnoesy, no=28, id=685, vol=2.497842e+06
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name HG12) 2.339 0.684 0.684 weight 1.000 ! spec=cnoesy, no=29, id=686, vol=2.414763e+06
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name   HB) 2.504 0.784 0.784 weight 1.000 ! spec=cnoesy, no=30, id=687, vol=1.604562e+06
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name HD12) 2.172 0.590 0.590 weight 1.000 ! spec=cnoesy, no=33, id=690, vol=3.762105e+06
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name HD11)
    or (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name HD13)
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   27 and name  HB2) 2.965 1.099 1.099 weight 1.000 ! spec=cnoesy, no=34, id=691, vol=5.816087e+05
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name  HB2) 2.859 1.022 1.022 weight 1.000 ! spec=cnoesy, no=35, id=692, vol=7.232946e+05
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HN) 2.414 0.728 0.728 weight 1.000 ! spec=cnoesy, no=36, id=693, vol=1.997500e+06
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   55 and name  HZ3) 2.665 0.888 0.888 weight 1.000 ! spec=cnoesy, no=37, id=694, vol=1.102817e+06
assign (segid "    " and resid   27 and name  HB2) (segid "    " and resid   27 and name   HA) 2.391 0.715 0.715 weight 1.000 ! spec=cnoesy, no=38, id=695, vol=2.114614e+06
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   55 and name  HZ3) 2.604 0.848 0.848 weight 1.000 ! spec=cnoesy, no=40, id=696, vol=1.266907e+06
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   28 and name   HN) 3.006 1.129 1.129 weight 1.000 ! spec=cnoesy, no=41, id=697, vol=5.362478e+05
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HN) 2.400 0.720 0.720 weight 1.000 ! spec=cnoesy, no=42, id=698, vol=2.070998e+06
assign (segid "    " and resid   27 and name  HB1) (segid "    " and resid   27 and name   HA) 2.367 0.700 0.700 weight 1.000 ! spec=cnoesy, no=43, id=699, vol=2.248226e+06
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name   HA) 2.636 0.869 0.869 weight 1.000 ! spec=cnoesy, no=44, id=700, vol=1.177753e+06
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name   HB) 2.415 0.729 0.729 weight 1.000 ! spec=cnoesy, no=45, id=701, vol=1.993254e+06
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name HG12) 2.029 0.514 0.514 weight 1.000 ! spec=cnoesy, no=46, id=702, vol=5.671912e+06
    or (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name HG11)
    or (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name HG13)
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   42 and name  HD1) 5.124 3.282 3.282 weight 1.000 ! spec=cnoesy, no=47, id=703, vol=2.184000e+04
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   65 and name  HB2) 2.096 0.549 0.549 weight 1.000 ! spec=cnoesy, no=48, id=704, vol=4.668211e+06
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   41 and name   HA) 2.595 0.841 0.841 weight 1.000 ! spec=cnoesy, no=50, id=706, vol=1.295928e+06
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name   HA) 2.004 0.502 0.502 weight 1.000 ! spec=cnoesy, no=51, id=707, vol=6.106724e+06
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   48 and name   HA) 2.467 0.761 0.761 weight 1.000 ! spec=cnoesy, no=52, id=708, vol=1.754389e+06
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   26 and name  HB1) 2.615 0.855 0.855 weight 1.000 ! spec=cnoesy, no=54, id=709, vol=1.236823e+06
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   73 and name   HA) 2.528 0.799 0.799 weight 1.000 ! spec=cnoesy, no=57, id=712, vol=1.513604e+06
assign (segid "    " and resid   73 and name   HA) (segid "    " and resid   74 and name   HN) 2.878 1.036 1.036 weight 1.000 ! spec=cnoesy, no=58, id=713, vol=6.950669e+05
assign (segid "    " and resid   85 and name   HA) (segid "    " and resid   85 and name HG21) 2.380 0.708 0.708 weight 1.000 ! spec=cnoesy, no=62, id=717, vol=2.176191e+06
    or (segid "    " and resid   85 and name   HA) (segid "    " and resid   85 and name HG22)
    or (segid "    " and resid   85 and name   HA) (segid "    " and resid   85 and name HG23)
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name   HA) 2.928 1.072 1.072 weight 1.000 ! spec=cnoesy, no=63, id=718, vol=6.275553e+05
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name   HA) 2.243 0.629 0.629 weight 1.000 ! spec=cnoesy, no=67, id=722, vol=3.106089e+06
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   36 and name   HA) 2.893 1.046 1.046 weight 1.000 ! spec=cnoesy, no=70, id=724, vol=6.749243e+05
assign (segid "    " and resid   36 and name   HA) (segid "    " and resid   36 and name  HB2) 2.052 0.526 0.526 weight 1.000 ! spec=cnoesy, no=71, id=725, vol=5.291125e+06
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HB1) 2.100 0.551 0.551 weight 1.000 ! spec=cnoesy, no=74, id=728, vol=4.604748e+06
assign (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name HG21) 2.378 0.707 0.707 weight 1.000 ! spec=cnoesy, no=77, id=730, vol=2.188511e+06
    or (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name HG22)
    or (segid "    " and resid   43 and name   HA) (segid "    " and resid   43 and name HG23)
assign (segid "    " and resid   24 and name   HA) (segid "    " and resid   24 and name  HB2) 2.110 0.556 0.556 weight 1.000 ! spec=cnoesy, no=78, id=731, vol=4.481335e+06
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name   HA) 2.641 0.872 0.872 weight 1.000 ! spec=cnoesy, no=79, id=732, vol=1.164849e+06
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name   HA) 1.987 0.494 0.494 weight 1.000 ! spec=cnoesy, no=80, id=733, vol=6.417480e+06
assign (segid "    " and resid   56 and name   HA) (segid "    " and resid   56 and name HG21) 2.074 0.538 0.538 weight 1.000 ! spec=cnoesy, no=83, id=735, vol=4.960717e+06
    or (segid "    " and resid   56 and name   HA) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   56 and name   HA) (segid "    " and resid   56 and name HG23)
assign (segid "    " and resid   74 and name   HN) (segid "    " and resid   71 and name   HA) 3.022 1.141 1.141 weight 1.000 ! spec=cnoesy, no=86, id=738, vol=5.194402e+05
assign (segid "    " and resid   71 and name   HA) (segid "    " and resid   74 and name  HB2) 2.604 0.848 0.848 weight 1.000 ! spec=cnoesy, no=88, id=740, vol=1.267339e+06
    or (segid "    " and resid   71 and name   HA) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   71 and name   HA) (segid "    " and resid   74 and name  HB3)
assign (segid "    " and resid   71 and name   HA) (segid "    " and resid   71 and name  HB2) 2.764 0.955 0.955 weight 1.000 ! spec=cnoesy, no=89, id=741, vol=8.857276e+05
assign (segid "    " and resid   71 and name   HA) (segid "    " and resid   71 and name  HG1) 2.501 0.782 0.782 weight 1.000 ! spec=cnoesy, no=91, id=743, vol=1.616440e+06
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name   HA) 2.577 0.830 0.830 weight 1.000 ! spec=cnoesy, no=92, id=744, vol=1.348671e+06
assign (segid "    " and resid   71 and name   HA) (segid "    " and resid   28 and name  HD1) 2.700 0.911 0.911 weight 1.000 ! spec=cnoesy, no=93, id=745, vol=1.020213e+06
assign (segid "    " and resid   71 and name   HA) (segid "    " and resid   71 and name  HB1) 2.511 0.788 0.788 weight 1.000 ! spec=cnoesy, no=95, id=747, vol=1.577498e+06
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   50 and name   HA) 2.842 1.010 1.010 weight 1.000 ! spec=cnoesy, no=96, id=748, vol=7.502613e+05
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   50 and name   HA) 2.038 0.519 0.519 weight 1.000 ! spec=cnoesy, no=97, id=749, vol=5.513610e+06
assign (segid "    " and resid   50 and name   HB) (segid "    " and resid   50 and name   HA) 2.106 0.555 0.555 weight 1.000 ! spec=cnoesy, no=99, id=751, vol=4.526293e+06
assign (segid "    " and resid   50 and name   HA) (segid "    " and resid   50 and name HG21) 2.198 0.604 0.604 weight 1.000 ! spec=cnoesy, no=100, id=752, vol=3.510245e+06
    or (segid "    " and resid   50 and name   HA) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   50 and name   HA) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   60 and name   HA) (segid "    " and resid   60 and name HG22) 2.306 0.665 0.665 weight 1.000 ! spec=cnoesy, no=101, id=753, vol=2.631456e+06
    or (segid "    " and resid   60 and name   HA) (segid "    " and resid   60 and name HG21)
    or (segid "    " and resid   60 and name   HA) (segid "    " and resid   60 and name HG23)
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name   HA) 2.553 0.815 0.815 weight 1.000 ! spec=cnoesy, no=102, id=754, vol=1.427169e+06
assign (segid "    " and resid   68 and name   HA) (segid "    " and resid   68 and name  HB1) 2.117 0.560 0.560 weight 1.000 ! spec=cnoesy, no=103, id=755, vol=4.389447e+06
assign (segid "    " and resid   68 and name   HA) (segid "    " and resid   68 and name  HG1) 2.707 0.916 0.916 weight 1.000 ! spec=cnoesy, no=104, id=756, vol=1.005137e+06
assign (segid "    " and resid   51 and name   HA) (segid "    " and resid   51 and name   HN) 2.438 0.743 0.743 weight 1.000 ! spec=cnoesy, no=105, id=757, vol=1.880863e+06
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   83 and name   HN) 2.771 0.960 0.960 weight 1.000 ! spec=cnoesy, no=107, id=759, vol=8.732652e+05
assign (segid "    " and resid   80 and name   HA) (segid "    " and resid   80 and name  HB1) 2.018 0.509 0.509 weight 1.000 ! spec=cnoesy, no=109, id=761, vol=5.846969e+06
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name   HA) 1.984 0.492 0.492 weight 1.000 ! spec=cnoesy, no=110, id=762, vol=6.473862e+06
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   46 and name HG22) 2.917 1.063 1.063 weight 1.000 ! spec=cnoesy, no=113, id=765, vol=6.423631e+05
    or (segid "    " and resid   46 and name   HA) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   46 and name   HA) (segid "    " and resid   46 and name HG23)
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   46 and name HG12) 2.127 0.565 0.565 weight 1.000 ! spec=cnoesy, no=114, id=766, vol=4.275173e+06
    or (segid "    " and resid   46 and name   HA) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   46 and name   HA) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name   HA) 2.456 0.754 0.754 weight 1.000 ! spec=cnoesy, no=116, id=768, vol=1.799920e+06
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name   HA) 2.220 0.616 0.616 weight 1.000 ! spec=cnoesy, no=118, id=770, vol=3.299241e+06
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name   HA) 2.670 0.891 0.891 weight 1.000 ! spec=cnoesy, no=119, id=771, vol=1.091997e+06
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name   HA) 2.415 0.729 0.729 weight 1.000 ! spec=cnoesy, no=122, id=774, vol=1.992646e+06
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   44 and name   HA) 2.419 0.732 0.732 weight 1.000 ! spec=cnoesy, no=127, id=779, vol=1.970998e+06
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name   HA) 2.219 0.616 0.616 weight 1.000 ! spec=cnoesy, no=128, id=780, vol=3.308516e+06
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HB2) 2.560 0.819 0.819 weight 1.000 ! spec=cnoesy, no=129, id=781, vol=1.405511e+06
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name   HA) 2.704 0.914 0.914 weight 1.000 ! spec=cnoesy, no=133, id=784, vol=1.011843e+06
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name   HA) 2.276 0.647 0.647 weight 1.000 ! spec=cnoesy, no=136, id=787, vol=2.844614e+06
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB1) 1.946 0.473 0.473 weight 1.000 ! spec=cnoesy, no=138, id=789, vol=7.275063e+06
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name   HA) 2.787 0.971 0.971 weight 1.000 ! spec=cnoesy, no=140, id=791, vol=8.434523e+05
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name   HA) 2.074 0.538 0.538 weight 1.000 ! spec=cnoesy, no=142, id=793, vol=4.961944e+06
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name   HA) 2.783 0.968 0.968 weight 1.000 ! spec=cnoesy, no=143, id=794, vol=8.514107e+05
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name  HD1) 2.527 0.799 0.799 weight 1.000 ! spec=cnoesy, no=144, id=795, vol=1.516536e+06
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   46 and name HG12) 2.610 0.852 0.852 weight 1.000 ! spec=cnoesy, no=147, id=798, vol=1.249773e+06
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name   HA) 2.307 0.665 0.665 weight 1.000 ! spec=cnoesy, no=148, id=799, vol=2.622574e+06
assign (segid "    " and resid   78 and name   HA) (segid "    " and resid   78 and name  HB2) 2.273 0.646 0.646 weight 1.000 ! spec=cnoesy, no=149, id=800, vol=2.866715e+06
assign (segid "    " and resid   78 and name   HA) (segid "    " and resid   78 and name  HB1) 2.473 0.765 0.765 weight 1.000 ! spec=cnoesy, no=150, id=801, vol=1.728081e+06
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   16 and name  HB2) 2.215 0.613 0.613 weight 1.000 ! spec=cnoesy, no=154, id=805, vol=3.349647e+06
assign (segid "    " and resid   82 and name   HA) (segid "    " and resid   82 and name HD12) 1.658 0.343 0.343 weight 1.000 ! spec=cnoesy, no=157, id=807, vol=1.906178e+07
    or (segid "    " and resid   82 and name   HA) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   82 and name   HA) (segid "    " and resid   82 and name HD13)
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name   HA) 2.134 0.569 0.569 weight 1.000 ! spec=cnoesy, no=158, id=808, vol=4.181968e+06
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   42 and name  HB2) 2.353 0.692 0.692 weight 1.000 ! spec=cnoesy, no=159, id=809, vol=2.329927e+06
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   42 and name  HB1) 2.512 0.789 0.789 weight 1.000 ! spec=cnoesy, no=160, id=810, vol=1.571956e+06
assign (segid "    " and resid   42 and name   HA) (segid "    " and resid   42 and name  HD1) 2.807 0.985 0.985 weight 1.000 ! spec=cnoesy, no=161, id=811, vol=8.090078e+05
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   84 and name   HA) 2.094 0.548 0.548 weight 1.000 ! spec=cnoesy, no=162, id=812, vol=4.686707e+06
assign (segid "    " and resid   84 and name   HA) (segid "    " and resid   84 and name  HG1) 2.162 0.584 0.584 weight 1.000 ! spec=cnoesy, no=164, id=814, vol=3.874095e+06
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   15 and name   HA) 2.637 0.869 0.869 weight 1.000 ! spec=cnoesy, no=166, id=816, vol=1.176416e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   18 and name  HB2) 2.621 0.858 0.858 weight 1.000 ! spec=cnoesy, no=167, id=817, vol=1.220697e+06
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HT3) 2.489 0.775 0.775 weight 1.000 ! spec=cnoesy, no=169, id=819, vol=1.661781e+06
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HT2)
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HT1)
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name   HA) 2.134 0.569 0.569 weight 1.000 ! spec=cnoesy, no=170, id=820, vol=4.183119e+06
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   44 and name   HA) 2.429 0.738 0.738 weight 1.000 ! spec=cnoesy, no=171, id=821, vol=1.922889e+06
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   38 and name  HB2) 2.100 0.551 0.551 weight 1.000 ! spec=cnoesy, no=174, id=823, vol=4.605644e+06
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name   HA) 2.048 0.524 0.524 weight 1.000 ! spec=cnoesy, no=176, id=825, vol=5.358495e+06
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   32 and name   HA) 2.323 0.675 0.675 weight 1.000 ! spec=cnoesy, no=177, id=826, vol=2.514016e+06
assign (segid "    " and resid   32 and name   HA) (segid "    " and resid   32 and name  HG2) 2.475 0.766 0.766 weight 1.000 ! spec=cnoesy, no=178, id=827, vol=1.719994e+06
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name   HA) 2.575 0.829 0.829 weight 1.000 ! spec=cnoesy, no=179, id=828, vol=1.356903e+06
assign (segid "    " and resid   40 and name   HA) (segid "    " and resid   40 and name  HD2) 2.281 0.651 0.651 weight 1.000 ! spec=cnoesy, no=180, id=829, vol=2.803394e+06
assign (segid "    " and resid   40 and name   HA) (segid "    " and resid   40 and name  HB1) 2.216 0.614 0.614 weight 1.000 ! spec=cnoesy, no=181, id=830, vol=3.337132e+06
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HB2) 3.349 1.402 1.402 weight 1.000 ! spec=cnoesy, no=182, id=831, vol=2.804000e+05
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HG2) 2.061 0.531 0.531 weight 1.000 ! spec=cnoesy, no=183, id=832, vol=5.157874e+06
assign (segid "    " and resid   57 and name   HA) (segid "    " and resid   57 and name   HN) 2.224 0.618 0.618 weight 1.000 ! spec=cnoesy, no=185, id=834, vol=3.264709e+06
assign (segid "    " and resid   57 and name   HA) (segid "    " and resid   57 and name  HB2) 2.140 0.573 0.573 weight 1.000 ! spec=cnoesy, no=186, id=835, vol=4.111278e+06
assign (segid "    " and resid   70 and name   HA) (segid "    " and resid   64 and name  HG2) 2.324 0.675 0.675 weight 1.000 ! spec=cnoesy, no=188, id=837, vol=2.511691e+06
assign (segid "    " and resid   70 and name   HA) (segid "    " and resid   64 and name  HG1) 2.337 0.683 0.683 weight 1.000 ! spec=cnoesy, no=189, id=838, vol=2.424953e+06
assign (segid "    " and resid   70 and name   HA) (segid "    " and resid   70 and name  HB2) 2.052 0.526 0.526 weight 1.000 ! spec=cnoesy, no=190, id=839, vol=5.301456e+06
    or (segid "    " and resid   70 and name   HA) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   70 and name   HA) (segid "    " and resid   70 and name  HB3)
assign (segid "    " and resid   74 and name   HN) (segid "    " and resid   74 and name   HA) 2.451 0.751 0.751 weight 1.000 ! spec=cnoesy, no=191, id=840, vol=1.822260e+06
assign (segid "    " and resid   74 and name   HA) (segid "    " and resid   61 and name  HA2) 2.134 0.569 0.569 weight 1.000 ! spec=cnoesy, no=192, id=841, vol=4.186516e+06
assign (segid "    " and resid   74 and name   HA) (segid "    " and resid   74 and name  HB2) 1.805 0.407 0.407 weight 1.000 ! spec=cnoesy, no=193, id=842, vol=1.143512e+07
    or (segid "    " and resid   74 and name   HA) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   74 and name   HA) (segid "    " and resid   74 and name  HB3)
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   75 and name   HA) 2.188 0.599 0.599 weight 1.000 ! spec=cnoesy, no=194, id=843, vol=3.601484e+06
assign (segid "    " and resid   75 and name   HA) (segid "    " and resid   78 and name HD22) 2.029 0.515 0.515 weight 1.000 ! spec=cnoesy, no=195, id=844, vol=5.658491e+06
    or (segid "    " and resid   75 and name   HA) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   75 and name   HA) (segid "    " and resid   78 and name HD23)
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   75 and name   HA) 2.886 1.041 1.041 weight 1.000 ! spec=cnoesy, no=196, id=845, vol=6.847980e+05
assign (segid "    " and resid   75 and name   HA) (segid "    " and resid   78 and name  HB2) 2.246 0.631 0.631 weight 1.000 ! spec=cnoesy, no=197, id=846, vol=3.078626e+06
assign (segid "    " and resid   75 and name   HA) (segid "    " and resid   78 and name  HB1) 2.451 0.751 0.751 weight 1.000 ! spec=cnoesy, no=198, id=847, vol=1.825242e+06
assign (segid "    " and resid   75 and name   HA) (segid "    " and resid   46 and name HG22) 2.128 0.566 0.566 weight 1.000 ! spec=cnoesy, no=199, id=848, vol=4.260478e+06
    or (segid "    " and resid   75 and name   HA) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   75 and name   HA) (segid "    " and resid   46 and name HG23)
assign (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name  HB2) 1.993 0.496 0.496 weight 1.000 ! spec=cnoesy, no=200, id=849, vol=6.310202e+06
    or (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name  HB1)
    or (segid "    " and resid   37 and name   HA) (segid "    " and resid   37 and name  HB3)
assign (segid "    " and resid   52 and name   HA) (segid "    " and resid   52 and name  HB2) 1.880 0.442 0.442 weight 1.000 ! spec=cnoesy, no=202, id=851, vol=8.940562e+06
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name   HA) 2.157 0.582 0.582 weight 1.000 ! spec=cnoesy, no=203, id=852, vol=3.924120e+06
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   78 and name HD12) 2.428 0.737 0.737 weight 1.000 ! spec=cnoesy, no=205, id=854, vol=1.927528e+06
    or (segid "    " and resid   47 and name   HA) (segid "    " and resid   78 and name HD11)
    or (segid "    " and resid   47 and name   HA) (segid "    " and resid   78 and name HD13)
assign (segid "    " and resid   29 and name   HA) (segid "    " and resid   29 and name  HB1) 2.276 0.648 0.648 weight 1.000 ! spec=cnoesy, no=206, id=855, vol=2.843051e+06
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name   HA) 2.718 0.924 0.924 weight 1.000 ! spec=cnoesy, no=208, id=857, vol=9.798055e+05
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name   HA) 2.284 0.652 0.652 weight 1.000 ! spec=cnoesy, no=211, id=860, vol=2.786957e+06
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HD1) 2.203 0.606 0.606 weight 1.000 ! spec=cnoesy, no=212, id=861, vol=3.462947e+06
assign (segid "    " and resid   21 and name   HA) (segid "    " and resid   21 and name  HD2) 2.416 0.730 0.730 weight 1.000 ! spec=cnoesy, no=214, id=863, vol=1.985844e+06
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   33 and name   HA) 2.223 0.618 0.618 weight 1.000 ! spec=cnoesy, no=215, id=864, vol=3.274107e+06
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   62 and name  HB2) 3.918 1.919 1.919 weight 1.000 ! spec=cnoesy, no=219, id=867, vol=1.093000e+05
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   22 and name   HA) 2.326 0.676 0.676 weight 1.000 ! spec=cnoesy, no=220, id=868, vol=2.494909e+06
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name   HA) 1.920 0.461 0.461 weight 1.000 ! spec=cnoesy, no=221, id=869, vol=7.904365e+06
assign (segid "    " and resid   22 and name   HA) (segid "    " and resid   22 and name  HB2) 2.180 0.594 0.594 weight 1.000 ! spec=cnoesy, no=222, id=870, vol=3.687874e+06
assign (segid "    " and resid   83 and name   HA) (segid "    " and resid   84 and name   HN) 2.494 0.778 0.778 weight 1.000 ! spec=cnoesy, no=224, id=872, vol=1.642173e+06
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   65 and name  HD2) 1.999 0.500 0.500 weight 1.000 ! spec=cnoesy, no=226, id=874, vol=6.194296e+06
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   65 and name  HD1) 2.218 0.615 0.615 weight 1.000 ! spec=cnoesy, no=227, id=875, vol=3.317027e+06
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   64 and name  HG1) 2.796 0.977 0.977 weight 1.000 ! spec=cnoesy, no=228, id=876, vol=8.280174e+05
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name   HA) 2.720 0.925 0.925 weight 1.000 ! spec=cnoesy, no=229, id=877, vol=9.754044e+05
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   64 and name  HG2) 2.691 0.905 0.905 weight 1.000 ! spec=cnoesy, no=230, id=878, vol=1.041595e+06
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name   HA) 2.667 0.889 0.889 weight 1.000 ! spec=cnoesy, no=232, id=880, vol=1.097992e+06
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HD1) 2.231 0.622 0.622 weight 1.000 ! spec=cnoesy, no=233, id=881, vol=3.208109e+06
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name  HD2) 1.959 0.480 0.480 weight 1.000 ! spec=cnoesy, no=234, id=882, vol=6.990270e+06
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB2) 2.368 0.701 0.701 weight 1.000 ! spec=cnoesy, no=235, id=883, vol=2.242052e+06
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   23 and name  HB1) 2.534 0.803 0.803 weight 1.000 ! spec=cnoesy, no=237, id=885, vol=1.492051e+06
assign (segid "    " and resid   65 and name  HD2) (segid "    " and resid   65 and name  HD1) 1.904 0.453 0.453 weight 1.000 ! spec=cnoesy, no=242, id=890, vol=8.291358e+06
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name   HA) 2.690 0.904 0.904 weight 1.000 ! spec=cnoesy, no=243, id=891, vol=1.044096e+06
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name   HA) 2.267 0.642 0.642 weight 1.000 ! spec=cnoesy, no=244, id=892, vol=2.913452e+06
assign (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name  HB2) 2.023 0.512 0.512 weight 1.000 ! spec=cnoesy, no=245, id=893, vol=5.760738e+06
    or (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name  HB1)
    or (segid "    " and resid   39 and name   HA) (segid "    " and resid   39 and name  HB3)
assign (segid "    " and resid   65 and name  HD2) (segid "    " and resid   65 and name  HB2) 2.795 0.977 0.977 weight 1.000 ! spec=cnoesy, no=246, id=894, vol=8.290237e+05
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   25 and name   HA) 2.310 0.667 0.667 weight 1.000 ! spec=cnoesy, no=247, id=895, vol=2.604487e+06
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   26 and name  HD2) 1.927 0.464 0.464 weight 1.000 ! spec=cnoesy, no=248, id=896, vol=7.720489e+06
assign (segid "    " and resid   26 and name  HD1) (segid "    " and resid   26 and name  HB1) 3.000 1.125 1.125 weight 1.000 ! spec=cnoesy, no=250, id=898, vol=5.421609e+05
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   55 and name   HA) 2.182 0.595 0.595 weight 1.000 ! spec=cnoesy, no=251, id=899, vol=3.662171e+06
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   49 and name  HB1) 2.535 0.803 0.803 weight 1.000 ! spec=cnoesy, no=253, id=901, vol=1.491381e+06
assign (segid "    " and resid   49 and name   HA) (segid "    " and resid   55 and name  HE3) 2.743 0.940 0.940 weight 1.000 ! spec=cnoesy, no=255, id=903, vol=9.290147e+05
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name   HA) 2.105 0.554 0.554 weight 1.000 ! spec=cnoesy, no=256, id=904, vol=4.547842e+06
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   63 and name  HD2) 2.072 0.537 0.537 weight 1.000 ! spec=cnoesy, no=258, id=905, vol=4.994871e+06
assign (segid "    " and resid   63 and name  HD2) (segid "    " and resid   62 and name  HB2) 3.747 1.755 1.755 weight 1.000 ! spec=cnoesy, no=259, id=906, vol=1.429000e+05
assign (segid "    " and resid   63 and name  HD1) (segid "    " and resid   62 and name   HA) 2.092 0.547 0.547 weight 1.000 ! spec=cnoesy, no=260, id=907, vol=4.718020e+06
assign (segid "    " and resid   24 and name  HD1) (segid "    " and resid   23 and name   HA) 2.296 0.659 0.659 weight 1.000 ! spec=cnoesy, no=261, id=908, vol=2.697298e+06
assign (segid "    " and resid   24 and name  HD1) (segid "    " and resid   23 and name  HB2) 2.779 0.965 0.965 weight 1.000 ! spec=cnoesy, no=262, id=909, vol=8.590823e+05
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name  HA2) 2.529 0.800 0.800 weight 1.000 ! spec=cnoesy, no=270, id=917, vol=1.510272e+06
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name  HA2) 2.365 0.699 0.699 weight 1.000 ! spec=cnoesy, no=272, id=919, vol=2.261193e+06
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name  HA2) 2.229 0.621 0.621 weight 1.000 ! spec=cnoesy, no=274, id=921, vol=3.220343e+06
assign (segid "    " and resid   54 and name  HA2) (segid "    " and resid   49 and name   HA) 2.675 0.895 0.895 weight 1.000 ! spec=cnoesy, no=275, id=922, vol=1.078028e+06
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   54 and name  HA1) 2.142 0.574 0.574 weight 1.000 ! spec=cnoesy, no=276, id=923, vol=4.092471e+06
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   54 and name  HA1) 2.231 0.622 0.622 weight 1.000 ! spec=cnoesy, no=277, id=924, vol=3.210410e+06
assign (segid "    " and resid   54 and name  HA2) (segid "    " and resid   54 and name  HA1) 1.766 0.390 0.390 weight 1.000 ! spec=cnoesy, no=278, id=925, vol=1.303280e+07
assign (segid "    " and resid   61 and name  HA2) (segid "    " and resid   74 and name  HB2) 2.859 1.022 1.022 weight 1.000 ! spec=cnoesy, no=279, id=926, vol=7.233641e+05
    or (segid "    " and resid   61 and name  HA2) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   61 and name  HA2) (segid "    " and resid   74 and name  HB3)
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name  HA2) 2.560 0.819 0.819 weight 1.000 ! spec=cnoesy, no=280, id=927, vol=1.403519e+06
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name  HA2) 2.361 0.697 0.697 weight 1.000 ! spec=cnoesy, no=281, id=928, vol=2.282964e+06
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   61 and name  HA1) 2.437 0.742 0.742 weight 1.000 ! spec=cnoesy, no=283, id=930, vol=1.887900e+06
assign (segid "    " and resid   61 and name  HA1) (segid "    " and resid   74 and name  HB2) 2.669 0.890 0.890 weight 1.000 ! spec=cnoesy, no=284, id=931, vol=1.094463e+06
    or (segid "    " and resid   61 and name  HA1) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   61 and name  HA1) (segid "    " and resid   74 and name  HB3)
assign (segid "    " and resid   34 and name  HA2) (segid "    " and resid   34 and name  HA1) 1.607 0.323 0.323 weight 1.000 ! spec=cnoesy, no=285, id=932, vol=2.298659e+07
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name  HA2) 2.324 0.675 0.675 weight 1.000 ! spec=cnoesy, no=287, id=934, vol=2.506580e+06
assign (segid "    " and resid   45 and name  HA2) (segid "    " and resid   60 and name   HA) 2.482 0.770 0.770 weight 1.000 ! spec=cnoesy, no=288, id=935, vol=1.690996e+06
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   35 and name  HA2) 2.039 0.519 0.519 weight 1.000 ! spec=cnoesy, no=294, id=940, vol=5.508616e+06
    or (segid "    " and resid   36 and name  HD1) (segid "    " and resid   35 and name  HA2)
assign (segid "    " and resid   35 and name  HA2) (segid "    " and resid   35 and name  HA1) 1.774 0.393 0.393 weight 1.000 ! spec=cnoesy, no=295, id=941, vol=1.268987e+07
assign (segid "    " and resid   45 and name  HA2) (segid "    " and resid   45 and name  HA1) 1.932 0.467 0.467 weight 1.000 ! spec=cnoesy, no=298, id=944, vol=7.603767e+06
assign (segid "    " and resid   45 and name  HA1) (segid "    " and resid   60 and name   HA) 2.559 0.819 0.819 weight 1.000 ! spec=cnoesy, no=299, id=945, vol=1.407355e+06
assign (segid "    " and resid   45 and name  HA1) (segid "    " and resid   60 and name HG11) 2.755 0.949 0.949 weight 1.000 ! spec=cnoesy, no=300, id=946, vol=9.047913e+05
assign (segid "    " and resid   45 and name  HA1) (segid "    " and resid   60 and name HD12) 2.385 0.711 0.711 weight 1.000 ! spec=cnoesy, no=301, id=947, vol=2.150353e+06
    or (segid "    " and resid   45 and name  HA1) (segid "    " and resid   60 and name HD11)
    or (segid "    " and resid   45 and name  HA1) (segid "    " and resid   60 and name HD13)
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name  HA1) 2.593 0.841 0.841 weight 1.000 ! spec=cnoesy, no=302, id=948, vol=1.300490e+06
assign (segid "    " and resid   45 and name  HA1) (segid "    " and resid   58 and name  HG2) 2.698 0.910 0.910 weight 1.000 ! spec=cnoesy, no=303, id=949, vol=1.026176e+06
    or (segid "    " and resid   45 and name  HA1) (segid "    " and resid   58 and name  HG1)
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   29 and name  HD1) 1.956 0.478 0.478 weight 1.000 ! spec=cnoesy, no=304, id=950, vol=7.060594e+06
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   29 and name  HG2) 2.860 1.022 1.022 weight 1.000 ! spec=cnoesy, no=305, id=951, vol=7.225886e+05
assign (segid "    " and resid   29 and name  HD2) (segid "    " and resid   29 and name  HG1) 2.912 1.060 1.060 weight 1.000 ! spec=cnoesy, no=306, id=952, vol=6.487374e+05
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   29 and name  HG1) 3.106 1.206 1.206 weight 1.000 ! spec=cnoesy, no=312, id=957, vol=4.403438e+05
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   29 and name  HG2) 2.311 0.668 0.668 weight 1.000 ! spec=cnoesy, no=313, id=958, vol=2.592511e+06
assign (segid "    " and resid   29 and name  HD1) (segid "    " and resid   29 and name  HB1) 2.126 0.565 0.565 weight 1.000 ! spec=cnoesy, no=314, id=959, vol=4.277878e+06
assign (segid "    " and resid   42 and name  HB1) (segid "    " and resid   42 and name  HD1) 4.291 2.302 2.302 weight 1.000 ! spec=cnoesy, no=318, id=963, vol=6.334000e+04
assign (segid "    " and resid   32 and name  HE1) (segid "    " and resid   32 and name  HG2) 2.377 0.706 0.706 weight 1.000 ! spec=cnoesy, no=325, id=969, vol=2.191433e+06
assign (segid "    " and resid   32 and name  HE1) (segid "    " and resid   32 and name  HG1) 2.479 0.768 0.768 weight 1.000 ! spec=cnoesy, no=326, id=970, vol=1.702378e+06
assign (segid "    " and resid   21 and name  HE1) (segid "    " and resid   21 and name  HD2) 2.630 0.865 0.865 weight 1.000 ! spec=cnoesy, no=327, id=971, vol=1.193693e+06
assign (segid "    " and resid   81 and name  HB2) (segid "    " and resid   82 and name   HN) 2.723 0.927 0.927 weight 1.000 ! spec=cnoesy, no=328, id=972, vol=9.697819e+05
assign (segid "    " and resid   81 and name  HB1) (segid "    " and resid   82 and name   HN) 2.583 0.834 0.834 weight 1.000 ! spec=cnoesy, no=331, id=974, vol=1.332120e+06
assign (segid "    " and resid   81 and name  HB1) (segid "    " and resid   81 and name   HA) 2.247 0.631 0.631 weight 1.000 ! spec=cnoesy, no=332, id=975, vol=3.073754e+06
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name  HB1) 2.579 0.831 0.831 weight 1.000 ! spec=cnoesy, no=333, id=976, vol=1.343740e+06
assign (segid "    " and resid   19 and name  HB1) (segid "    " and resid   16 and name   HA) 2.771 0.960 0.960 weight 1.000 ! spec=cnoesy, no=334, id=977, vol=8.738326e+05
assign (segid "    " and resid   40 and name  HE2) (segid "    " and resid   40 and name  HG1) 2.559 0.819 0.819 weight 1.000 ! spec=cnoesy, no=347, id=989, vol=1.407224e+06
assign (segid "    " and resid   21 and name  HE2) (segid "    " and resid   21 and name  HD2) 2.750 0.945 0.945 weight 1.000 ! spec=cnoesy, no=349, id=991, vol=9.144870e+05
assign (segid "    " and resid   21 and name  HE2) (segid "    " and resid   21 and name  HD1) 2.300 0.661 0.661 weight 1.000 ! spec=cnoesy, no=350, id=992, vol=2.670412e+06
assign (segid "    " and resid   21 and name  HE2) (segid "    " and resid   21 and name  HG1) 2.745 0.942 0.942 weight 1.000 ! spec=cnoesy, no=351, id=993, vol=9.241286e+05
assign (segid "    " and resid   21 and name  HE1) (segid "    " and resid   21 and name  HD1) 2.284 0.652 0.652 weight 1.000 ! spec=cnoesy, no=352, id=994, vol=2.786190e+06
assign (segid "    " and resid   21 and name  HE1) (segid "    " and resid   21 and name  HG1) 2.653 0.880 0.880 weight 1.000 ! spec=cnoesy, no=353, id=995, vol=1.134991e+06
assign (segid "    " and resid   81 and name  HB2) (segid "    " and resid   78 and name   HA) 2.739 0.938 0.938 weight 1.000 ! spec=cnoesy, no=354, id=996, vol=9.369354e+05
assign (segid "    " and resid   81 and name  HB2) (segid "    " and resid   81 and name   HG) 2.131 0.567 0.567 weight 1.000 ! spec=cnoesy, no=355, id=997, vol=4.227378e+06
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name  HB2) 2.234 0.624 0.624 weight 1.000 ! spec=cnoesy, no=356, id=998, vol=3.180323e+06
assign (segid "    " and resid   81 and name  HB2) (segid "    " and resid   81 and name   HA) 2.188 0.598 0.598 weight 1.000 ! spec=cnoesy, no=357, id=999, vol=3.605800e+06
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   77 and name  HB2) 2.497 0.780 0.780 weight 1.000 ! spec=cnoesy, no=359, id=1001, vol=1.630193e+06
assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   77 and name  HB1) 1.811 0.410 0.410 weight 1.000 ! spec=cnoesy, no=361, id=1003, vol=1.119366e+07
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name  HB1) 2.243 0.629 0.629 weight 1.000 ! spec=cnoesy, no=364, id=1005, vol=3.108356e+06
assign (segid "    " and resid   81 and name  HB1) (segid "    " and resid   78 and name   HA) 2.692 0.906 0.906 weight 1.000 ! spec=cnoesy, no=365, id=1006, vol=1.038868e+06
assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   79 and name  HB2) 2.614 0.854 0.854 weight 1.000 ! spec=cnoesy, no=368, id=1009, vol=1.240408e+06
assign (segid "    " and resid   79 and name  HB2) (segid "    " and resid   79 and name  HB1) 1.977 0.489 0.489 weight 1.000 ! spec=cnoesy, no=370, id=1011, vol=6.619210e+06
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name  HB2) 2.360 0.696 0.696 weight 1.000 ! spec=cnoesy, no=372, id=1013, vol=2.287410e+06
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name  HB2) 2.630 0.864 0.864 weight 1.000 ! spec=cnoesy, no=374, id=1015, vol=1.195272e+06
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name  HB2) 2.319 0.672 0.672 weight 1.000 ! spec=cnoesy, no=375, id=1016, vol=2.544573e+06
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name  HB1) 1.668 0.348 0.348 weight 1.000 ! spec=cnoesy, no=376, id=1017, vol=1.835337e+07
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   77 and name  HB1) 2.627 0.862 0.862 weight 1.000 ! spec=cnoesy, no=380, id=1021, vol=1.203990e+06
assign (segid "    " and resid   82 and name  HB1) (segid "    " and resid   82 and name   HA) 2.147 0.576 0.576 weight 1.000 ! spec=cnoesy, no=381, id=1022, vol=4.031750e+06
assign (segid "    " and resid   82 and name  HB1) (segid "    " and resid   82 and name  HB2) 1.704 0.363 0.363 weight 1.000 ! spec=cnoesy, no=384, id=1025, vol=1.613728e+07
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HB1) 2.318 0.672 0.672 weight 1.000 ! spec=cnoesy, no=388, id=1029, vol=2.549252e+06
assign (segid "    " and resid   57 and name   HA) (segid "    " and resid   57 and name  HB1) 2.413 0.728 0.728 weight 1.000 ! spec=cnoesy, no=389, id=1030, vol=2.003843e+06
assign (segid "    " and resid   57 and name  HB2) (segid "    " and resid   57 and name  HB1) 1.689 0.357 0.357 weight 1.000 ! spec=cnoesy, no=390, id=1031, vol=1.700806e+07
assign (segid "    " and resid   78 and name  HB2) (segid "    " and resid   79 and name   HN) 2.900 1.051 1.051 weight 1.000 ! spec=cnoesy, no=391, id=1032, vol=6.644437e+05
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name  HB2) 2.329 0.678 0.678 weight 1.000 ! spec=cnoesy, no=394, id=1035, vol=2.477407e+06
assign (segid "    " and resid   78 and name  HB2) (segid "    " and resid   78 and name  HB1) 1.985 0.493 0.493 weight 1.000 ! spec=cnoesy, no=397, id=1038, vol=6.460170e+06
assign (segid "    " and resid   72 and name  HB2) (segid "    " and resid   69 and name   HA) 4.863 2.956 2.956 weight 1.000 ! spec=cnoesy, no=402, id=1043, vol=2.989000e+04
assign (segid "    " and resid   72 and name  HB1) (segid "    " and resid   69 and name   HA) 4.482 2.511 2.511 weight 1.000 ! spec=cnoesy, no=403, id=1044, vol=4.879000e+04
assign (segid "    " and resid   72 and name  HB1) (segid "    " and resid   72 and name   HN) 2.664 0.887 0.887 weight 1.000 ! spec=cnoesy, no=404, id=1045, vol=1.105479e+06
assign (segid "    " and resid   52 and name  HB1) (segid "    " and resid   52 and name   HA) 2.120 0.562 0.562 weight 1.000 ! spec=cnoesy, no=405, id=1046, vol=4.349521e+06
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   57 and name  HB1) 2.963 1.098 1.098 weight 1.000 ! spec=cnoesy, no=409, id=1049, vol=5.836902e+05
assign (segid "    " and resid   72 and name  HB1) (segid "    " and resid   72 and name   HA) 2.494 0.777 0.777 weight 1.000 ! spec=cnoesy, no=410, id=1050, vol=1.643435e+06
assign (segid "    " and resid   83 and name  HB2) (segid "    " and resid   83 and name   HN) 2.339 0.684 0.684 weight 1.000 ! spec=cnoesy, no=411, id=1051, vol=2.415935e+06
assign (segid "    " and resid   83 and name  HB2) (segid "    " and resid   83 and name   HA) 2.426 0.736 0.736 weight 1.000 ! spec=cnoesy, no=412, id=1052, vol=1.939314e+06
assign (segid "    " and resid   83 and name  HB2) (segid "    " and resid   80 and name   HA) 2.593 0.841 0.841 weight 1.000 ! spec=cnoesy, no=413, id=1053, vol=1.299278e+06
assign (segid "    " and resid   83 and name   HA) (segid "    " and resid   83 and name  HB1) 2.330 0.679 0.679 weight 1.000 ! spec=cnoesy, no=414, id=1054, vol=2.468397e+06
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   83 and name  HB1) 2.318 0.672 0.672 weight 1.000 ! spec=cnoesy, no=415, id=1055, vol=2.547209e+06
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name   HA) 2.629 0.864 0.864 weight 1.000 ! spec=cnoesy, no=416, id=1056, vol=1.196241e+06
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name   HB) 2.304 0.664 0.664 weight 1.000 ! spec=cnoesy, no=417, id=1057, vol=2.640958e+06
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name   HB) 2.213 0.612 0.612 weight 1.000 ! spec=cnoesy, no=419, id=1059, vol=3.370461e+06
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   82 and name HD22) 4.914 3.018 3.018 weight 1.000 ! spec=cnoesy, no=421, id=1061, vol=2.808000e+04
    or (segid "    " and resid   17 and name   HB) (segid "    " and resid   82 and name HD21)
    or (segid "    " and resid   17 and name   HB) (segid "    " and resid   82 and name HD23)
assign (segid "    " and resid   17 and name   HB) (segid "    " and resid   17 and name HD12) 2.106 0.554 0.554 weight 1.000 ! spec=cnoesy, no=422, id=1062, vol=4.535585e+06
    or (segid "    " and resid   17 and name   HB) (segid "    " and resid   17 and name HD11)
    or (segid "    " and resid   17 and name   HB) (segid "    " and resid   17 and name HD13)
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HG12) 2.428 0.737 0.737 weight 1.000 ! spec=cnoesy, no=424, id=1064, vol=1.930503e+06
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HB2) 2.698 0.910 0.910 weight 1.000 ! spec=cnoesy, no=435, id=1075, vol=1.024848e+06
assign (segid "    " and resid   22 and name  HB2) (segid "    " and resid   22 and name  HB1) 1.654 0.342 0.342 weight 1.000 ! spec=cnoesy, no=437, id=1077, vol=1.932394e+07
assign (segid "    " and resid   62 and name  HG2) (segid "    " and resid   62 and name   HA) 2.598 0.844 0.844 weight 1.000 ! spec=cnoesy, no=440, id=1080, vol=1.285591e+06
assign (segid "    " and resid   62 and name  HG2) (segid "    " and resid   62 and name  HB2) 2.230 0.622 0.622 weight 1.000 ! spec=cnoesy, no=441, id=1081, vol=3.214893e+06
assign (segid "    " and resid   62 and name  HG2) (segid "    " and resid   62 and name   HN) 2.685 0.901 0.901 weight 1.000 ! spec=cnoesy, no=442, id=1082, vol=1.054593e+06
assign (segid "    " and resid   62 and name  HG2) (segid "    " and resid   62 and name  HG1) 2.399 0.719 0.719 weight 1.000 ! spec=cnoesy, no=443, id=1083, vol=2.074000e+06
assign (segid "    " and resid   62 and name  HG2) (segid "    " and resid   62 and name  HB1) 2.400 0.720 0.720 weight 1.000 ! spec=cnoesy, no=444, id=1084, vol=2.070049e+06
assign (segid "    " and resid   62 and name  HG1) (segid "    " and resid   62 and name   HN) 2.804 0.983 0.983 weight 1.000 ! spec=cnoesy, no=445, id=1085, vol=8.138428e+05
assign (segid "    " and resid   62 and name  HG1) (segid "    " and resid   62 and name  HB1) 2.350 0.691 0.691 weight 1.000 ! spec=cnoesy, no=446, id=1086, vol=2.345395e+06
assign (segid "    " and resid   62 and name   HA) (segid "    " and resid   62 and name  HG1) 2.713 0.920 0.920 weight 1.000 ! spec=cnoesy, no=447, id=1087, vol=9.915063e+05
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   80 and name  HG2) 2.557 0.817 0.817 weight 1.000 ! spec=cnoesy, no=448, id=1088, vol=1.414383e+06
assign (segid "    " and resid   80 and name  HG2) (segid "    " and resid   80 and name   HA) 2.614 0.854 0.854 weight 1.000 ! spec=cnoesy, no=449, id=1089, vol=1.239293e+06
assign (segid "    " and resid   80 and name  HG1) (segid "    " and resid   80 and name   HN) 2.512 0.789 0.789 weight 1.000 ! spec=cnoesy, no=451, id=1091, vol=1.572526e+06
assign (segid "    " and resid   80 and name  HG2) (segid "    " and resid   80 and name  HG1) 1.677 0.351 0.351 weight 1.000 ! spec=cnoesy, no=452, id=1092, vol=1.778241e+07
assign (segid "    " and resid   46 and name   HA) (segid "    " and resid   46 and name   HB) 2.449 0.750 0.750 weight 1.000 ! spec=cnoesy, no=454, id=1094, vol=1.831398e+06
assign (segid "    " and resid   46 and name   HB) (segid "    " and resid   46 and name HG22) 2.219 0.615 0.615 weight 1.000 ! spec=cnoesy, no=455, id=1095, vol=3.312518e+06
    or (segid "    " and resid   46 and name   HB) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   46 and name   HB) (segid "    " and resid   46 and name HG23)
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name   HN) 4.844 2.933 2.933 weight 1.000 ! spec=cnoesy, no=457, id=1097, vol=3.062000e+04
assign (segid "    " and resid   48 and name   HB) (segid "    " and resid   48 and name   HA) 2.726 0.929 0.929 weight 1.000 ! spec=cnoesy, no=459, id=1099, vol=9.637958e+05
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name   HA) 2.455 0.753 0.753 weight 1.000 ! spec=cnoesy, no=460, id=1100, vol=1.806596e+06
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   43 and name   HB) 2.429 0.738 0.738 weight 1.000 ! spec=cnoesy, no=461, id=1101, vol=1.924118e+06
assign (segid "    " and resid   32 and name  HB2) (segid "    " and resid   32 and name  HG2) 2.193 0.601 0.601 weight 1.000 ! spec=cnoesy, no=462, id=1102, vol=3.553582e+06
assign (segid "    " and resid   48 and name   HB) (segid "    " and resid   48 and name HG12) 2.052 0.526 0.526 weight 1.000 ! spec=cnoesy, no=463, id=1103, vol=5.295742e+06
    or (segid "    " and resid   48 and name   HB) (segid "    " and resid   48 and name HG11)
    or (segid "    " and resid   48 and name   HB) (segid "    " and resid   48 and name HG13)
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name  HB1) 2.578 0.831 0.831 weight 1.000 ! spec=cnoesy, no=466, id=1106, vol=1.346425e+06
assign (segid "    " and resid   49 and name  HB2) (segid "    " and resid   49 and name  HB1) 2.095 0.549 0.549 weight 1.000 ! spec=cnoesy, no=469, id=1108, vol=4.672587e+06
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name   HA) 4.966 3.083 3.083 weight 1.000 ! spec=cnoesy, no=470, id=1109, vol=2.636000e+04
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name  HG1) 2.813 0.989 0.989 weight 1.000 ! spec=cnoesy, no=472, id=1111, vol=7.987750e+05
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name  HB1) 1.987 0.493 0.493 weight 1.000 ! spec=cnoesy, no=475, id=1114, vol=6.429347e+06
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name  HB1) 2.905 1.055 1.055 weight 1.000 ! spec=cnoesy, no=476, id=1115, vol=6.572199e+05
assign (segid "    " and resid   29 and name  HB2) (segid "    " and resid   29 and name  HD1) 2.845 1.012 1.012 weight 1.000 ! spec=cnoesy, no=477, id=1116, vol=7.458256e+05
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HG1) 1.741 0.379 0.379 weight 1.000 ! spec=cnoesy, no=478, id=1117, vol=1.418793e+07
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HB2) 2.230 0.622 0.622 weight 1.000 ! spec=cnoesy, no=479, id=1118, vol=3.215679e+06
assign (segid "    " and resid   25 and name  HG2) (segid "    " and resid   25 and name  HB1) 2.219 0.615 0.615 weight 1.000 ! spec=cnoesy, no=480, id=1119, vol=3.311740e+06
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name  HG2) 2.533 0.802 0.802 weight 1.000 ! spec=cnoesy, no=481, id=1120, vol=1.495103e+06
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name   HA) 4.754 2.825 2.825 weight 1.000 ! spec=cnoesy, no=482, id=1121, vol=3.426000e+04
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HB2) 2.422 0.733 0.733 weight 1.000 ! spec=cnoesy, no=484, id=1123, vol=1.958767e+06
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name  HG1) 2.403 0.722 0.722 weight 1.000 ! spec=cnoesy, no=485, id=1124, vol=2.055063e+06
assign (segid "    " and resid   41 and name  HB1) (segid "    " and resid   41 and name   HA) 2.902 1.052 1.052 weight 1.000 ! spec=cnoesy, no=487, id=1126, vol=6.623232e+05
assign (segid "    " and resid   25 and name  HG1) (segid "    " and resid   25 and name  HB1) 2.272 0.645 0.645 weight 1.000 ! spec=cnoesy, no=489, id=1128, vol=2.872124e+06
assign (segid "    " and resid   65 and name  HB1) (segid "    " and resid   65 and name  HD2) 5.130 3.289 3.289 weight 1.000 ! spec=cnoesy, no=492, id=1131, vol=2.170000e+04
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name   HA) 2.372 0.703 0.703 weight 1.000 ! spec=cnoesy, no=497, id=1136, vol=2.220779e+06
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   46 and name HG12) 2.514 0.790 0.790 weight 1.000 ! spec=cnoesy, no=500, id=1138, vol=1.564964e+06
    or (segid "    " and resid   26 and name  HB2) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   26 and name  HB2) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   40 and name  HB2) (segid "    " and resid   42 and name  HE1) 3.051 1.164 1.164 weight 1.000 ! spec=cnoesy, no=501, id=1139, vol=4.901882e+05
assign (segid "    " and resid   40 and name  HB2) (segid "    " and resid   40 and name   HA) 2.691 0.906 0.906 weight 1.000 ! spec=cnoesy, no=502, id=1140, vol=1.040046e+06
assign (segid "    " and resid   40 and name  HB2) (segid "    " and resid   40 and name  HB1) 1.824 0.416 0.416 weight 1.000 ! spec=cnoesy, no=504, id=1142, vol=1.072300e+07
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   26 and name  HG2) 2.957 1.093 1.093 weight 1.000 ! spec=cnoesy, no=506, id=1144, vol=5.918781e+05
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   26 and name  HB1) 1.895 0.449 0.449 weight 1.000 ! spec=cnoesy, no=507, id=1145, vol=8.527157e+06
assign (segid "    " and resid   26 and name  HB1) (segid "    " and resid   46 and name HG12) 2.601 0.845 0.845 weight 1.000 ! spec=cnoesy, no=508, id=1146, vol=1.277863e+06
    or (segid "    " and resid   26 and name  HB1) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   26 and name  HB1) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   64 and name  HG1) (segid "    " and resid   64 and name  HG2) 2.009 0.505 0.505 weight 1.000 ! spec=cnoesy, no=512, id=1150, vol=6.012966e+06
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   28 and name  HE1) 3.706 1.717 1.717 weight 1.000 ! spec=cnoesy, no=521, id=1159, vol=1.524919e+05
assign (segid "    " and resid   68 and name  HB2) (segid "    " and resid   68 and name   HN) 4.763 2.836 2.836 weight 1.000 ! spec=cnoesy, no=522, id=1160, vol=3.386000e+04
assign (segid "    " and resid   68 and name  HB2) (segid "    " and resid   68 and name   HA) 2.635 0.868 0.868 weight 1.000 ! spec=cnoesy, no=523, id=1161, vol=1.180153e+06
assign (segid "    " and resid   68 and name  HB1) (segid "    " and resid   68 and name   HN) 5.002 3.128 3.128 weight 1.000 ! spec=cnoesy, no=526, id=1164, vol=2.524000e+04
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name   HB) 2.686 0.902 0.902 weight 1.000 ! spec=cnoesy, no=527, id=1165, vol=1.052508e+06
assign (segid "    " and resid   71 and name  HB2) (segid "    " and resid   71 and name  HB1) 2.317 0.671 0.671 weight 1.000 ! spec=cnoesy, no=530, id=1167, vol=2.556132e+06
assign (segid "    " and resid   24 and name  HB2) (segid "    " and resid   24 and name  HB1) 1.740 0.378 0.378 weight 1.000 ! spec=cnoesy, no=533, id=1170, vol=1.424952e+07
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name   HB) 2.366 0.700 0.700 weight 1.000 ! spec=cnoesy, no=534, id=1171, vol=2.252933e+06
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   76 and name   HB) 2.771 0.960 0.960 weight 1.000 ! spec=cnoesy, no=535, id=1172, vol=8.725247e+05
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   25 and name   HN) 2.897 1.049 1.049 weight 1.000 ! spec=cnoesy, no=539, id=1176, vol=6.684474e+05
assign (segid "    " and resid   53 and name  HB1) (segid "    " and resid   53 and name   HA) 2.700 0.911 0.911 weight 1.000 ! spec=cnoesy, no=542, id=1179, vol=1.019854e+06
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HB2) 2.729 0.931 0.931 weight 1.000 ! spec=cnoesy, no=543, id=1180, vol=9.576162e+05
assign (segid "    " and resid   25 and name  HB2) (segid "    " and resid   25 and name   HA) 2.880 1.037 1.037 weight 1.000 ! spec=cnoesy, no=544, id=1181, vol=6.927903e+05
assign (segid "    " and resid   63 and name  HB2) (segid "    " and resid   63 and name   HA) 2.684 0.900 0.900 weight 1.000 ! spec=cnoesy, no=546, id=1183, vol=1.058037e+06
assign (segid "    " and resid   58 and name  HB2) (segid "    " and resid   58 and name  HB1) 2.090 0.546 0.546 weight 1.000 ! spec=cnoesy, no=548, id=1185, vol=4.737604e+06
assign (segid "    " and resid   24 and name  HB1) (segid "    " and resid   24 and name  HD2) 2.577 0.830 0.830 weight 1.000 ! spec=cnoesy, no=550, id=1187, vol=1.349707e+06
assign (segid "    " and resid   63 and name  HB1) (segid "    " and resid   63 and name   HA) 2.728 0.930 0.930 weight 1.000 ! spec=cnoesy, no=551, id=1188, vol=9.595126e+05
assign (segid "    " and resid   63 and name  HB2) (segid "    " and resid   63 and name  HB1) 1.848 0.427 0.427 weight 1.000 ! spec=cnoesy, no=552, id=1189, vol=9.920737e+06
assign (segid "    " and resid   53 and name  HB1) (segid "    " and resid   53 and name  HB2) 1.809 0.409 0.409 weight 1.000 ! spec=cnoesy, no=554, id=1191, vol=1.129595e+07
assign (segid "    " and resid   58 and name  HB1) (segid "    " and resid   58 and name   HA) 2.598 0.844 0.844 weight 1.000 ! spec=cnoesy, no=555, id=1192, vol=1.286541e+06
assign (segid "    " and resid   58 and name  HG2) (segid "    " and resid   58 and name  HB1) 2.067 0.534 0.534 weight 1.000 ! spec=cnoesy, no=556, id=1193, vol=5.071830e+06
    or (segid "    " and resid   58 and name  HG1) (segid "    " and resid   58 and name  HB1)
assign (segid "    " and resid   38 and name   HA) (segid "    " and resid   38 and name  HB1) 2.216 0.614 0.614 weight 1.000 ! spec=cnoesy, no=561, id=1198, vol=3.342846e+06
assign (segid "    " and resid   38 and name  HB2) (segid "    " and resid   38 and name  HB1) 1.801 0.405 0.405 weight 1.000 ! spec=cnoesy, no=562, id=1199, vol=1.160098e+07
assign (segid "    " and resid   62 and name  HB2) (segid "    " and resid   63 and name  HD1) 4.454 2.479 2.479 weight 1.000 ! spec=cnoesy, no=566, id=1203, vol=5.066000e+04
assign (segid "    " and resid   62 and name  HB2) (segid "    " and resid   62 and name  HB1) 1.927 0.464 0.464 weight 1.000 ! spec=cnoesy, no=567, id=1204, vol=7.730435e+06
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name   HA) 2.681 0.898 0.898 weight 1.000 ! spec=cnoesy, no=573, id=1210, vol=1.065558e+06
assign (segid "    " and resid   21 and name  HB2) (segid "    " and resid   21 and name  HG2) 2.652 0.879 0.879 weight 1.000 ! spec=cnoesy, no=574, id=1211, vol=1.137023e+06
assign (segid "    " and resid   21 and name  HB1) (segid "    " and resid   21 and name  HG2) 2.679 0.897 0.897 weight 1.000 ! spec=cnoesy, no=575, id=1212, vol=1.069536e+06
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   55 and name  HB1) 2.016 0.508 0.508 weight 1.000 ! spec=cnoesy, no=577, id=1214, vol=5.886290e+06
assign (segid "    " and resid   55 and name  HB2) (segid "    " and resid   55 and name   HA) 2.762 0.954 0.954 weight 1.000 ! spec=cnoesy, no=579, id=1216, vol=8.903244e+05
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name  HB2) 5.165 3.334 3.334 weight 1.000 ! spec=cnoesy, no=580, id=1217, vol=2.083000e+04
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HN) 2.482 0.770 0.770 weight 1.000 ! spec=cnoesy, no=591, id=1228, vol=1.690309e+06
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   17 and name   HA) 2.624 0.861 0.861 weight 1.000 ! spec=cnoesy, no=592, id=1229, vol=1.211142e+06
assign (segid "    " and resid   20 and name  HB2) (segid "    " and resid   20 and name   HA) 2.510 0.788 0.788 weight 1.000 ! spec=cnoesy, no=593, id=1230, vol=1.579465e+06
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HN) 2.430 0.738 0.738 weight 1.000 ! spec=cnoesy, no=594, id=1231, vol=1.922378e+06
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   21 and name   HN) 2.833 1.004 1.004 weight 1.000 ! spec=cnoesy, no=595, id=1232, vol=7.639516e+05
assign (segid "    " and resid   20 and name  HB1) (segid "    " and resid   20 and name   HA) 2.484 0.771 0.771 weight 1.000 ! spec=cnoesy, no=596, id=1233, vol=1.683624e+06
assign (segid "    " and resid   80 and name  HB2) (segid "    " and resid   80 and name   HA) 4.769 2.843 2.843 weight 1.000 ! spec=cnoesy, no=598, id=1235, vol=3.359000e+04
assign (segid "    " and resid   80 and name  HB2) (segid "    " and resid   80 and name  HB1) 2.873 1.032 1.032 weight 1.000 ! spec=cnoesy, no=599, id=1236, vol=7.030000e+05
assign (segid "    " and resid   80 and name  HB2) (segid "    " and resid   80 and name  HG2) 2.599 0.844 0.844 weight 1.000 ! spec=cnoesy, no=600, id=1237, vol=1.282229e+06
assign (segid "    " and resid   17 and name HG12) (segid "    " and resid   17 and name HG11) 1.929 0.465 0.465 weight 1.000 ! spec=cnoesy, no=604, id=1241, vol=7.682422e+06
assign (segid "    " and resid   17 and name HG12) (segid "    " and resid   17 and name HD12) 2.168 0.587 0.587 weight 1.000 ! spec=cnoesy, no=607, id=1244, vol=3.809405e+06
    or (segid "    " and resid   17 and name HG12) (segid "    " and resid   17 and name HD11)
    or (segid "    " and resid   17 and name HG12) (segid "    " and resid   17 and name HD13)
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name HG11) 2.891 1.045 1.045 weight 1.000 ! spec=cnoesy, no=609, id=1246, vol=6.771228e+05
assign (segid "    " and resid   17 and name   HA) (segid "    " and resid   17 and name HG11) 2.661 0.885 0.885 weight 1.000 ! spec=cnoesy, no=610, id=1247, vol=1.113192e+06
assign (segid "    " and resid   17 and name HG11) (segid "    " and resid   17 and name HD12) 2.184 0.596 0.596 weight 1.000 ! spec=cnoesy, no=612, id=1249, vol=3.643973e+06
    or (segid "    " and resid   17 and name HG11) (segid "    " and resid   17 and name HD11)
    or (segid "    " and resid   17 and name HG11) (segid "    " and resid   17 and name HD13)
assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   60 and name   HA) 2.786 0.970 0.970 weight 1.000 ! spec=cnoesy, no=624, id=1261, vol=8.452977e+05
assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   60 and name HG11) 1.908 0.455 0.455 weight 1.000 ! spec=cnoesy, no=625, id=1262, vol=8.186621e+06
assign (segid "    " and resid   60 and name HG12) (segid "    " and resid   60 and name HD12) 2.115 0.559 0.559 weight 1.000 ! spec=cnoesy, no=626, id=1263, vol=4.417473e+06
    or (segid "    " and resid   60 and name HG12) (segid "    " and resid   60 and name HD11)
    or (segid "    " and resid   60 and name HG12) (segid "    " and resid   60 and name HD13)
assign (segid "    " and resid   21 and name  HD2) (segid "    " and resid   21 and name  HD1) 1.726 0.373 0.373 weight 1.000 ! spec=cnoesy, no=628, id=1265, vol=1.493469e+07
assign (segid "    " and resid   60 and name HG11) (segid "    " and resid   60 and name HD12) 2.079 0.541 0.541 weight 1.000 ! spec=cnoesy, no=630, id=1267, vol=4.889454e+06
    or (segid "    " and resid   60 and name HG11) (segid "    " and resid   60 and name HD11)
    or (segid "    " and resid   60 and name HG11) (segid "    " and resid   60 and name HD13)
assign (segid "    " and resid   21 and name  HD1) (segid "    " and resid   21 and name  HG1) 2.305 0.664 0.664 weight 1.000 ! spec=cnoesy, no=631, id=1268, vol=2.633116e+06
assign (segid "    " and resid   29 and name  HG2) (segid "    " and resid   29 and name  HG1) 2.168 0.588 0.588 weight 1.000 ! spec=cnoesy, no=644, id=1281, vol=3.805839e+06
assign (segid "    " and resid   78 and name HD22) (segid "    " and resid   78 and name  HB2) 2.037 0.519 0.519 weight 1.000 ! spec=cnoesy, no=648, id=1285, vol=5.535417e+06
    or (segid "    " and resid   78 and name HD21) (segid "    " and resid   78 and name  HB2)
    or (segid "    " and resid   78 and name HD23) (segid "    " and resid   78 and name  HB2)
assign (segid "    " and resid   81 and name   HG) (segid "    " and resid   81 and name   HA) 2.628 0.863 0.863 weight 1.000 ! spec=cnoesy, no=654, id=1291, vol=1.200720e+06
assign (segid "    " and resid   53 and name  HG1) (segid "    " and resid   53 and name   HA) 2.829 1.000 1.000 weight 1.000 ! spec=cnoesy, no=659, id=1296, vol=7.718540e+05
assign (segid "    " and resid   53 and name  HG1) (segid "    " and resid   53 and name  HB2) 2.306 0.665 0.665 weight 1.000 ! spec=cnoesy, no=661, id=1298, vol=2.628457e+06
assign (segid "    " and resid   82 and name HD22) (segid "    " and resid   82 and name  HB2) 1.882 0.443 0.443 weight 1.000 ! spec=cnoesy, no=663, id=1300, vol=8.887909e+06
    or (segid "    " and resid   82 and name HD21) (segid "    " and resid   82 and name  HB2)
    or (segid "    " and resid   82 and name HD23) (segid "    " and resid   82 and name  HB2)
assign (segid "    " and resid   71 and name  HG2) (segid "    " and resid   71 and name  HG1) 2.402 0.721 0.721 weight 1.000 ! spec=cnoesy, no=665, id=1302, vol=2.060692e+06
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB2) 2.663 0.887 0.887 weight 1.000 ! spec=cnoesy, no=666, id=1303, vol=1.107976e+06
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name  HB1) 2.066 0.533 0.533 weight 1.000 ! spec=cnoesy, no=667, id=1304, vol=5.087078e+06
assign (segid "    " and resid   18 and name  HB2) (segid "    " and resid   18 and name   HA) 2.931 1.074 1.074 weight 1.000 ! spec=cnoesy, no=668, id=1305, vol=6.236394e+05
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name  HB1) 2.743 0.941 0.941 weight 1.000 ! spec=cnoesy, no=669, id=1306, vol=9.276666e+05
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   18 and name   HA) 2.664 0.887 0.887 weight 1.000 ! spec=cnoesy, no=670, id=1307, vol=1.105815e+06
assign (segid "    " and resid   30 and name   HA) (segid "    " and resid   30 and name  HB1) 2.522 0.795 0.795 weight 1.000 ! spec=cnoesy, no=674, id=1311, vol=1.535617e+06
assign (segid "    " and resid   30 and name  HB2) (segid "    " and resid   30 and name  HB1) 2.015 0.507 0.507 weight 1.000 ! spec=cnoesy, no=675, id=1312, vol=5.912002e+06
assign (segid "    " and resid   18 and name  HB1) (segid "    " and resid   15 and name   HA) 2.971 1.104 1.104 weight 1.000 ! spec=cnoesy, no=676, id=1313, vol=5.744020e+05
assign (segid "    " and resid   84 and name  HG2) (segid "    " and resid   84 and name   HA) 4.969 3.086 3.086 weight 1.000 ! spec=cnoesy, no=686, id=1323, vol=2.628000e+04
assign (segid "    " and resid   32 and name  HG1) (segid "    " and resid   32 and name   HA) 2.858 1.021 1.021 weight 1.000 ! spec=cnoesy, no=691, id=1327, vol=7.252538e+05
assign (segid "    " and resid   40 and name  HG2) (segid "    " and resid   40 and name   HA) 3.046 1.159 1.159 weight 1.000 ! spec=cnoesy, no=695, id=1330, vol=4.954930e+05
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HG1) 4.992 3.115 3.115 weight 1.000 ! spec=cnoesy, no=696, id=1331, vol=2.555000e+04
assign (segid "    " and resid   40 and name  HG1) (segid "    " and resid   40 and name   HA) 2.903 1.054 1.054 weight 1.000 ! spec=cnoesy, no=697, id=1332, vol=6.602006e+05
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name   HA) 3.218 1.295 1.295 weight 1.000 ! spec=cnoesy, no=698, id=1333, vol=3.558284e+05
assign (segid "    " and resid   21 and name  HG1) (segid "    " and resid   21 and name  HG2) 2.043 0.522 0.522 weight 1.000 ! spec=cnoesy, no=699, id=1334, vol=5.438323e+06
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name HG22) 2.212 0.612 0.612 weight 1.000 ! spec=cnoesy, no=700, id=1335, vol=3.371402e+06
    or (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name HG21)
    or (segid "    " and resid   76 and name   HN) (segid "    " and resid   76 and name HG23)
assign (segid "    " and resid   76 and name HG22) (segid "    " and resid   77 and name   HN) 2.863 1.024 1.024 weight 1.000 ! spec=cnoesy, no=701, id=1336, vol=7.182164e+05
    or (segid "    " and resid   76 and name HG21) (segid "    " and resid   77 and name   HN)
    or (segid "    " and resid   76 and name HG23) (segid "    " and resid   77 and name   HN)
assign (segid "    " and resid   76 and name   HA) (segid "    " and resid   76 and name HG22) 2.265 0.641 0.641 weight 1.000 ! spec=cnoesy, no=703, id=1337, vol=2.927881e+06
    or (segid "    " and resid   76 and name   HA) (segid "    " and resid   76 and name HG21)
    or (segid "    " and resid   76 and name   HA) (segid "    " and resid   76 and name HG23)
assign (segid "    " and resid   76 and name   HB) (segid "    " and resid   76 and name HG22) 2.130 0.567 0.567 weight 1.000 ! spec=cnoesy, no=704, id=1338, vol=4.237317e+06
    or (segid "    " and resid   76 and name   HB) (segid "    " and resid   76 and name HG21)
    or (segid "    " and resid   76 and name   HB) (segid "    " and resid   76 and name HG23)
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name HG22) 2.797 0.978 0.978 weight 1.000 ! spec=cnoesy, no=708, id=1341, vol=8.262966e+05
    or (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name HG21)
    or (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name HG23)
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name HG12) 2.394 0.717 0.717 weight 1.000 ! spec=cnoesy, no=715, id=1348, vol=2.098753e+06
    or (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   46 and name   HB) (segid "    " and resid   46 and name HG12) 1.978 0.489 0.489 weight 1.000 ! spec=cnoesy, no=716, id=1349, vol=6.597142e+06
    or (segid "    " and resid   46 and name   HB) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   46 and name   HB) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   78 and name HD22) (segid "    " and resid   46 and name HG12) 2.108 0.555 0.555 weight 1.000 ! spec=cnoesy, no=717, id=1350, vol=4.506106e+06
    or (segid "    " and resid   78 and name HD22) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   78 and name HD22) (segid "    " and resid   46 and name HG13)
    or (segid "    " and resid   78 and name HD21) (segid "    " and resid   46 and name HG12)
    or (segid "    " and resid   78 and name HD21) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   78 and name HD21) (segid "    " and resid   46 and name HG13)
    or (segid "    " and resid   78 and name HD23) (segid "    " and resid   46 and name HG12)
    or (segid "    " and resid   78 and name HD23) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   78 and name HD23) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   46 and name HG12) (segid "    " and resid   46 and name HG22) 2.101 0.552 0.552 weight 1.000 ! spec=cnoesy, no=718, id=1351, vol=4.596755e+06
    or (segid "    " and resid   46 and name HG12) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   46 and name HG12) (segid "    " and resid   46 and name HG23)
    or (segid "    " and resid   46 and name HG11) (segid "    " and resid   46 and name HG22)
    or (segid "    " and resid   46 and name HG11) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   46 and name HG11) (segid "    " and resid   46 and name HG23)
    or (segid "    " and resid   46 and name HG13) (segid "    " and resid   46 and name HG22)
    or (segid "    " and resid   46 and name HG13) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   46 and name HG13) (segid "    " and resid   46 and name HG23)
assign (segid "    " and resid   82 and name HD12) (segid "    " and resid   23 and name  HH2) 2.606 0.849 0.849 weight 1.000 ! spec=cnoesy, no=720, id=1353, vol=1.261170e+06
    or (segid "    " and resid   82 and name HD11) (segid "    " and resid   23 and name  HH2)
    or (segid "    " and resid   82 and name HD13) (segid "    " and resid   23 and name  HH2)
assign (segid "    " and resid   48 and name HG12) (segid "    " and resid   48 and name   HA) 2.606 0.849 0.849 weight 1.000 ! spec=cnoesy, no=725, id=1358, vol=1.263383e+06
    or (segid "    " and resid   48 and name HG11) (segid "    " and resid   48 and name   HA)
    or (segid "    " and resid   48 and name HG13) (segid "    " and resid   48 and name   HA)
assign (segid "    " and resid   48 and name HG12) (segid "    " and resid   56 and name HG21) 2.583 0.834 0.834 weight 1.000 ! spec=cnoesy, no=726, id=1359, vol=1.331069e+06
    or (segid "    " and resid   48 and name HG12) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   48 and name HG12) (segid "    " and resid   56 and name HG23)
    or (segid "    " and resid   48 and name HG11) (segid "    " and resid   56 and name HG21)
    or (segid "    " and resid   48 and name HG11) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   48 and name HG11) (segid "    " and resid   56 and name HG23)
    or (segid "    " and resid   48 and name HG13) (segid "    " and resid   56 and name HG21)
    or (segid "    " and resid   48 and name HG13) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   48 and name HG13) (segid "    " and resid   56 and name HG23)
assign (segid "    " and resid   48 and name HG12) (segid "    " and resid   50 and name HG21) 2.255 0.635 0.635 weight 1.000 ! spec=cnoesy, no=728, id=1360, vol=3.009635e+06
    or (segid "    " and resid   48 and name HG12) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   48 and name HG12) (segid "    " and resid   50 and name HG23)
    or (segid "    " and resid   48 and name HG11) (segid "    " and resid   50 and name HG21)
    or (segid "    " and resid   48 and name HG11) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   48 and name HG11) (segid "    " and resid   50 and name HG23)
    or (segid "    " and resid   48 and name HG13) (segid "    " and resid   50 and name HG21)
    or (segid "    " and resid   48 and name HG13) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   48 and name HG13) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   46 and name HG12) (segid "    " and resid   28 and name  HE1) 2.741 0.939 0.939 weight 1.000 ! spec=cnoesy, no=729, id=1361, vol=9.332242e+05
    or (segid "    " and resid   46 and name HG11) (segid "    " and resid   28 and name  HE1)
    or (segid "    " and resid   46 and name HG13) (segid "    " and resid   28 and name  HE1)
assign (segid "    " and resid   56 and name HG21) (segid "    " and resid   48 and name   HB) 2.463 0.758 0.758 weight 1.000 ! spec=cnoesy, no=731, id=1363, vol=1.771954e+06
    or (segid "    " and resid   56 and name HG22) (segid "    " and resid   48 and name   HB)
    or (segid "    " and resid   56 and name HG23) (segid "    " and resid   48 and name   HB)
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG21) 2.810 0.987 0.987 weight 1.000 ! spec=cnoesy, no=732, id=1364, vol=8.033518e+05
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG22)
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name HG23)
assign (segid "    " and resid   43 and name HG21) (segid "    " and resid   61 and name   HN) 2.946 1.085 1.085 weight 1.000 ! spec=cnoesy, no=733, id=1365, vol=6.052753e+05
    or (segid "    " and resid   43 and name HG22) (segid "    " and resid   61 and name   HN)
    or (segid "    " and resid   43 and name HG23) (segid "    " and resid   61 and name   HN)
assign (segid "    " and resid   43 and name   HB) (segid "    " and resid   43 and name HG21) 2.177 0.592 0.592 weight 1.000 ! spec=cnoesy, no=735, id=1367, vol=3.716499e+06
    or (segid "    " and resid   43 and name   HB) (segid "    " and resid   43 and name HG22)
    or (segid "    " and resid   43 and name   HB) (segid "    " and resid   43 and name HG23)
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name HG12) 2.708 0.917 0.917 weight 1.000 ! spec=cnoesy, no=737, id=1369, vol=1.002350e+06
    or (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name HG11)
    or (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name HG13)
assign (segid "    " and resid   48 and name HG12) (segid "    " and resid   23 and name  HE3) 2.389 0.714 0.714 weight 1.000 ! spec=cnoesy, no=738, id=1370, vol=2.124023e+06
    or (segid "    " and resid   48 and name HG11) (segid "    " and resid   23 and name  HE3)
    or (segid "    " and resid   48 and name HG13) (segid "    " and resid   23 and name  HE3)
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   48 and name HG12) 2.711 0.919 0.919 weight 1.000 ! spec=cnoesy, no=739, id=1371, vol=9.948422e+05
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   48 and name HG11)
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   48 and name HG13)
assign (segid "    " and resid   67 and name HG12) (segid "    " and resid   67 and name   HB) 2.165 0.586 0.586 weight 1.000 ! spec=cnoesy, no=743, id=1375, vol=3.837578e+06
    or (segid "    " and resid   67 and name HG11) (segid "    " and resid   67 and name   HB)
    or (segid "    " and resid   67 and name HG13) (segid "    " and resid   67 and name   HB)
assign (segid "    " and resid   56 and name   HB) (segid "    " and resid   56 and name HG21) 2.169 0.588 0.588 weight 1.000 ! spec=cnoesy, no=746, id=1378, vol=3.797036e+06
    or (segid "    " and resid   56 and name   HB) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   56 and name   HB) (segid "    " and resid   56 and name HG23)
assign (segid "    " and resid   56 and name HG21) (segid "    " and resid   50 and name HG21) 2.165 0.586 0.586 weight 1.000 ! spec=cnoesy, no=749, id=1381, vol=3.843646e+06
    or (segid "    " and resid   56 and name HG21) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   56 and name HG21) (segid "    " and resid   50 and name HG23)
    or (segid "    " and resid   56 and name HG22) (segid "    " and resid   50 and name HG21)
    or (segid "    " and resid   56 and name HG22) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   56 and name HG22) (segid "    " and resid   50 and name HG23)
    or (segid "    " and resid   56 and name HG23) (segid "    " and resid   50 and name HG21)
    or (segid "    " and resid   56 and name HG23) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   56 and name HG23) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name HG12) 2.419 0.732 0.732 weight 1.000 ! spec=cnoesy, no=752, id=1383, vol=1.971147e+06
    or (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name HG11)
    or (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name HG13)
assign (segid "    " and resid   31 and name HG12) (segid "    " and resid   30 and name   HA) 2.871 1.030 1.030 weight 1.000 ! spec=cnoesy, no=755, id=1385, vol=7.067086e+05
    or (segid "    " and resid   31 and name HG11) (segid "    " and resid   30 and name   HA)
    or (segid "    " and resid   31 and name HG13) (segid "    " and resid   30 and name   HA)
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid   31 and name HG12) 2.013 0.506 0.506 weight 1.000 ! spec=cnoesy, no=756, id=1386, vol=5.946988e+06
    or (segid "    " and resid   31 and name   HB) (segid "    " and resid   31 and name HG11)
    or (segid "    " and resid   31 and name   HB) (segid "    " and resid   31 and name HG13)
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG21) 2.220 0.616 0.616 weight 1.000 ! spec=cnoesy, no=758, id=1388, vol=3.298894e+06
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name  HB2) 2.243 0.629 0.629 weight 1.000 ! spec=cnoesy, no=764, id=1394, vol=3.107940e+06
    or (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name  HB3)
assign (segid "    " and resid   70 and name  HB2) (segid "    " and resid   42 and name  HB2) 2.479 0.768 0.768 weight 1.000 ! spec=cnoesy, no=767, id=1396, vol=1.702957e+06
    or (segid "    " and resid   70 and name  HB1) (segid "    " and resid   42 and name  HB2)
    or (segid "    " and resid   70 and name  HB3) (segid "    " and resid   42 and name  HB2)
assign (segid "    " and resid   67 and name   HA) (segid "    " and resid   70 and name  HB2) 2.105 0.554 0.554 weight 1.000 ! spec=cnoesy, no=768, id=1397, vol=4.539845e+06
    or (segid "    " and resid   67 and name   HA) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   67 and name   HA) (segid "    " and resid   70 and name  HB3)
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   70 and name  HB2) 3.060 1.170 1.170 weight 1.000 ! spec=cnoesy, no=769, id=1398, vol=4.819171e+05
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   70 and name  HB3)
assign (segid "    " and resid   31 and name HG22) (segid "    " and resid   32 and name   HN) 3.064 1.174 1.174 weight 1.000 ! spec=cnoesy, no=770, id=1399, vol=4.775922e+05
    or (segid "    " and resid   31 and name HG21) (segid "    " and resid   32 and name   HN)
    or (segid "    " and resid   31 and name HG23) (segid "    " and resid   32 and name   HN)
assign (segid "    " and resid   64 and name  HE2) (segid "    " and resid   64 and name   HA) 2.900 1.051 1.051 weight 1.000 ! spec=cnoesy, no=784, id=1410, vol=6.649515e+05
    or (segid "    " and resid   64 and name  HE1) (segid "    " and resid   64 and name   HA)
    or (segid "    " and resid   64 and name  HE3) (segid "    " and resid   64 and name   HA)
assign (segid "    " and resid   64 and name  HE2) (segid "    " and resid   73 and name  HB2) 2.310 0.667 0.667 weight 1.000 ! spec=cnoesy, no=786, id=1412, vol=2.602242e+06
    or (segid "    " and resid   64 and name  HE2) (segid "    " and resid   73 and name  HB1)
    or (segid "    " and resid   64 and name  HE1) (segid "    " and resid   73 and name  HB2)
    or (segid "    " and resid   64 and name  HE1) (segid "    " and resid   73 and name  HB1)
    or (segid "    " and resid   64 and name  HE3) (segid "    " and resid   73 and name  HB2)
    or (segid "    " and resid   64 and name  HE3) (segid "    " and resid   73 and name  HB1)
assign (segid "    " and resid   64 and name  HE2) (segid "    " and resid   64 and name  HG2) 2.357 0.695 0.695 weight 1.000 ! spec=cnoesy, no=787, id=1413, vol=2.303069e+06
    or (segid "    " and resid   64 and name  HE1) (segid "    " and resid   64 and name  HG2)
    or (segid "    " and resid   64 and name  HE3) (segid "    " and resid   64 and name  HG2)
assign (segid "    " and resid   25 and name  HE2) (segid "    " and resid   25 and name  HG1) 2.386 0.711 0.711 weight 1.000 ! spec=cnoesy, no=788, id=1414, vol=2.144067e+06
    or (segid "    " and resid   25 and name  HE1) (segid "    " and resid   25 and name  HG1)
    or (segid "    " and resid   25 and name  HE3) (segid "    " and resid   25 and name  HG1)
assign (segid "    " and resid   64 and name  HE2) (segid "    " and resid   65 and name  HD1) 3.086 1.190 1.190 weight 1.000 ! spec=cnoesy, no=792, id=1418, vol=4.581013e+05
    or (segid "    " and resid   64 and name  HE1) (segid "    " and resid   65 and name  HD1)
    or (segid "    " and resid   64 and name  HE3) (segid "    " and resid   65 and name  HD1)
assign (segid "    " and resid   25 and name  HE2) (segid "    " and resid   25 and name   HA) 2.996 1.122 1.122 weight 1.000 ! spec=cnoesy, no=795, id=1421, vol=5.467527e+05
    or (segid "    " and resid   25 and name  HE1) (segid "    " and resid   25 and name   HA)
    or (segid "    " and resid   25 and name  HE3) (segid "    " and resid   25 and name   HA)
assign (segid "    " and resid   25 and name  HE2) (segid "    " and resid   18 and name  HB2) 3.396 1.442 1.442 weight 1.000 ! spec=cnoesy, no=796, id=1422, vol=2.575630e+05
    or (segid "    " and resid   25 and name  HE1) (segid "    " and resid   18 and name  HB2)
    or (segid "    " and resid   25 and name  HE3) (segid "    " and resid   18 and name  HB2)
assign (segid "    " and resid   25 and name  HE2) (segid "    " and resid   19 and name  HB1) 2.245 0.630 0.630 weight 1.000 ! spec=cnoesy, no=798, id=1424, vol=3.090527e+06
    or (segid "    " and resid   25 and name  HE1) (segid "    " and resid   19 and name  HB1)
    or (segid "    " and resid   25 and name  HE3) (segid "    " and resid   19 and name  HB1)
assign (segid "    " and resid   25 and name  HE2) (segid "    " and resid   19 and name HD12) 2.188 0.598 0.598 weight 1.000 ! spec=cnoesy, no=799, id=1425, vol=3.605925e+06
    or (segid "    " and resid   25 and name  HE2) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   25 and name  HE2) (segid "    " and resid   19 and name HD13)
    or (segid "    " and resid   25 and name  HE1) (segid "    " and resid   19 and name HD12)
    or (segid "    " and resid   25 and name  HE1) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   25 and name  HE1) (segid "    " and resid   19 and name HD13)
    or (segid "    " and resid   25 and name  HE3) (segid "    " and resid   19 and name HD12)
    or (segid "    " and resid   25 and name  HE3) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   25 and name  HE3) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   75 and name  HB2) (segid "    " and resid   72 and name   HA) 2.472 0.764 0.764 weight 1.000 ! spec=cnoesy, no=801, id=1427, vol=1.731559e+06
    or (segid "    " and resid   75 and name  HB1) (segid "    " and resid   72 and name   HA)
    or (segid "    " and resid   75 and name  HB3) (segid "    " and resid   72 and name   HA)
assign (segid "    " and resid   75 and name  HB2) (segid "    " and resid   75 and name   HA) 2.189 0.599 0.599 weight 1.000 ! spec=cnoesy, no=802, id=1428, vol=3.592254e+06
    or (segid "    " and resid   75 and name  HB1) (segid "    " and resid   75 and name   HA)
    or (segid "    " and resid   75 and name  HB3) (segid "    " and resid   75 and name   HA)
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name  HB2) 3.164 1.251 1.251 weight 1.000 ! spec=cnoesy, no=805, id=1431, vol=3.943560e+05
    or (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name  HB1)
    or (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name  HB3)
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   75 and name   HN) 2.196 0.603 0.603 weight 1.000 ! spec=cnoesy, no=808, id=1434, vol=3.520552e+06
    or (segid "    " and resid   74 and name  HB1) (segid "    " and resid   75 and name   HN)
    or (segid "    " and resid   74 and name  HB3) (segid "    " and resid   75 and name   HN)
assign (segid "    " and resid   74 and name   HN) (segid "    " and resid   74 and name  HB2) 2.297 0.660 0.660 weight 1.000 ! spec=cnoesy, no=809, id=1435, vol=2.688343e+06
    or (segid "    " and resid   74 and name   HN) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   74 and name   HN) (segid "    " and resid   74 and name  HB3)
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   28 and name  HD1) 3.158 1.247 1.247 weight 1.000 ! spec=cnoesy, no=810, id=1436, vol=3.986233e+05
    or (segid "    " and resid   74 and name  HB1) (segid "    " and resid   28 and name  HD1)
    or (segid "    " and resid   74 and name  HB3) (segid "    " and resid   28 and name  HD1)
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   28 and name  HE1) 3.015 1.136 1.136 weight 1.000 ! spec=cnoesy, no=811, id=1437, vol=5.261756e+05
    or (segid "    " and resid   74 and name  HB1) (segid "    " and resid   28 and name  HE1)
    or (segid "    " and resid   74 and name  HB3) (segid "    " and resid   28 and name  HE1)
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   45 and name  HA2) 3.008 1.131 1.131 weight 1.000 ! spec=cnoesy, no=812, id=1438, vol=5.341508e+05
    or (segid "    " and resid   74 and name  HB1) (segid "    " and resid   45 and name  HA2)
    or (segid "    " and resid   74 and name  HB3) (segid "    " and resid   45 and name  HA2)
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   60 and name   HA) 3.040 1.155 1.155 weight 1.000 ! spec=cnoesy, no=813, id=1439, vol=5.013362e+05
    or (segid "    " and resid   74 and name  HB1) (segid "    " and resid   60 and name   HA)
    or (segid "    " and resid   74 and name  HB3) (segid "    " and resid   60 and name   HA)
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   46 and name HG22) 2.123 0.564 0.564 weight 1.000 ! spec=cnoesy, no=816, id=1442, vol=4.314159e+06
    or (segid "    " and resid   74 and name  HB2) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   74 and name  HB2) (segid "    " and resid   46 and name HG23)
    or (segid "    " and resid   74 and name  HB1) (segid "    " and resid   46 and name HG22)
    or (segid "    " and resid   74 and name  HB1) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   74 and name  HB1) (segid "    " and resid   46 and name HG23)
    or (segid "    " and resid   74 and name  HB3) (segid "    " and resid   46 and name HG22)
    or (segid "    " and resid   74 and name  HB3) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   74 and name  HB3) (segid "    " and resid   46 and name HG23)
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HG22) 2.489 0.775 0.775 weight 1.000 ! spec=cnoesy, no=817, id=1443, vol=1.661795e+06
    or (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HG21)
    or (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HG23)
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HG22) 2.053 0.527 0.527 weight 1.000 ! spec=cnoesy, no=822, id=1448, vol=5.279092e+06
    or (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HG21)
    or (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HG23)
assign (segid "    " and resid   60 and name HG22) (segid "    " and resid   60 and name HG12) 2.458 0.755 0.755 weight 1.000 ! spec=cnoesy, no=823, id=1449, vol=1.791196e+06
    or (segid "    " and resid   60 and name HG21) (segid "    " and resid   60 and name HG12)
    or (segid "    " and resid   60 and name HG23) (segid "    " and resid   60 and name HG12)
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   39 and name  HB2) 2.504 0.784 0.784 weight 1.000 ! spec=cnoesy, no=825, id=1451, vol=1.605155e+06
    or (segid "    " and resid   36 and name  HD2) (segid "    " and resid   39 and name  HB1)
    or (segid "    " and resid   36 and name  HD2) (segid "    " and resid   39 and name  HB3)
    or (segid "    " and resid   36 and name  HD1) (segid "    " and resid   39 and name  HB2)
    or (segid "    " and resid   36 and name  HD1) (segid "    " and resid   39 and name  HB1)
    or (segid "    " and resid   36 and name  HD1) (segid "    " and resid   39 and name  HB3)
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HD12) 2.924 1.068 1.068 weight 1.000 ! spec=cnoesy, no=826, id=1452, vol=6.330504e+05
    or (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HD11)
    or (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HD13)
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   60 and name   HA) 2.970 1.103 1.103 weight 1.000 ! spec=cnoesy, no=827, id=1453, vol=5.755418e+05
    or (segid "    " and resid   60 and name HD11) (segid "    " and resid   60 and name   HA)
    or (segid "    " and resid   60 and name HD13) (segid "    " and resid   60 and name   HA)
assign (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HD12) 2.327 0.677 0.677 weight 1.000 ! spec=cnoesy, no=829, id=1455, vol=2.489668e+06
    or (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HD11)
    or (segid "    " and resid   60 and name   HB) (segid "    " and resid   60 and name HD13)
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   26 and name  HG2) 2.505 0.785 0.785 weight 1.000 ! spec=cnoesy, no=834, id=1459, vol=1.598254e+06
assign (segid "    " and resid   26 and name  HD2) (segid "    " and resid   25 and name   HA) 2.371 0.703 0.703 weight 1.000 ! spec=cnoesy, no=836, id=1461, vol=2.226373e+06
assign (segid "    " and resid   63 and name  HD2) (segid "    " and resid   63 and name  HB2) 2.315 0.670 0.670 weight 1.000 ! spec=cnoesy, no=838, id=1463, vol=2.567442e+06
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name   HA) 2.175 0.591 0.591 weight 1.000 ! spec=cnoesy, no=842, id=1464, vol=3.734074e+06
assign (segid "    " and resid   55 and name  HB1) (segid "    " and resid   55 and name   HA) 2.647 0.876 0.876 weight 1.000 ! spec=cnoesy, no=843, id=1465, vol=1.148280e+06
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name   HA) 3.059 1.170 1.170 weight 1.000 ! spec=cnoesy, no=848, id=1469, vol=4.822198e+05
assign (segid "    " and resid   60 and name HD12) (segid "    " and resid   45 and name  HA2) 2.798 0.979 0.979 weight 1.000 ! spec=cnoesy, no=850, id=1471, vol=8.231810e+05
    or (segid "    " and resid   60 and name HD11) (segid "    " and resid   45 and name  HA2)
    or (segid "    " and resid   60 and name HD13) (segid "    " and resid   45 and name  HA2)
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   55 and name  HE3) 3.007 1.130 1.130 weight 1.000 ! spec=cnoesy, no=851, id=1472, vol=5.350263e+05
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   48 and name HG22) 2.816 0.991 0.991 weight 1.000 ! spec=cnoesy, no=852, id=1473, vol=7.930955e+05
    or (segid "    " and resid   26 and name  HB2) (segid "    " and resid   48 and name HG21)
    or (segid "    " and resid   26 and name  HB2) (segid "    " and resid   48 and name HG23)
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   43 and name   HB) 3.808 1.812 1.812 weight 1.000 ! spec=nnoesy, no=2, id=1, vol=1.287000e+05
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   30 and name  HB1) 3.749 1.756 1.756 weight 1.000 ! spec=nnoesy, no=5, id=4, vol=1.414000e+05
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   31 and name   HB) 2.751 0.946 0.946 weight 1.000 ! spec=nnoesy, no=6, id=5, vol=9.055000e+05
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name   HA) 3.365 1.415 1.415 weight 1.000 ! spec=nnoesy, no=8, id=7, vol=2.702000e+05
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HA) 2.651 0.879 0.879 weight 1.000 ! spec=nnoesy, no=9, id=8, vol=1.130000e+06
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HB) 3.680 1.693 1.693 weight 1.000 ! spec=nnoesy, no=10, id=9, vol=1.579000e+05
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   74 and name  HB2) 3.421 1.463 1.463 weight 1.000 ! spec=nnoesy, no=13, id=12, vol=2.446000e+05
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   74 and name  HB3)
assign (segid "    " and resid   55 and name  HE1) (segid "    " and resid   55 and name  HZ2) 2.497 0.779 0.779 weight 1.000 ! spec=nnoesy, no=15, id=14, vol=1.618000e+06
assign (segid "    " and resid   55 and name  HE1) (segid "    " and resid   55 and name  HD1) 2.482 0.770 0.770 weight 1.000 ! spec=nnoesy, no=16, id=15, vol=1.680000e+06
assign (segid "    " and resid   55 and name  HE1) (segid "    " and resid   55 and name  HB1) 3.783 1.789 1.789 weight 1.000 ! spec=nnoesy, no=18, id=17, vol=1.339000e+05
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   38 and name   HA) 3.507 1.538 1.538 weight 1.000 ! spec=nnoesy, no=19, id=18, vol=2.107000e+05
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name  HB2) 3.086 1.191 1.191 weight 1.000 ! spec=nnoesy, no=21, id=20, vol=4.540000e+05
    or (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name  HB1)
    or (segid "    " and resid   39 and name   HN) (segid "    " and resid   39 and name  HB3)
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   50 and name   HN) 3.466 1.502 1.502 weight 1.000 ! spec=nnoesy, no=23, id=21, vol=2.262000e+05
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   55 and name  HZ3) 3.533 1.560 1.560 weight 1.000 ! spec=nnoesy, no=24, id=22, vol=2.018000e+05
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name   HA) 2.417 0.730 0.730 weight 1.000 ! spec=nnoesy, no=25, id=23, vol=1.968000e+06
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name  HB2) 2.672 0.893 0.893 weight 1.000 ! spec=nnoesy, no=27, id=25, vol=1.077000e+06
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   48 and name   HB) 3.062 1.172 1.172 weight 1.000 ! spec=nnoesy, no=28, id=26, vol=4.760000e+05
assign (segid "    " and resid   49 and name   HN) (segid "    " and resid   49 and name  HB1) 2.839 1.007 1.007 weight 1.000 ! spec=nnoesy, no=30, id=28, vol=7.500000e+05
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   45 and name  HA2) 3.855 1.857 1.857 weight 1.000 ! spec=nnoesy, no=31, id=29, vol=1.196000e+05
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name   HA) 2.352 0.692 0.692 weight 1.000 ! spec=nnoesy, no=32, id=30, vol=2.315000e+06
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name  HB2) 3.075 1.182 1.182 weight 1.000 ! spec=nnoesy, no=34, id=32, vol=4.645000e+05
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name  HG2) 2.559 0.819 0.819 weight 1.000 ! spec=nnoesy, no=35, id=33, vol=1.397000e+06
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name  HG1)
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name  HB1) 2.940 1.080 1.080 weight 1.000 ! spec=nnoesy, no=36, id=34, vol=6.076000e+05
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   78 and name HD22) 3.185 1.268 1.268 weight 1.000 ! spec=nnoesy, no=37, id=35, vol=3.755000e+05
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   78 and name HD23)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   78 and name HD12)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   78 and name HD11)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   78 and name HD13)
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name   HA) 2.323 0.674 0.674 weight 1.000 ! spec=nnoesy, no=39, id=37, vol=2.499000e+06
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   58 and name  HB2) 4.050 2.050 2.050 weight 1.000 ! spec=nnoesy, no=41, id=39, vol=8.891000e+04
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG12) 2.824 0.997 0.997 weight 1.000 ! spec=nnoesy, no=43, id=41, vol=7.743000e+05
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG22) 2.686 0.902 0.902 weight 1.000 ! spec=nnoesy, no=44, id=42, vol=1.045000e+06
    or (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG21)
    or (segid "    " and resid   60 and name   HN) (segid "    " and resid   60 and name HG23)
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   45 and name  HA2) 4.115 2.117 2.117 weight 1.000 ! spec=nnoesy, no=46, id=44, vol=8.078000e+04
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name   HA) 2.911 1.059 1.059 weight 1.000 ! spec=nnoesy, no=47, id=45, vol=6.450000e+05
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name  HB1) 2.964 1.098 1.098 weight 1.000 ! spec=nnoesy, no=50, id=48, vol=5.785000e+05
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name  HG2) 3.137 1.230 1.230 weight 1.000 ! spec=nnoesy, no=51, id=49, vol=4.120000e+05
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name  HG1) 3.141 1.233 1.233 weight 1.000 ! spec=nnoesy, no=52, id=50, vol=4.083000e+05
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   52 and name   HN) 3.740 1.749 1.749 weight 1.000 ! spec=nnoesy, no=53, id=51, vol=1.433000e+05
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   23 and name  HZ2) 2.789 0.972 0.972 weight 1.000 ! spec=nnoesy, no=54, id=52, vol=8.336000e+05
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   23 and name  HD1) 2.665 0.888 0.888 weight 1.000 ! spec=nnoesy, no=55, id=53, vol=1.094000e+06
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   51 and name   HN) 2.435 0.741 0.741 weight 1.000 ! spec=nnoesy, no=56, id=54, vol=1.882000e+06
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   23 and name   HA) 3.529 1.557 1.557 weight 1.000 ! spec=nnoesy, no=57, id=55, vol=2.030000e+05
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   50 and name   HB) 3.215 1.292 1.292 weight 1.000 ! spec=nnoesy, no=60, id=58, vol=3.554000e+05
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   46 and name   HA) 3.800 1.805 1.805 weight 1.000 ! spec=nnoesy, no=65, id=63, vol=1.303000e+05
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   27 and name   HA) 2.169 0.588 0.588 weight 1.000 ! spec=nnoesy, no=66, id=64, vol=3.770000e+06
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   46 and name HG12) 3.781 1.787 1.787 weight 1.000 ! spec=nnoesy, no=69, id=67, vol=1.342000e+05
    or (segid "    " and resid   28 and name   HN) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   28 and name   HN) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name   HA) 4.004 2.004 2.004 weight 1.000 ! spec=nnoesy, no=70, id=68, vol=9.524000e+04
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name   HA) 3.173 1.259 1.259 weight 1.000 ! spec=nnoesy, no=71, id=69, vol=3.841000e+05
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name   HB) 3.330 1.386 1.386 weight 1.000 ! spec=nnoesy, no=72, id=70, vol=2.878000e+05
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name HG12) 3.143 1.235 1.235 weight 1.000 ! spec=nnoesy, no=73, id=71, vol=4.069000e+05
    or (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name HG11)
    or (segid "    " and resid   67 and name   HN) (segid "    " and resid   67 and name HG13)
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   68 and name   HN) 3.083 1.188 1.188 weight 1.000 ! spec=nnoesy, no=74, id=72, vol=4.565000e+05
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   66 and name   HN) 3.094 1.197 1.197 weight 1.000 ! spec=nnoesy, no=75, id=73, vol=4.469000e+05
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   70 and name   HA) 2.644 0.874 0.874 weight 1.000 ! spec=nnoesy, no=76, id=74, vol=1.149000e+06
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   68 and name   HA) 3.769 1.776 1.776 weight 1.000 ! spec=nnoesy, no=77, id=75, vol=1.369000e+05
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   67 and name   HA) 2.850 1.015 1.015 weight 1.000 ! spec=nnoesy, no=78, id=76, vol=7.322000e+05
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   66 and name   HN) 3.630 1.647 1.647 weight 1.000 ! spec=nnoesy, no=82, id=79, vol=1.714000e+05
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   70 and name   HA) 3.434 1.474 1.474 weight 1.000 ! spec=nnoesy, no=85, id=82, vol=2.393000e+05
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   65 and name  HD1) 3.571 1.594 1.594 weight 1.000 ! spec=nnoesy, no=86, id=83, vol=1.893000e+05
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name  HG2) 3.014 1.136 1.136 weight 1.000 ! spec=nnoesy, no=87, id=84, vol=5.230000e+05
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name  HG1) 3.049 1.162 1.162 weight 1.000 ! spec=nnoesy, no=88, id=85, vol=4.887000e+05
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   70 and name  HB2) 2.840 1.008 1.008 weight 1.000 ! spec=nnoesy, no=89, id=86, vol=7.482000e+05
    or (segid "    " and resid   64 and name   HN) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   64 and name   HN) (segid "    " and resid   70 and name  HB3)
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   63 and name  HB1) 2.988 1.116 1.116 weight 1.000 ! spec=nnoesy, no=90, id=87, vol=5.508000e+05
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name  HD1) 2.757 0.950 0.950 weight 1.000 ! spec=nnoesy, no=91, id=88, vol=8.928000e+05
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   50 and name   HN) 3.575 1.597 1.597 weight 1.000 ! spec=nnoesy, no=92, id=89, vol=1.880000e+05
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name   HA) 2.859 1.022 1.022 weight 1.000 ! spec=nnoesy, no=93, id=90, vol=7.183000e+05
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name  HB2) 2.642 0.872 0.872 weight 1.000 ! spec=nnoesy, no=97, id=94, vol=1.154000e+06
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   55 and name  HB1) 2.383 0.710 0.710 weight 1.000 ! spec=nnoesy, no=98, id=95, vol=2.141000e+06
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name   HA) 2.143 0.574 0.574 weight 1.000 ! spec=nnoesy, no=100, id=96, vol=4.048000e+06
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   57 and name  HB2) 2.649 0.877 0.877 weight 1.000 ! spec=nnoesy, no=101, id=97, vol=1.136000e+06
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HB2) 2.521 0.794 0.794 weight 1.000 ! spec=nnoesy, no=103, id=99, vol=1.528000e+06
assign (segid "    " and resid   58 and name   HN) (segid "    " and resid   58 and name  HB1) 2.535 0.803 0.803 weight 1.000 ! spec=nnoesy, no=105, id=101, vol=1.479000e+06
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   27 and name   HN) 3.021 1.141 1.141 weight 1.000 ! spec=nnoesy, no=106, id=102, vol=5.163000e+05
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   28 and name   HA) 3.314 1.373 1.373 weight 1.000 ! spec=nnoesy, no=107, id=103, vol=2.960000e+05
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name HG22) 3.140 1.232 1.232 weight 1.000 ! spec=nnoesy, no=110, id=106, vol=4.097000e+05
    or (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name HG23)
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   77 and name   HA) 3.365 1.416 1.416 weight 1.000 ! spec=nnoesy, no=114, id=110, vol=2.701000e+05
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   77 and name  HB1) 4.790 2.867 2.867 weight 1.000 ! spec=nnoesy, no=118, id=114, vol=3.250000e+04
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name  HB1) 2.537 0.805 0.805 weight 1.000 ! spec=nnoesy, no=119, id=115, vol=1.470000e+06
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   48 and name   HA) 3.274 1.340 1.340 weight 1.000 ! spec=nnoesy, no=122, id=118, vol=3.186000e+05
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HB2) 2.291 0.656 0.656 weight 1.000 ! spec=nnoesy, no=125, id=121, vol=2.711000e+06
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   40 and name  HB1) 2.438 0.743 0.743 weight 1.000 ! spec=nnoesy, no=127, id=123, vol=1.867000e+06
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name  HB2) 2.813 0.989 0.989 weight 1.000 ! spec=nnoesy, no=128, id=124, vol=7.913000e+05
    or (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name  HB1)
    or (segid "    " and resid   40 and name   HN) (segid "    " and resid   39 and name  HB3)
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   16 and name  HB2) 2.772 0.961 0.961 weight 1.000 ! spec=nnoesy, no=132, id=127, vol=8.639000e+05
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name HG12) 2.541 0.807 0.807 weight 1.000 ! spec=nnoesy, no=134, id=129, vol=1.457000e+06
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   59 and name   HN) 2.720 0.925 0.925 weight 1.000 ! spec=nnoesy, no=137, id=131, vol=9.684000e+05
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name   HA) 2.892 1.046 1.046 weight 1.000 ! spec=nnoesy, no=139, id=133, vol=6.705000e+05
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   60 and name   HA) 3.143 1.234 1.234 weight 1.000 ! spec=nnoesy, no=140, id=134, vol=4.073000e+05
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   58 and name   HA) 3.317 1.375 1.375 weight 1.000 ! spec=nnoesy, no=141, id=135, vol=2.947000e+05
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name  HA1) 2.543 0.808 0.808 weight 1.000 ! spec=nnoesy, no=142, id=136, vol=1.450000e+06
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   58 and name  HG2) 2.602 0.846 0.846 weight 1.000 ! spec=nnoesy, no=144, id=138, vol=1.264000e+06
    or (segid "    " and resid   46 and name   HN) (segid "    " and resid   58 and name  HG1)
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name HG22) 2.340 0.684 0.684 weight 1.000 ! spec=nnoesy, no=146, id=140, vol=2.392000e+06
    or (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name HG23)
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name HG12) 3.193 1.275 1.275 weight 1.000 ! spec=nnoesy, no=147, id=141, vol=3.700000e+05
    or (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   46 and name   HN) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   78 and name   HA) 2.968 1.101 1.101 weight 1.000 ! spec=nnoesy, no=148, id=142, vol=5.745000e+05
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name   HA) 2.465 0.759 0.759 weight 1.000 ! spec=nnoesy, no=149, id=143, vol=1.749000e+06
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   79 and name   HA) 3.502 1.533 1.533 weight 1.000 ! spec=nnoesy, no=150, id=144, vol=2.128000e+05
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name   HA) 2.945 1.084 1.084 weight 1.000 ! spec=nnoesy, no=158, id=151, vol=6.011000e+05
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name  HB2) 2.845 1.012 1.012 weight 1.000 ! spec=nnoesy, no=160, id=153, vol=7.393000e+05
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name  HG2) 3.454 1.492 1.492 weight 1.000 ! spec=nnoesy, no=162, id=155, vol=2.309000e+05
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   29 and name  HG1) 3.276 1.341 1.341 weight 1.000 ! spec=nnoesy, no=163, id=156, vol=3.176000e+05
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   46 and name HG12) 3.735 1.744 1.744 weight 1.000 ! spec=nnoesy, no=164, id=157, vol=1.445000e+05
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   23 and name  HB1) 2.418 0.731 0.731 weight 1.000 ! spec=nnoesy, no=168, id=161, vol=1.962000e+06
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   21 and name  HB1) 2.883 1.039 1.039 weight 1.000 ! spec=nnoesy, no=169, id=162, vol=6.834000e+05
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name  HB2) 2.414 0.728 0.728 weight 1.000 ! spec=nnoesy, no=173, id=166, vol=1.983000e+06
assign (segid "    " and resid   37 and name   HN) (segid "    " and resid   37 and name   HA) 3.577 1.600 1.600 weight 1.000 ! spec=nnoesy, no=177, id=170, vol=1.872000e+05
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   68 and name   HA) 3.253 1.323 1.323 weight 1.000 ! spec=nnoesy, no=180, id=173, vol=3.311000e+05
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   67 and name   HA) 3.107 1.207 1.207 weight 1.000 ! spec=nnoesy, no=181, id=174, vol=4.360000e+05
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   70 and name  HB2) 2.645 0.875 0.875 weight 1.000 ! spec=nnoesy, no=182, id=175, vol=1.145000e+06
    or (segid "    " and resid   71 and name   HN) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   71 and name   HN) (segid "    " and resid   70 and name  HB3)
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name  HB2) 2.568 0.825 0.825 weight 1.000 ! spec=nnoesy, no=183, id=176, vol=1.367000e+06
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name  HB1) 2.834 1.004 1.004 weight 1.000 ! spec=nnoesy, no=184, id=177, vol=7.577000e+05
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name  HG2) 2.705 0.915 0.915 weight 1.000 ! spec=nnoesy, no=185, id=178, vol=1.001000e+06
assign (segid "    " and resid   71 and name   HN) (segid "    " and resid   71 and name  HG1) 2.949 1.087 1.087 weight 1.000 ! spec=nnoesy, no=186, id=179, vol=5.961000e+05
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   63 and name   HA) 3.518 1.547 1.547 weight 1.000 ! spec=nnoesy, no=187, id=180, vol=2.069000e+05
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name  HB2) 3.370 1.419 1.419 weight 1.000 ! spec=nnoesy, no=188, id=181, vol=2.680000e+05
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name   HA) 3.186 1.269 1.269 weight 1.000 ! spec=nnoesy, no=189, id=182, vol=3.750000e+05
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name   HA) 2.599 0.845 0.845 weight 1.000 ! spec=nnoesy, no=190, id=183, vol=1.272000e+06
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HB2) 3.208 1.286 1.286 weight 1.000 ! spec=nnoesy, no=191, id=184, vol=3.602000e+05
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name  HB1) 3.113 1.212 1.212 weight 1.000 ! spec=nnoesy, no=192, id=185, vol=4.308000e+05
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   85 and name   HA) 2.396 0.718 0.718 weight 1.000 ! spec=nnoesy, no=195, id=187, vol=2.074000e+06
assign (segid "    " and resid   85 and name   HN) (segid "    " and resid   85 and name HG21) 2.899 1.050 1.050 weight 1.000 ! spec=nnoesy, no=197, id=189, vol=6.615000e+05
    or (segid "    " and resid   85 and name   HN) (segid "    " and resid   85 and name HG22)
    or (segid "    " and resid   85 and name   HN) (segid "    " and resid   85 and name HG23)
assign (segid "    " and resid   84 and name   HN) (segid "    " and resid   84 and name   HA) 2.586 0.836 0.836 weight 1.000 ! spec=nnoesy, no=199, id=190, vol=1.311000e+06
assign (segid "    " and resid   84 and name   HN) (segid "    " and resid   82 and name   HA) 2.790 0.973 0.973 weight 1.000 ! spec=nnoesy, no=200, id=191, vol=8.321000e+05
assign (segid "    " and resid   84 and name   HN) (segid "    " and resid   83 and name  HB1) 3.028 1.146 1.146 weight 1.000 ! spec=nnoesy, no=201, id=192, vol=5.094000e+05
assign (segid "    " and resid   84 and name   HN) (segid "    " and resid   84 and name  HB1) 2.271 0.645 0.645 weight 1.000 ! spec=nnoesy, no=202, id=193, vol=2.861000e+06
assign (segid "    " and resid   84 and name   HN) (segid "    " and resid   84 and name  HG1) 2.605 0.848 0.848 weight 1.000 ! spec=nnoesy, no=203, id=194, vol=1.256000e+06
assign (segid "    " and resid   84 and name   HN) (segid "    " and resid   82 and name HD12) 3.456 1.493 1.493 weight 1.000 ! spec=nnoesy, no=204, id=195, vol=2.304000e+05
    or (segid "    " and resid   84 and name   HN) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   84 and name   HN) (segid "    " and resid   82 and name HD13)
assign (segid "    " and resid   74 and name   HN) (segid "    " and resid   75 and name   HN) 2.490 0.775 0.775 weight 1.000 ! spec=nnoesy, no=205, id=196, vol=1.647000e+06
assign (segid "    " and resid   74 and name   HN) (segid "    " and resid   61 and name  HA1) 3.138 1.231 1.231 weight 1.000 ! spec=nnoesy, no=207, id=198, vol=4.109000e+05
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name   HB) 2.456 0.754 0.754 weight 1.000 ! spec=nnoesy, no=211, id=202, vol=1.789000e+06
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   57 and name  HB2) 2.806 0.984 0.984 weight 1.000 ! spec=nnoesy, no=213, id=204, vol=8.034000e+05
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name HG21) 2.857 1.020 1.020 weight 1.000 ! spec=nnoesy, no=214, id=205, vol=7.220000e+05
    or (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name HG23)
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   79 and name   HN) 3.379 1.427 1.427 weight 1.000 ! spec=nnoesy, no=216, id=207, vol=2.638000e+05
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   77 and name   HA) 2.768 0.958 0.958 weight 1.000 ! spec=nnoesy, no=217, id=208, vol=8.723000e+05
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   75 and name   HA) 3.218 1.294 1.294 weight 1.000 ! spec=nnoesy, no=218, id=209, vol=3.535000e+05
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   76 and name   HA) 3.337 1.392 1.392 weight 1.000 ! spec=nnoesy, no=219, id=210, vol=2.839000e+05
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   77 and name   HG) 2.510 0.788 0.788 weight 1.000 ! spec=nnoesy, no=222, id=213, vol=1.568000e+06
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   75 and name  HB2) 3.214 1.292 1.292 weight 1.000 ! spec=nnoesy, no=223, id=214, vol=3.556000e+05
    or (segid "    " and resid   77 and name   HN) (segid "    " and resid   75 and name  HB1)
    or (segid "    " and resid   77 and name   HN) (segid "    " and resid   75 and name  HB3)
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   40 and name   HA) 3.158 1.247 1.247 weight 1.000 ! spec=nnoesy, no=225, id=216, vol=3.953000e+05
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name   HA) 2.997 1.123 1.123 weight 1.000 ! spec=nnoesy, no=226, id=217, vol=5.412000e+05
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   39 and name   HA) 3.323 1.380 1.380 weight 1.000 ! spec=nnoesy, no=227, id=218, vol=2.916000e+05
assign (segid "    " and resid   41 and name   HN) (segid "    " and resid   41 and name  HB1) 3.321 1.379 1.379 weight 1.000 ! spec=nnoesy, no=229, id=220, vol=2.923000e+05
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name   HN) 2.551 0.813 0.813 weight 1.000 ! spec=nnoesy, no=230, id=221, vol=1.425000e+06
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   72 and name   HA) 2.554 0.816 0.816 weight 1.000 ! spec=nnoesy, no=231, id=222, vol=1.412000e+06
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   69 and name   HA) 2.734 0.935 0.935 weight 1.000 ! spec=nnoesy, no=232, id=223, vol=9.385000e+05
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name   HA) 3.248 1.319 1.319 weight 1.000 ! spec=nnoesy, no=233, id=224, vol=3.340000e+05
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name  HB2) 2.644 0.874 0.874 weight 1.000 ! spec=nnoesy, no=235, id=226, vol=1.148000e+06
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name  HG1) 3.676 1.689 1.689 weight 1.000 ! spec=nnoesy, no=236, id=227, vol=1.590000e+05
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   68 and name   HA) 3.518 1.547 1.547 weight 1.000 ! spec=nnoesy, no=237, id=228, vol=2.068000e+05
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name  HB1) 2.878 1.035 1.035 weight 1.000 ! spec=nnoesy, no=238, id=229, vol=6.905000e+05
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   21 and name   HN) 2.414 0.728 0.728 weight 1.000 ! spec=nnoesy, no=239, id=230, vol=1.984000e+06
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   16 and name   HA) 3.183 1.266 1.266 weight 1.000 ! spec=nnoesy, no=240, id=231, vol=3.772000e+05
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name   HA) 2.979 1.109 1.109 weight 1.000 ! spec=nnoesy, no=241, id=232, vol=5.614000e+05
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   17 and name   HA) 2.934 1.076 1.076 weight 1.000 ! spec=nnoesy, no=243, id=234, vol=6.152000e+05
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name  HB2) 2.120 0.562 0.562 weight 1.000 ! spec=nnoesy, no=245, id=236, vol=4.325000e+06
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   21 and name  HB1) 3.256 1.325 1.325 weight 1.000 ! spec=nnoesy, no=249, id=240, vol=3.293000e+05
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   81 and name   HN) 2.513 0.790 0.790 weight 1.000 ! spec=nnoesy, no=250, id=241, vol=1.557000e+06
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   78 and name   HA) 3.735 1.743 1.743 weight 1.000 ! spec=nnoesy, no=251, id=242, vol=1.446000e+05
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name   HA) 2.566 0.823 0.823 weight 1.000 ! spec=nnoesy, no=252, id=243, vol=1.375000e+06
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   79 and name   HA) 3.071 1.179 1.179 weight 1.000 ! spec=nnoesy, no=253, id=244, vol=4.675000e+05
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name  HB2) 2.173 0.590 0.590 weight 1.000 ! spec=nnoesy, no=254, id=245, vol=3.727000e+06
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name   HG) 2.972 1.104 1.104 weight 1.000 ! spec=nnoesy, no=255, id=246, vol=5.691000e+05
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name  HB1) 2.657 0.882 0.882 weight 1.000 ! spec=nnoesy, no=256, id=247, vol=1.116000e+06
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   85 and name HG21) 3.172 1.258 1.258 weight 1.000 ! spec=nnoesy, no=257, id=248, vol=3.849000e+05
    or (segid "    " and resid   82 and name   HN) (segid "    " and resid   85 and name HG22)
    or (segid "    " and resid   82 and name   HN) (segid "    " and resid   85 and name HG23)
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name HD12) 2.574 0.828 0.828 weight 1.000 ! spec=nnoesy, no=258, id=249, vol=1.348000e+06
    or (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name HD13)
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   16 and name   HA) 2.908 1.057 1.057 weight 1.000 ! spec=nnoesy, no=259, id=250, vol=6.481000e+05
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HB2) 2.802 0.981 0.981 weight 1.000 ! spec=nnoesy, no=261, id=252, vol=8.115000e+05
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name   HA) 2.975 1.107 1.107 weight 1.000 ! spec=nnoesy, no=262, id=253, vol=5.656000e+05
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HN) 2.672 0.893 0.893 weight 1.000 ! spec=nnoesy, no=265, id=256, vol=1.077000e+06
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name   HA) 3.087 1.191 1.191 weight 1.000 ! spec=nnoesy, no=266, id=257, vol=4.530000e+05
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   18 and name  HB1) 2.966 1.100 1.100 weight 1.000 ! spec=nnoesy, no=267, id=258, vol=5.760000e+05
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   25 and name  HE2) 3.658 1.673 1.673 weight 1.000 ! spec=nnoesy, no=268, id=259, vol=1.637000e+05
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   25 and name  HE1)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   25 and name  HE3)
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name  HB1) 2.188 0.599 0.599 weight 1.000 ! spec=nnoesy, no=269, id=260, vol=3.571000e+06
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   44 and name   HA) 3.348 1.401 1.401 weight 1.000 ! spec=nnoesy, no=270, id=261, vol=2.787000e+05
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   43 and name   HB) 2.590 0.839 0.839 weight 1.000 ! spec=nnoesy, no=272, id=263, vol=1.299000e+06
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   30 and name   HA) 3.026 1.144 1.144 weight 1.000 ! spec=nnoesy, no=274, id=265, vol=5.112000e+05
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   43 and name HG21) 3.050 1.163 1.163 weight 1.000 ! spec=nnoesy, no=276, id=267, vol=4.872000e+05
    or (segid "    " and resid   32 and name   HN) (segid "    " and resid   43 and name HG22)
    or (segid "    " and resid   32 and name   HN) (segid "    " and resid   43 and name HG23)
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name HG12) 2.819 0.994 0.994 weight 1.000 ! spec=nnoesy, no=277, id=268, vol=7.813000e+05
    or (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name HG11)
    or (segid "    " and resid   32 and name   HN) (segid "    " and resid   31 and name HG13)
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   68 and name  HG2) 2.868 1.028 1.028 weight 1.000 ! spec=nnoesy, no=280, id=271, vol=7.052000e+05
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name HG12) 2.963 1.097 1.097 weight 1.000 ! spec=nnoesy, no=281, id=272, vol=5.802000e+05
    or (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name HG11)
    or (segid "    " and resid   68 and name   HN) (segid "    " and resid   67 and name HG13)
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   71 and name   HA) 3.430 1.470 1.470 weight 1.000 ! spec=nnoesy, no=283, id=274, vol=2.410000e+05
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name   HA) 2.741 0.939 0.939 weight 1.000 ! spec=nnoesy, no=290, id=280, vol=9.249000e+05
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   50 and name HG21) 3.339 1.393 1.393 weight 1.000 ! spec=nnoesy, no=291, id=281, vol=2.832000e+05
    or (segid "    " and resid   53 and name   HN) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   53 and name   HN) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name   HA) 3.146 1.238 1.238 weight 1.000 ! spec=nnoesy, no=292, id=282, vol=4.043000e+05
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name  HB1) 3.376 1.425 1.425 weight 1.000 ! spec=nnoesy, no=293, id=283, vol=2.648000e+05
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name HG21) 3.345 1.399 1.399 weight 1.000 ! spec=nnoesy, no=294, id=284, vol=2.799000e+05
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name HG22)
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   43 and name HG23)
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name  HB2) 3.179 1.263 1.263 weight 1.000 ! spec=nnoesy, no=297, id=287, vol=3.802000e+05
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   70 and name  HB2) 3.534 1.561 1.561 weight 1.000 ! spec=nnoesy, no=298, id=288, vol=2.013000e+05
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   70 and name  HB3)
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   32 and name  HB1) 3.091 1.194 1.194 weight 1.000 ! spec=nnoesy, no=299, id=289, vol=4.502000e+05
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   72 and name   HA) 3.151 1.241 1.241 weight 1.000 ! spec=nnoesy, no=300, id=290, vol=4.005000e+05
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   46 and name HG22) 3.112 1.211 1.211 weight 1.000 ! spec=nnoesy, no=301, id=291, vol=4.316000e+05
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   46 and name HG23)
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   18 and name   HA) 2.911 1.059 1.059 weight 1.000 ! spec=nnoesy, no=303, id=293, vol=6.451000e+05
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HA) 3.299 1.360 1.360 weight 1.000 ! spec=nnoesy, no=304, id=294, vol=3.044000e+05
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name   HB) 2.699 0.910 0.910 weight 1.000 ! spec=nnoesy, no=308, id=298, vol=1.016000e+06
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   19 and name  HB2) 3.337 1.392 1.392 weight 1.000 ! spec=nnoesy, no=309, id=299, vol=2.843000e+05
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   82 and name HD22) 3.263 1.331 1.331 weight 1.000 ! spec=nnoesy, no=310, id=300, vol=3.250000e+05
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   82 and name HD21)
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   82 and name HD23)
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HD12) 2.822 0.995 0.995 weight 1.000 ! spec=nnoesy, no=311, id=301, vol=7.769000e+05
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HD11)
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HD13)
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name   HN) 3.100 1.201 1.201 weight 1.000 ! spec=nnoesy, no=314, id=304, vol=4.423000e+05
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   52 and name   HA) 2.987 1.116 1.116 weight 1.000 ! spec=nnoesy, no=316, id=306, vol=5.520000e+05
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   50 and name   HB) 3.125 1.221 1.221 weight 1.000 ! spec=nnoesy, no=318, id=308, vol=4.212000e+05
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   50 and name   HA) 3.650 1.666 1.666 weight 1.000 ! spec=nnoesy, no=319, id=309, vol=1.658000e+05
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   50 and name HG21) 3.768 1.775 1.775 weight 1.000 ! spec=nnoesy, no=320, id=310, vol=1.371000e+05
    or (segid "    " and resid   52 and name   HN) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   52 and name   HN) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name   HA) 3.119 1.216 1.216 weight 1.000 ! spec=nnoesy, no=322, id=311, vol=4.261000e+05
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   48 and name   HB) 2.625 0.862 0.862 weight 1.000 ! spec=nnoesy, no=326, id=315, vol=1.198000e+06
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   56 and name HG21) 2.752 0.947 0.947 weight 1.000 ! spec=nnoesy, no=327, id=316, vol=9.022000e+05
    or (segid "    " and resid   48 and name   HN) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   48 and name   HN) (segid "    " and resid   56 and name HG23)
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   78 and name HD12) 2.934 1.076 1.076 weight 1.000 ! spec=nnoesy, no=328, id=317, vol=6.152000e+05
    or (segid "    " and resid   48 and name   HN) (segid "    " and resid   78 and name HD11)
    or (segid "    " and resid   48 and name   HN) (segid "    " and resid   78 and name HD13)
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   50 and name HG21) 3.483 1.517 1.517 weight 1.000 ! spec=nnoesy, no=330, id=319, vol=2.197000e+05
    or (segid "    " and resid   48 and name   HN) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   48 and name   HN) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   78 and name   HA) 4.098 2.099 2.099 weight 1.000 ! spec=nnoesy, no=331, id=320, vol=8.287000e+04
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   77 and name   HA) 3.079 1.185 1.185 weight 1.000 ! spec=nnoesy, no=332, id=321, vol=4.603000e+05
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   80 and name   HA) 2.653 0.880 0.880 weight 1.000 ! spec=nnoesy, no=333, id=322, vol=1.125000e+06
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   80 and name  HB2) 2.372 0.703 0.703 weight 1.000 ! spec=nnoesy, no=336, id=325, vol=2.201000e+06
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name  HB2) 2.777 0.964 0.964 weight 1.000 ! spec=nnoesy, no=337, id=326, vol=8.558000e+05
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   55 and name  HZ3) 3.666 1.680 1.680 weight 1.000 ! spec=nnoesy, no=341, id=330, vol=1.616000e+05
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   46 and name   HA) 3.748 1.756 1.756 weight 1.000 ! spec=nnoesy, no=342, id=331, vol=1.416000e+05
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   27 and name   HA) 2.780 0.966 0.966 weight 1.000 ! spec=nnoesy, no=343, id=332, vol=8.507000e+05
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name  HB2) 2.783 0.968 0.968 weight 1.000 ! spec=nnoesy, no=345, id=334, vol=8.447000e+05
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   26 and name  HB1) 3.012 1.134 1.134 weight 1.000 ! spec=nnoesy, no=346, id=335, vol=5.251000e+05
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   48 and name HG22) 3.167 1.254 1.254 weight 1.000 ! spec=nnoesy, no=347, id=336, vol=3.888000e+05
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   48 and name HG21)
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   48 and name HG23)
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   46 and name HG12) 3.039 1.154 1.154 weight 1.000 ! spec=nnoesy, no=348, id=337, vol=4.980000e+05
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   78 and name HD22) 3.896 1.898 1.898 weight 1.000 ! spec=nnoesy, no=349, id=338, vol=1.121000e+05
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   78 and name HD23)
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   78 and name HD12)
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   78 and name HD11)
    or (segid "    " and resid   27 and name   HN) (segid "    " and resid   78 and name HD13)
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name   HA) 2.228 0.621 0.621 weight 1.000 ! spec=nnoesy, no=350, id=339, vol=3.205000e+06
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name  HB1) 2.274 0.647 0.647 weight 1.000 ! spec=nnoesy, no=356, id=345, vol=2.835000e+06
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   84 and name   HN) 2.522 0.795 0.795 weight 1.000 ! spec=nnoesy, no=357, id=346, vol=1.524000e+06
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   83 and name   HA) 2.653 0.880 0.880 weight 1.000 ! spec=nnoesy, no=358, id=347, vol=1.126000e+06
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name   HA) 2.815 0.990 0.990 weight 1.000 ! spec=nnoesy, no=359, id=348, vol=7.890000e+05
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   79 and name   HA) 3.451 1.488 1.488 weight 1.000 ! spec=nnoesy, no=360, id=349, vol=2.324000e+05
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name  HB2) 2.682 0.899 0.899 weight 1.000 ! spec=nnoesy, no=362, id=351, vol=1.053000e+06
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name  HB1) 2.960 1.096 1.096 weight 1.000 ! spec=nnoesy, no=363, id=352, vol=5.828000e+05
assign (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name HD12) 3.125 1.221 1.221 weight 1.000 ! spec=nnoesy, no=364, id=353, vol=4.213000e+05
    or (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   83 and name   HN) (segid "    " and resid   82 and name HD13)
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   22 and name   HA) 3.374 1.423 1.423 weight 1.000 ! spec=nnoesy, no=365, id=354, vol=2.661000e+05
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   19 and name   HA) 3.727 1.736 1.736 weight 1.000 ! spec=nnoesy, no=366, id=355, vol=1.464000e+05
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   17 and name   HA) 3.475 1.509 1.509 weight 1.000 ! spec=nnoesy, no=369, id=358, vol=2.229000e+05
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HD2) 3.952 1.952 1.952 weight 1.000 ! spec=nnoesy, no=372, id=361, vol=1.030000e+05
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HB1) 2.291 0.656 0.656 weight 1.000 ! spec=nnoesy, no=374, id=363, vol=2.715000e+06
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   75 and name   HN) 2.726 0.929 0.929 weight 1.000 ! spec=nnoesy, no=375, id=364, vol=9.564000e+05
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   77 and name   HN) 2.696 0.908 0.908 weight 1.000 ! spec=nnoesy, no=376, id=365, vol=1.022000e+06
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   75 and name   HA) 3.177 1.262 1.262 weight 1.000 ! spec=nnoesy, no=377, id=366, vol=3.814000e+05
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   75 and name  HB2) 2.629 0.864 0.864 weight 1.000 ! spec=nnoesy, no=380, id=369, vol=1.188000e+06
    or (segid "    " and resid   76 and name   HN) (segid "    " and resid   75 and name  HB1)
    or (segid "    " and resid   76 and name   HN) (segid "    " and resid   75 and name  HB3)
assign (segid "    " and resid   76 and name   HN) (segid "    " and resid   73 and name   HA) 3.086 1.191 1.191 weight 1.000 ! spec=nnoesy, no=382, id=371, vol=4.540000e+05
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name   HA) 3.323 1.380 1.380 weight 1.000 ! spec=nnoesy, no=384, id=373, vol=2.915000e+05
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   67 and name   HA) 3.580 1.602 1.602 weight 1.000 ! spec=nnoesy, no=385, id=374, vol=1.865000e+05
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name  HB2) 2.383 0.710 0.710 weight 1.000 ! spec=nnoesy, no=387, id=376, vol=2.143000e+06
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HG2) 2.388 0.713 0.713 weight 1.000 ! spec=nnoesy, no=388, id=377, vol=2.114000e+06
    or (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HG1)
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   74 and name   HN) 3.636 1.653 1.653 weight 1.000 ! spec=nnoesy, no=389, id=378, vol=1.697000e+05
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name   HA) 2.881 1.037 1.037 weight 1.000 ! spec=nnoesy, no=390, id=379, vol=6.865000e+05
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name  HA1) 2.424 0.734 0.734 weight 1.000 ! spec=nnoesy, no=392, id=381, vol=1.935000e+06
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name  HB2) 2.751 0.946 0.946 weight 1.000 ! spec=nnoesy, no=393, id=382, vol=9.060000e+05
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   62 and name  HB1) 2.498 0.780 0.780 weight 1.000 ! spec=nnoesy, no=394, id=383, vol=1.614000e+06
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   20 and name   HA) 2.911 1.059 1.059 weight 1.000 ! spec=nnoesy, no=398, id=387, vol=6.454000e+05
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name   HA) 2.757 0.950 0.950 weight 1.000 ! spec=nnoesy, no=399, id=388, vol=8.934000e+05
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   22 and name  HB1) 2.706 0.915 0.915 weight 1.000 ! spec=nnoesy, no=401, id=390, vol=9.996000e+05
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   20 and name  HG2) 3.343 1.397 1.397 weight 1.000 ! spec=nnoesy, no=403, id=392, vol=2.812000e+05
    or (segid "    " and resid   22 and name   HN) (segid "    " and resid   20 and name  HG1)
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HD1) 3.405 1.449 1.449 weight 1.000 ! spec=nnoesy, no=405, id=394, vol=2.518000e+05
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   21 and name  HB1) 2.841 1.009 1.009 weight 1.000 ! spec=nnoesy, no=406, id=395, vol=7.458000e+05
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name  HE3) 3.150 1.240 1.240 weight 1.000 ! spec=nnoesy, no=407, id=396, vol=4.017000e+05
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name   HB) 2.961 1.096 1.096 weight 1.000 ! spec=nnoesy, no=410, id=399, vol=5.821000e+05
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   49 and name   HA) 2.868 1.028 1.028 weight 1.000 ! spec=nnoesy, no=412, id=401, vol=7.047000e+05
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name  HB2) 2.941 1.081 1.081 weight 1.000 ! spec=nnoesy, no=413, id=402, vol=6.058000e+05
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   55 and name  HB1) 3.179 1.264 1.264 weight 1.000 ! spec=nnoesy, no=414, id=403, vol=3.798000e+05
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   47 and name  HB1) 3.277 1.342 1.342 weight 1.000 ! spec=nnoesy, no=415, id=404, vol=3.167000e+05
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   48 and name   HB) 3.467 1.503 1.503 weight 1.000 ! spec=nnoesy, no=416, id=405, vol=2.258000e+05
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name HG21) 2.316 0.671 0.671 weight 1.000 ! spec=nnoesy, no=417, id=406, vol=2.540000e+06
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   56 and name HG23)
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   50 and name HG21) 3.197 1.277 1.277 weight 1.000 ! spec=nnoesy, no=418, id=407, vol=3.677000e+05
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   51 and name   HN) 3.328 1.385 1.385 weight 1.000 ! spec=nnoesy, no=419, id=408, vol=2.887000e+05
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   56 and name HG21) 3.142 1.234 1.234 weight 1.000 ! spec=nnoesy, no=425, id=414, vol=4.074000e+05
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   50 and name   HN) (segid "    " and resid   56 and name HG23)
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   45 and name  HA2) 3.118 1.215 1.215 weight 1.000 ! spec=nnoesy, no=427, id=416, vol=4.267000e+05
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name   HA) 2.488 0.773 0.773 weight 1.000 ! spec=nnoesy, no=428, id=417, vol=1.656000e+06
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   45 and name  HA1) 3.420 1.462 1.462 weight 1.000 ! spec=nnoesy, no=431, id=420, vol=2.450000e+05
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name   HB) 3.514 1.544 1.544 weight 1.000 ! spec=nnoesy, no=432, id=421, vol=2.083000e+05
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   74 and name  HB2) 2.645 0.875 0.875 weight 1.000 ! spec=nnoesy, no=433, id=422, vol=1.145000e+06
    or (segid "    " and resid   61 and name   HN) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   61 and name   HN) (segid "    " and resid   74 and name  HB3)
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HD12) 3.043 1.157 1.157 weight 1.000 ! spec=nnoesy, no=435, id=424, vol=4.946000e+05
    or (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HD11)
    or (segid "    " and resid   61 and name   HN) (segid "    " and resid   60 and name HD13)
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   75 and name   HN) 3.581 1.603 1.603 weight 1.000 ! spec=nnoesy, no=436, id=425, vol=1.859000e+05
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   74 and name   HN) 2.752 0.947 0.947 weight 1.000 ! spec=nnoesy, no=437, id=426, vol=9.027000e+05
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   64 and name  HE2) 3.607 1.626 1.626 weight 1.000 ! spec=nnoesy, no=439, id=428, vol=1.782000e+05
    or (segid "    " and resid   73 and name   HN) (segid "    " and resid   64 and name  HE1)
    or (segid "    " and resid   73 and name   HN) (segid "    " and resid   64 and name  HE3)
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   34 and name  HA1) 2.840 1.008 1.008 weight 1.000 ! spec=nnoesy, no=442, id=431, vol=7.480000e+05
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   54 and name   HN) 2.354 0.693 0.693 weight 1.000 ! spec=nnoesy, no=443, id=432, vol=2.307000e+06
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   54 and name   HN) 2.980 1.110 1.110 weight 1.000 ! spec=nnoesy, no=444, id=433, vol=5.599000e+05
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   50 and name   HB) 3.107 1.206 1.206 weight 1.000 ! spec=nnoesy, no=449, id=438, vol=4.365000e+05
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name  HB2) 3.439 1.478 1.478 weight 1.000 ! spec=nnoesy, no=450, id=439, vol=2.373000e+05
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   53 and name  HB1) 3.134 1.228 1.228 weight 1.000 ! spec=nnoesy, no=451, id=440, vol=4.140000e+05
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   50 and name HG21) 3.425 1.466 1.466 weight 1.000 ! spec=nnoesy, no=452, id=441, vol=2.432000e+05
    or (segid "    " and resid   54 and name   HN) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   54 and name   HN) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   64 and name   HA) 3.447 1.485 1.485 weight 1.000 ! spec=nnoesy, no=454, id=442, vol=2.338000e+05
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name   HA) 2.927 1.071 1.071 weight 1.000 ! spec=nnoesy, no=455, id=443, vol=6.243000e+05
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name   HA) 2.827 0.999 0.999 weight 1.000 ! spec=nnoesy, no=456, id=444, vol=7.678000e+05
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name  HB2) 3.037 1.153 1.153 weight 1.000 ! spec=nnoesy, no=457, id=445, vol=5.003000e+05
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   66 and name  HB1) 3.034 1.151 1.151 weight 1.000 ! spec=nnoesy, no=458, id=446, vol=5.028000e+05
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HD1) 2.894 1.047 1.047 weight 1.000 ! spec=nnoesy, no=459, id=447, vol=6.684000e+05
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HB1) 3.394 1.440 1.440 weight 1.000 ! spec=nnoesy, no=460, id=448, vol=2.568000e+05
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   64 and name  HB1) 2.395 0.717 0.717 weight 1.000 ! spec=nnoesy, no=461, id=449, vol=2.078000e+06
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   69 and name  HG2) 2.912 1.060 1.060 weight 1.000 ! spec=nnoesy, no=462, id=450, vol=6.437000e+05
    or (segid "    " and resid   66 and name   HN) (segid "    " and resid   69 and name  HG1)
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   45 and name  HA2) 2.931 1.074 1.074 weight 1.000 ! spec=nnoesy, no=463, id=451, vol=6.186000e+05
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   74 and name  HB2) 3.347 1.400 1.400 weight 1.000 ! spec=nnoesy, no=467, id=455, vol=2.792000e+05
    or (segid "    " and resid   45 and name   HN) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   45 and name   HN) (segid "    " and resid   74 and name  HB3)
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   32 and name   HA) 4.026 2.026 2.026 weight 1.000 ! spec=nnoesy, no=469, id=456, vol=9.213000e+04
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   43 and name   HN) 3.979 1.979 1.979 weight 1.000 ! spec=nnoesy, no=474, id=461, vol=9.888000e+04
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   45 and name   HN) 3.937 1.938 1.938 weight 1.000 ! spec=nnoesy, no=475, id=462, vol=1.053000e+05
assign (segid "    " and resid   55 and name  HE1) (segid "    " and resid   55 and name   HN) 3.891 1.892 1.892 weight 1.000 ! spec=nnoesy, no=478, id=463, vol=1.131000e+05
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   36 and name  HD2) 3.786 1.791 1.791 weight 1.000 ! spec=nnoesy, no=480, id=465, vol=1.333000e+05
    or (segid "    " and resid   39 and name   HN) (segid "    " and resid   36 and name  HD1)
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   40 and name   HA) 3.957 1.957 1.957 weight 1.000 ! spec=nnoesy, no=481, id=466, vol=1.022000e+05
assign (segid "    " and resid   39 and name   HN) (segid "    " and resid   40 and name   HN) 3.028 1.146 1.146 weight 1.000 ! spec=nnoesy, no=482, id=467, vol=5.086000e+05
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   50 and name HG21) 3.512 1.542 1.542 weight 1.000 ! spec=nnoesy, no=487, id=471, vol=2.090000e+05
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   50 and name HG22)
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   50 and name HG23)
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   21 and name  HB2) 2.891 1.045 1.045 weight 1.000 ! spec=nnoesy, no=488, id=472, vol=6.722000e+05
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   21 and name  HD2) 4.277 2.287 2.287 weight 1.000 ! spec=nnoesy, no=489, id=473, vol=6.408000e+04
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   21 and name  HE2) 3.826 1.830 1.830 weight 1.000 ! spec=nnoesy, no=490, id=474, vol=1.250000e+05
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   21 and name   HA) 3.809 1.813 1.813 weight 1.000 ! spec=nnoesy, no=492, id=476, vol=1.285000e+05
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   29 and name  HB1) 3.789 1.794 1.794 weight 1.000 ! spec=nnoesy, no=494, id=478, vol=1.326000e+05
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   47 and name   HN) 4.269 2.278 2.278 weight 1.000 ! spec=nnoesy, no=501, id=484, vol=6.482000e+04
assign (segid "    " and resid   27 and name   HN) (segid "    " and resid   28 and name   HN) 3.433 1.473 1.473 weight 1.000 ! spec=nnoesy, no=502, id=485, vol=2.396000e+05
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   29 and name   HN) 3.346 1.400 1.400 weight 1.000 ! spec=nnoesy, no=503, id=486, vol=2.795000e+05
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name  HB1) 4.054 2.055 2.055 weight 1.000 ! spec=nnoesy, no=504, id=487, vol=8.832000e+04
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   66 and name  HB2) 4.009 2.009 2.009 weight 1.000 ! spec=nnoesy, no=505, id=488, vol=9.446000e+04
assign (segid "    " and resid   67 and name   HN) (segid "    " and resid   68 and name   HN) 3.974 1.974 1.974 weight 1.000 ! spec=nnoesy, no=506, id=489, vol=9.964000e+04
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   67 and name HG12) 3.568 1.591 1.591 weight 1.000 ! spec=nnoesy, no=507, id=490, vol=1.901000e+05
    or (segid "    " and resid   70 and name   HN) (segid "    " and resid   67 and name HG11)
    or (segid "    " and resid   70 and name   HN) (segid "    " and resid   67 and name HG13)
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   71 and name  HG2) 3.831 1.835 1.835 weight 1.000 ! spec=nnoesy, no=508, id=491, vol=1.241000e+05
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   69 and name   HN) 2.546 0.810 0.810 weight 1.000 ! spec=nnoesy, no=510, id=493, vol=1.441000e+06
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   64 and name   HN) 3.965 1.966 1.966 weight 1.000 ! spec=nnoesy, no=511, id=494, vol=1.009000e+05
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   43 and name HG21) 3.728 1.737 1.737 weight 1.000 ! spec=nnoesy, no=512, id=495, vol=1.461000e+05
    or (segid "    " and resid   64 and name   HN) (segid "    " and resid   43 and name HG22)
    or (segid "    " and resid   64 and name   HN) (segid "    " and resid   43 and name HG23)
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   41 and name  HB1) 3.306 1.366 1.366 weight 1.000 ! spec=nnoesy, no=513, id=496, vol=3.003000e+05
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   41 and name  HB2) 3.367 1.417 1.417 weight 1.000 ! spec=nnoesy, no=514, id=497, vol=2.692000e+05
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   65 and name  HD2) 3.683 1.696 1.696 weight 1.000 ! spec=nnoesy, no=516, id=499, vol=1.572000e+05
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   49 and name   HA) 3.149 1.240 1.240 weight 1.000 ! spec=nnoesy, no=518, id=501, vol=4.021000e+05
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   76 and name   HA) 3.865 1.867 1.867 weight 1.000 ! spec=nnoesy, no=524, id=507, vol=1.177000e+05
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   77 and name   HN) 2.625 0.862 0.862 weight 1.000 ! spec=nnoesy, no=525, id=508, vol=1.198000e+06
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name   HN) 2.625 0.861 0.861 weight 1.000 ! spec=nnoesy, no=526, id=509, vol=1.199000e+06
assign (segid "    " and resid   40 and name   HN) (segid "    " and resid   38 and name  HB1) 4.054 2.054 2.054 weight 1.000 ! spec=nnoesy, no=527, id=510, vol=8.840000e+04
assign (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name HD12) 2.689 0.904 0.904 weight 1.000 ! spec=nnoesy, no=529, id=511, vol=1.038000e+06
    or (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name HD11)
    or (segid "    " and resid   17 and name   HN) (segid "    " and resid   17 and name HD13)
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   74 and name  HB2) 2.596 0.843 0.843 weight 1.000 ! spec=nnoesy, no=533, id=515, vol=1.281000e+06
    or (segid "    " and resid   46 and name   HN) (segid "    " and resid   74 and name  HB1)
    or (segid "    " and resid   46 and name   HN) (segid "    " and resid   74 and name  HB3)
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name   HN) 3.644 1.660 1.660 weight 1.000 ! spec=nnoesy, no=535, id=517, vol=1.675000e+05
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   45 and name   HN) 3.356 1.408 1.408 weight 1.000 ! spec=nnoesy, no=536, id=518, vol=2.744000e+05
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   80 and name  HB1) 2.731 0.932 0.932 weight 1.000 ! spec=nnoesy, no=537, id=519, vol=9.452000e+05
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   31 and name HG12) 3.625 1.642 1.642 weight 1.000 ! spec=nnoesy, no=539, id=521, vol=1.730000e+05
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   31 and name HG11)
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   31 and name HG13)
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   44 and name  HB2) 3.198 1.278 1.278 weight 1.000 ! spec=nnoesy, no=540, id=522, vol=3.667000e+05
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   44 and name  HB1)
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   45 and name  HA1) 3.827 1.831 1.831 weight 1.000 ! spec=nnoesy, no=541, id=523, vol=1.248000e+05
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   27 and name   HA) 3.895 1.897 1.897 weight 1.000 ! spec=nnoesy, no=542, id=524, vol=1.123000e+05
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   70 and name  HB2) 3.591 1.611 1.611 weight 1.000 ! spec=nnoesy, no=544, id=526, vol=1.831000e+05
    or (segid "    " and resid   42 and name   HN) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   42 and name   HN) (segid "    " and resid   70 and name  HB3)
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   42 and name  HB1) 2.962 1.097 1.097 weight 1.000 ! spec=nnoesy, no=545, id=527, vol=5.810000e+05
assign (segid "    " and resid   42 and name   HN) (segid "    " and resid   41 and name   HN) 3.797 1.802 1.802 weight 1.000 ! spec=nnoesy, no=547, id=529, vol=1.309000e+05
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name  HB1) 2.571 0.826 0.826 weight 1.000 ! spec=nnoesy, no=549, id=531, vol=1.359000e+06
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   19 and name   HA) 3.063 1.173 1.173 weight 1.000 ! spec=nnoesy, no=550, id=532, vol=4.747000e+05
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name   HA) 3.502 1.533 1.533 weight 1.000 ! spec=nnoesy, no=552, id=534, vol=2.126000e+05
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   71 and name  HG2) 3.509 1.540 1.540 weight 1.000 ! spec=nnoesy, no=567, id=548, vol=2.100000e+05
assign (segid "    " and resid   72 and name   HN) (segid "    " and resid   73 and name   HN) 2.641 0.872 0.872 weight 1.000 ! spec=nnoesy, no=572, id=552, vol=1.156000e+06
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   83 and name   HN) 2.711 0.918 0.918 weight 1.000 ! spec=nnoesy, no=574, id=554, vol=9.893000e+05
assign (segid "    " and resid   68 and name   HN) (segid "    " and resid   69 and name   HN) 2.964 1.098 1.098 weight 1.000 ! spec=nnoesy, no=576, id=556, vol=5.781000e+05
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   53 and name  HB2) 3.091 1.194 1.194 weight 1.000 ! spec=nnoesy, no=577, id=557, vol=4.502000e+05
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   52 and name  HB1) 3.177 1.262 1.262 weight 1.000 ! spec=nnoesy, no=578, id=558, vol=3.816000e+05
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   50 and name   HB) 3.075 1.182 1.182 weight 1.000 ! spec=nnoesy, no=579, id=559, vol=4.639000e+05
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   53 and name   HN) 2.675 0.894 0.894 weight 1.000 ! spec=nnoesy, no=582, id=562, vol=1.071000e+06
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   32 and name   HN) 3.503 1.534 1.534 weight 1.000 ! spec=nnoesy, no=583, id=563, vol=2.123000e+05
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   32 and name   HN) 2.408 0.725 0.725 weight 1.000 ! spec=nnoesy, no=584, id=564, vol=2.013000e+06
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   43 and name   HN) 2.833 1.004 1.004 weight 1.000 ! spec=nnoesy, no=585, id=565, vol=7.581000e+05
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   45 and name   HN) 3.755 1.763 1.763 weight 1.000 ! spec=nnoesy, no=586, id=566, vol=1.399000e+05
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   75 and name  HB2) 2.242 0.628 0.628 weight 1.000 ! spec=nnoesy, no=589, id=569, vol=3.091000e+06
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   75 and name  HB1)
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   75 and name  HB3)
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   77 and name   HN) 3.716 1.726 1.726 weight 1.000 ! spec=nnoesy, no=591, id=571, vol=1.490000e+05
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   46 and name HG12) 4.118 2.120 2.120 weight 1.000 ! spec=nnoesy, no=594, id=574, vol=8.042000e+04
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   46 and name HG11)
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   46 and name HG13)
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   42 and name   HN) 3.541 1.567 1.567 weight 1.000 ! spec=nnoesy, no=598, id=578, vol=1.991000e+05
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name  HB1) 2.897 1.049 1.049 weight 1.000 ! spec=nnoesy, no=602, id=582, vol=6.640000e+05
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   76 and name   HA) 3.600 1.620 1.620 weight 1.000 ! spec=nnoesy, no=603, id=583, vol=1.801000e+05
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   77 and name   HN) 3.803 1.808 1.808 weight 1.000 ! spec=nnoesy, no=604, id=584, vol=1.297000e+05
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name   HN) 2.778 0.965 0.965 weight 1.000 ! spec=nnoesy, no=605, id=585, vol=8.530000e+05
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   55 and name  HE3) 3.510 1.540 1.540 weight 1.000 ! spec=nnoesy, no=607, id=587, vol=2.099000e+05
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   53 and name  HB1) 4.004 2.004 2.004 weight 1.000 ! spec=nnoesy, no=609, id=589, vol=9.519000e+04
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   23 and name   HN) 3.395 1.441 1.441 weight 1.000 ! spec=nnoesy, no=612, id=592, vol=2.562000e+05
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   25 and name   HA) 2.889 1.044 1.044 weight 1.000 ! spec=nnoesy, no=613, id=593, vol=6.742000e+05
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   68 and name  HG1) 3.237 1.310 1.310 weight 1.000 ! spec=nnoesy, no=617, id=597, vol=3.408000e+05
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   66 and name  HB1) 3.636 1.653 1.653 weight 1.000 ! spec=nnoesy, no=618, id=598, vol=1.698000e+05
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   66 and name   HN) 3.375 1.424 1.424 weight 1.000 ! spec=nnoesy, no=619, id=599, vol=2.656000e+05
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   23 and name   HA) 3.966 1.966 1.966 weight 1.000 ! spec=nnoesy, no=622, id=602, vol=1.008000e+05
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   20 and name   HN) 3.245 1.316 1.316 weight 1.000 ! spec=nnoesy, no=623, id=603, vol=3.363000e+05
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   23 and name   HN) 2.364 0.698 0.698 weight 1.000 ! spec=nnoesy, no=624, id=604, vol=2.249000e+06
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   64 and name  HG1) 4.054 2.054 2.054 weight 1.000 ! spec=nnoesy, no=626, id=606, vol=8.843000e+04
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   64 and name  HG2) 3.848 1.851 1.851 weight 1.000 ! spec=nnoesy, no=627, id=607, vol=1.209000e+05
assign (segid "    " and resid   62 and name   HN) (segid "    " and resid   61 and name   HN) 3.304 1.364 1.364 weight 1.000 ! spec=nnoesy, no=629, id=608, vol=3.018000e+05
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   49 and name  HB1) 3.127 1.222 1.222 weight 1.000 ! spec=nnoesy, no=630, id=609, vol=4.199000e+05
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   54 and name  HA1) 3.281 1.345 1.345 weight 1.000 ! spec=nnoesy, no=631, id=610, vol=3.146000e+05
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   50 and name   HN) 3.201 1.281 1.281 weight 1.000 ! spec=nnoesy, no=638, id=617, vol=3.645000e+05
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   49 and name  HB1) 4.286 2.296 2.296 weight 1.000 ! spec=nnoesy, no=640, id=619, vol=6.331000e+04
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   47 and name  HD2) 3.698 1.710 1.710 weight 1.000 ! spec=nnoesy, no=642, id=621, vol=1.533000e+05
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   47 and name  HD1)
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   56 and name   HN) 2.836 1.006 1.006 weight 1.000 ! spec=nnoesy, no=644, id=623, vol=7.536000e+05
assign (segid "    " and resid   55 and name   HN) (segid "    " and resid   56 and name   HN) 3.339 1.393 1.393 weight 1.000 ! spec=nnoesy, no=645, id=624, vol=2.833000e+05
assign (segid "    " and resid   61 and name   HN) (segid "    " and resid   44 and name  HB2) 3.939 1.939 1.939 weight 1.000 ! spec=nnoesy, no=646, id=625, vol=1.051000e+05
    or (segid "    " and resid   61 and name   HN) (segid "    " and resid   44 and name  HB1)
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   61 and name   HN) 3.634 1.651 1.651 weight 1.000 ! spec=nnoesy, no=647, id=626, vol=1.703000e+05
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   76 and name HG22) 3.690 1.702 1.702 weight 1.000 ! spec=nnoesy, no=648, id=627, vol=1.553000e+05
    or (segid "    " and resid   73 and name   HN) (segid "    " and resid   76 and name HG21)
    or (segid "    " and resid   73 and name   HN) (segid "    " and resid   76 and name HG23)
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   40 and name  HG2) 3.441 1.480 1.480 weight 1.000 ! spec=nnoesy, no=653, id=632, vol=2.363000e+05
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   40 and name  HE1) 4.125 2.127 2.127 weight 1.000 ! spec=nnoesy, no=656, id=635, vol=7.964000e+04
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   40 and name   HA) 3.734 1.743 1.743 weight 1.000 ! spec=nnoesy, no=657, id=636, vol=1.447000e+05
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   42 and name   HA) 3.550 1.575 1.575 weight 1.000 ! spec=nnoesy, no=658, id=637, vol=1.961000e+05
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   50 and name   HA) 3.822 1.826 1.826 weight 1.000 ! spec=nnoesy, no=660, id=639, vol=1.258000e+05
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   55 and name   HN) 3.234 1.307 1.307 weight 1.000 ! spec=nnoesy, no=662, id=641, vol=3.429000e+05
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   54 and name   HN) 3.502 1.533 1.533 weight 1.000 ! spec=nnoesy, no=663, id=642, vol=2.127000e+05
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   67 and name HG12) 3.905 1.906 1.906 weight 1.000 ! spec=nnoesy, no=664, id=643, vol=1.106000e+05
    or (segid "    " and resid   66 and name   HN) (segid "    " and resid   67 and name HG11)
    or (segid "    " and resid   66 and name   HN) (segid "    " and resid   67 and name HG13)
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   69 and name  HD2) 2.539 0.806 0.806 weight 1.000 ! spec=nnoesy, no=665, id=644, vol=1.463000e+06
    or (segid "    " and resid   66 and name   HN) (segid "    " and resid   69 and name  HD1)
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   65 and name  HB2) 3.743 1.751 1.751 weight 1.000 ! spec=nnoesy, no=666, id=645, vol=1.427000e+05
assign (segid "    " and resid   66 and name   HN) (segid "    " and resid   67 and name   HN) 3.966 1.966 1.966 weight 1.000 ! spec=nnoesy, no=670, id=647, vol=1.008000e+05
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   29 and name   HA) 3.955 1.955 1.955 weight 1.000 ! spec=nnoesy, no=672, id=649, vol=1.025000e+05
assign (segid "    " and resid   31 and name   HN) (segid "    " and resid   45 and name   HN) 3.214 1.291 1.291 weight 1.000 ! spec=nnoesy, no=675, id=652, vol=3.560000e+05
assign (segid "    " and resid   57 and name   HN) (segid "    " and resid   56 and name   HN) 3.705 1.716 1.716 weight 1.000 ! spec=nnoesy, no=680, id=656, vol=1.516000e+05
assign (segid "    " and resid   23 and name  HE3) (segid "    " and resid   24 and name  HG2) 3.794 1.800 1.800 weight 1.000 ! spec=2doesy, no=22, id=1487, vol=4.736000e+04
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   49 and name  HB2)
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   82 and name  HB2)
assign (segid "    " and resid   23 and name  HE3) (segid "    " and resid   21 and name  HD2) 3.751 1.758 1.758 weight 1.000 ! spec=2doesy, no=30, id=1492, vol=5.078000e+04
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   78 and name HD22)
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   78 and name HD23)
assign (segid "    " and resid   23 and name  HE3) (segid "    " and resid   82 and name HD22) 3.068 1.176 1.176 weight 1.000 ! spec=2doesy, no=34, id=1496, vol=1.696000e+05
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   82 and name HD21)
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   82 and name HD23)
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   82 and name HD12)
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   23 and name  HE3) (segid "    " and resid   82 and name HD13)
assign (segid "    " and resid   42 and name  HD1) (segid "    " and resid   30 and name  HB1) 3.747 1.755 1.755 weight 1.000 ! spec=2doesy, no=106, id=1534, vol=5.111000e+04
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   30 and name  HB1)
    or (segid "    " and resid   44 and name  HD1) (segid "    " and resid   30 and name  HB1)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   30 and name  HB1)
assign (segid "    " and resid   28 and name  HD1) (segid "    " and resid   25 and name  HE2) 3.994 1.994 1.994 weight 1.000 ! spec=2doesy, no=109, id=1537, vol=3.483000e+04
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   25 and name  HE1)
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   25 and name  HE3)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   25 and name  HE2)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   25 and name  HE1)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   25 and name  HE3)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   64 and name  HE2)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   64 and name  HE1)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   64 and name  HE3)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   64 and name  HE2)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   64 and name  HE1)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   64 and name  HE3)
assign (segid "    " and resid   55 and name  HZ3) (segid "    " and resid   24 and name  HG2) 3.983 1.983 1.983 weight 1.000 ! spec=2doesy, no=119, id=1541, vol=3.539000e+04
    or (segid "    " and resid   55 and name  HZ3) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   55 and name  HZ3) (segid "    " and resid   49 and name  HB2)
assign (segid "    " and resid   55 and name  HZ2) (segid "    " and resid   24 and name  HG2) 3.574 1.597 1.597 weight 1.000 ! spec=2doesy, no=120, id=1542, vol=6.780000e+04
    or (segid "    " and resid   55 and name  HZ2) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   55 and name  HZ2) (segid "    " and resid   49 and name  HB2)
assign (segid "    " and resid   55 and name  HH2) (segid "    " and resid   24 and name  HG2) 3.499 1.530 1.530 weight 1.000 ! spec=2doesy, no=121, id=1543, vol=7.701000e+04
    or (segid "    " and resid   55 and name  HH2) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   55 and name  HH2) (segid "    " and resid   49 and name  HB2)
assign (segid "    " and resid   23 and name  HD1) (segid "    " and resid   24 and name  HG2) 3.645 1.661 1.661 weight 1.000 ! spec=2doesy, no=122, id=1544, vol=6.024000e+04
    or (segid "    " and resid   23 and name  HD1) (segid "    " and resid   24 and name  HG1)
    or (segid "    " and resid   23 and name  HD1) (segid "    " and resid   49 and name  HB2)
assign (segid "    " and resid   42 and name  HE1) (segid "    " and resid   33 and name  HB2) 2.879 1.036 1.036 weight 1.000 ! spec=2doesy, no=138, id=1549, vol=2.484000e+05
    or (segid "    " and resid   42 and name  HE1) (segid "    " and resid   33 and name  HB1)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   33 and name  HB2)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   33 and name  HB1)
    or (segid "    " and resid   42 and name  HE1) (segid "    " and resid   70 and name  HB2)
    or (segid "    " and resid   42 and name  HE1) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   42 and name  HE1) (segid "    " and resid   70 and name  HB3)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   70 and name  HB2)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   70 and name  HB3)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   70 and name  HB2)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   70 and name  HB3)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   70 and name  HB2)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   70 and name  HB3)
assign (segid "    " and resid   44 and name  HD1) (segid "    " and resid   70 and name  HB2) 2.280 0.650 0.650 weight 1.000 ! spec=2doesy, no=140, id=1550, vol=1.007000e+06
    or (segid "    " and resid   44 and name  HD1) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   44 and name  HD1) (segid "    " and resid   70 and name  HB3)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   70 and name  HB2)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   70 and name  HB3)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   70 and name  HB2)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   70 and name  HB3)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   70 and name  HB2)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   70 and name  HB1)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   70 and name  HB3)
assign (segid "    " and resid   28 and name  HD1) (segid "    " and resid   26 and name  HB2) 2.603 0.847 0.847 weight 1.000 ! spec=2doesy, no=150, id=1556, vol=4.542000e+05
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   26 and name  HB2)
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   75 and name  HB2)
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   75 and name  HB1)
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   75 and name  HB3)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   75 and name  HB2)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   75 and name  HB1)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   75 and name  HB3)
assign (segid "    " and resid   26 and name  HB2) (segid "    " and resid   28 and name  HE1) 2.544 0.809 0.809 weight 1.000 ! spec=2doesy, no=153, id=1558, vol=5.214000e+05
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   26 and name  HB2)
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   75 and name  HB2)
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   75 and name  HB1)
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   75 and name  HB3)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   75 and name  HB2)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   75 and name  HB1)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   75 and name  HB3)
assign (segid "    " and resid   55 and name  HE3) (segid "    " and resid   47 and name  HG2) 3.237 1.310 1.310 weight 1.000 ! spec=2doesy, no=166, id=1562, vol=1.229000e+05
    or (segid "    " and resid   55 and name  HE3) (segid "    " and resid   48 and name   HB)
assign (segid "    " and resid   42 and name  HE1) (segid "    " and resid   67 and name   HB) 3.476 1.510 1.510 weight 1.000 ! spec=2doesy, no=185, id=1575, vol=8.018000e+04
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   67 and name   HB)
    or (segid "    " and resid   42 and name  HE1) (segid "    " and resid   69 and name  HG2)
    or (segid "    " and resid   42 and name  HE1) (segid "    " and resid   69 and name  HG1)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   69 and name  HG2)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   69 and name  HG1)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   47 and name  HG1)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   47 and name  HG1)
assign (segid "    " and resid   28 and name  HD1) (segid "    " and resid   26 and name  HB1) 3.076 1.183 1.183 weight 1.000 ! spec=2doesy, no=187, id=1576, vol=1.668000e+05
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   26 and name  HB1)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   67 and name   HB)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   67 and name   HB)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   69 and name  HG2)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   69 and name  HG1)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   69 and name  HG2)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   69 and name  HG1)
assign (segid "    " and resid   28 and name  HD1) (segid "    " and resid   78 and name  HB1) 3.837 1.840 1.840 weight 1.000 ! spec=2doesy, no=194, id=1579, vol=4.432000e+04
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   78 and name  HB1)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   41 and name  HB2)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   41 and name  HB2)
assign (segid "    " and resid   42 and name  HD1) (segid "    " and resid   40 and name  HB1) 3.824 1.828 1.828 weight 1.000 ! spec=2doesy, no=204, id=1587, vol=4.522000e+04
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   40 and name  HB1)
    or (segid "    " and resid   42 and name  HD1) (segid "    " and resid   40 and name  HG1)
    or (segid "    " and resid   42 and name  HD2) (segid "    " and resid   40 and name  HG1)
assign (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   21 and name  HD2) 3.477 1.512 1.512 weight 1.000 ! spec=2doesy, no=221, id=1595, vol=7.993000e+04
    or (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   78 and name HD22)
    or (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   23 and name  HZ3) (segid "    " and resid   78 and name HD23)
assign (segid "    " and resid   42 and name  HE1) (segid "    " and resid   39 and name  HB2) 3.816 1.821 1.821 weight 1.000 ! spec=2doesy, no=225, id=1598, vol=4.575000e+04
    or (segid "    " and resid   42 and name  HE1) (segid "    " and resid   39 and name  HB1)
    or (segid "    " and resid   42 and name  HE1) (segid "    " and resid   39 and name  HB3)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   39 and name  HB2)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   39 and name  HB1)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   39 and name  HB3)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   60 and name HG22)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   60 and name HG21)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   60 and name HG23)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   60 and name HG22)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   60 and name HG21)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   60 and name HG23)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   82 and name HD22)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   82 and name HD21)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   82 and name HD23)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   82 and name HD22)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   82 and name HD21)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   82 and name HD23)
assign (segid "    " and resid   42 and name  HE1) (segid "    " and resid   40 and name  HE2) 3.205 1.284 1.284 weight 1.000 ! spec=2doesy, no=315, id=1642, vol=1.304000e+05
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   40 and name  HE2)
    or (segid "    " and resid   55 and name  HD1) (segid "    " and resid   47 and name  HD2)
    or (segid "    " and resid   55 and name  HD1) (segid "    " and resid   47 and name  HD1)
assign (segid "    " and resid   55 and name  HH2) (segid "    " and resid   27 and name   HA) 3.899 1.901 1.901 weight 1.000 ! spec=2doesy, no=368, id=1666, vol=4.021000e+04
    or (segid "    " and resid   55 and name  HH2) (segid "    " and resid   48 and name   HA)
assign (segid "    " and resid   28 and name  HE1) (segid "    " and resid   26 and name   HA) 3.682 1.695 1.695 weight 1.000 ! spec=2doesy, no=385, id=1676, vol=5.673000e+04
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   26 and name   HA)
    or (segid "    " and resid   28 and name  HE1) (segid "    " and resid   72 and name   HA)
    or (segid "    " and resid   28 and name  HE2) (segid "    " and resid   72 and name   HA)
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   27 and name  HB1) 3.980 1.980 1.980 weight 1.000 ! spec=2doesy, no=419, id=1695, vol=3.557000e+04
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   27 and name  HB1)
    or (segid "    " and resid   55 and name  HD1) (segid "    " and resid   27 and name  HB1)
assign (segid "    " and resid   42 and name  HE1) (segid "    " and resid   42 and name  HD1) 1.871 0.437 0.437 weight 1.000 ! spec=2doesy, no=452, id=1719, vol=3.299000e+06
    or (segid "    " and resid   42 and name  HE1) (segid "    " and resid   42 and name  HD2)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   42 and name  HD1)
    or (segid "    " and resid   42 and name  HE2) (segid "    " and resid   42 and name  HD2)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   44 and name  HD1)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   44 and name  HD2)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   44 and name  HD1)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   44 and name  HD2)
assign (segid "    " and resid   44 and name  HE1) (segid "    " and resid   61 and name  HA1) 3.517 1.546 1.546 weight 1.000 ! spec=2doesy, no=479, id=1729, vol=7.465000e+04
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   61 and name  HA1)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   73 and name  HB2)
    or (segid "    " and resid   44 and name  HE1) (segid "    " and resid   73 and name  HB1)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   73 and name  HB2)
    or (segid "    " and resid   44 and name  HE2) (segid "    " and resid   73 and name  HB1)
assign (segid "    " and resid   28 and name  HD1) (segid "    " and resid   46 and name HG22) 3.253 1.323 1.323 weight 1.000 ! spec=2doesy, no=520, id=1739, vol=1.192000e+05
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   28 and name  HD1) (segid "    " and resid   46 and name HG23)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   46 and name HG22)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   28 and name  HD2) (segid "    " and resid   46 and name HG23)
    or (segid "    " and resid   44 and name  HD1) (segid "    " and resid   46 and name HG22)
    or (segid "    " and resid   44 and name  HD1) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   44 and name  HD1) (segid "    " and resid   46 and name HG23)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   46 and name HG22)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   44 and name  HD2) (segid "    " and resid   46 and name HG23)
assign (segid "    " and resid   76 and name   HA) (segid "    " and resid   76 and name HG12) 2.041 0.521 0.521 weight 1.000 ! spec=cnoesy, no=22, id=679, vol=5.469151e+06
    or (segid "    " and resid   76 and name   HA) (segid "    " and resid   76 and name HG11)
    or (segid "    " and resid   76 and name   HA) (segid "    " and resid   76 and name HG13)
    or (segid "    " and resid   76 and name   HA) (segid "    " and resid   76 and name HG22)
    or (segid "    " and resid   76 and name   HA) (segid "    " and resid   76 and name HG21)
    or (segid "    " and resid   76 and name   HA) (segid "    " and resid   76 and name HG23)
assign (segid "    " and resid   76 and name   HA) (segid "    " and resid   79 and name HD12) 2.408 0.725 0.725 weight 1.000 ! spec=cnoesy, no=23, id=680, vol=2.025948e+06
    or (segid "    " and resid   76 and name   HA) (segid "    " and resid   79 and name HD11)
    or (segid "    " and resid   76 and name   HA) (segid "    " and resid   79 and name HD13)
    or (segid "    " and resid   76 and name   HA) (segid "    " and resid   79 and name HD22)
    or (segid "    " and resid   76 and name   HA) (segid "    " and resid   79 and name HD21)
    or (segid "    " and resid   76 and name   HA) (segid "    " and resid   79 and name HD23)
assign (segid "    " and resid   65 and name   HA) (segid "    " and resid   65 and name  HG1) 2.699 0.910 0.910 weight 1.000 ! spec=cnoesy, no=49, id=705, vol=1.023362e+06
    or (segid "    " and resid   65 and name   HA) (segid "    " and resid   65 and name  HG2)
assign (segid "    " and resid   85 and name   HA) (segid "    " and resid   84 and name  HB2) 3.487 1.520 1.520 weight 1.000 ! spec=cnoesy, no=61, id=716, vol=2.197484e+05
    or (segid "    " and resid   85 and name   HA) (segid "    " and resid   84 and name  HB1)
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   51 and name  HB2) 2.844 1.011 1.011 weight 1.000 ! spec=cnoesy, no=64, id=719, vol=7.464567e+05
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   51 and name  HB1)
assign (segid "    " and resid   51 and name  HB2) (segid "    " and resid   23 and name  HD1) 2.681 0.898 0.898 weight 1.000 ! spec=cnoesy, no=65, id=720, vol=1.064980e+06
    or (segid "    " and resid   51 and name  HB1) (segid "    " and resid   23 and name  HD1)
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   73 and name  HB2) 2.452 0.751 0.751 weight 1.000 ! spec=cnoesy, no=84, id=736, vol=1.820041e+06
    or (segid "    " and resid   73 and name   HN) (segid "    " and resid   73 and name  HB1)
assign (segid "    " and resid   50 and name   HA) (segid "    " and resid   51 and name  HB1) 2.922 1.067 1.067 weight 1.000 ! spec=cnoesy, no=98, id=750, vol=6.350393e+05
    or (segid "    " and resid   50 and name   HA) (segid "    " and resid   51 and name  HB2)
assign (segid "    " and resid   69 and name   HA) (segid "    " and resid   69 and name  HB2) 2.287 0.654 0.654 weight 1.000 ! spec=cnoesy, no=117, id=769, vol=2.764216e+06
    or (segid "    " and resid   69 and name   HA) (segid "    " and resid   69 and name  HB1)
assign (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HG2) 2.048 0.524 0.524 weight 1.000 ! spec=cnoesy, no=121, id=773, vol=5.360494e+06
    or (segid "    " and resid   20 and name   HA) (segid "    " and resid   20 and name  HG1)
assign (segid "    " and resid   79 and name   HA) (segid "    " and resid   79 and name HD22) 2.096 0.549 0.549 weight 1.000 ! spec=cnoesy, no=126, id=778, vol=4.668516e+06
    or (segid "    " and resid   79 and name   HA) (segid "    " and resid   79 and name HD21)
    or (segid "    " and resid   79 and name   HA) (segid "    " and resid   79 and name HD23)
    or (segid "    " and resid   79 and name   HA) (segid "    " and resid   79 and name HD12)
    or (segid "    " and resid   79 and name   HA) (segid "    " and resid   79 and name HD11)
    or (segid "    " and resid   79 and name   HA) (segid "    " and resid   79 and name HD13)
assign (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD22) 1.961 0.480 0.480 weight 1.000 ! spec=cnoesy, no=139, id=790, vol=6.961403e+06
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD23)
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD12)
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   19 and name   HA) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name  HB1) 2.227 0.620 0.620 weight 1.000 ! spec=cnoesy, no=146, id=797, vol=3.242687e+06
    or (segid "    " and resid   28 and name   HA) (segid "    " and resid   28 and name  HB2)
assign (segid "    " and resid   78 and name   HA) (segid "    " and resid   82 and name HD22) 2.447 0.748 0.748 weight 1.000 ! spec=cnoesy, no=152, id=803, vol=1.842370e+06
    or (segid "    " and resid   78 and name   HA) (segid "    " and resid   82 and name HD21)
    or (segid "    " and resid   78 and name   HA) (segid "    " and resid   82 and name HD23)
    or (segid "    " and resid   78 and name   HA) (segid "    " and resid   81 and name HD22)
    or (segid "    " and resid   78 and name   HA) (segid "    " and resid   81 and name HD21)
    or (segid "    " and resid   78 and name   HA) (segid "    " and resid   81 and name HD23)
    or (segid "    " and resid   78 and name   HA) (segid "    " and resid   81 and name HD12)
    or (segid "    " and resid   78 and name   HA) (segid "    " and resid   81 and name HD11)
    or (segid "    " and resid   78 and name   HA) (segid "    " and resid   81 and name HD13)
assign (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name HD22) 2.394 0.716 0.716 weight 1.000 ! spec=cnoesy, no=153, id=804, vol=2.100029e+06
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name HD23)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name HD12)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   16 and name   HA) (segid "    " and resid   19 and name HD13)
assign (segid "    " and resid   84 and name   HA) (segid "    " and resid   84 and name  HB2) 1.977 0.488 0.488 weight 1.000 ! spec=cnoesy, no=163, id=813, vol=6.625252e+06
    or (segid "    " and resid   84 and name   HA) (segid "    " and resid   84 and name  HB1)
assign (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB2) 2.008 0.504 0.504 weight 1.000 ! spec=cnoesy, no=168, id=818, vol=6.029075e+06
    or (segid "    " and resid   15 and name   HA) (segid "    " and resid   15 and name  HB1)
assign (segid "    " and resid   44 and name   HA) (segid "    " and resid   44 and name  HB2) 2.170 0.589 0.589 weight 1.000 ! spec=cnoesy, no=173, id=822, vol=3.787803e+06
    or (segid "    " and resid   44 and name   HA) (segid "    " and resid   44 and name  HB1)
assign (segid "    " and resid   33 and name   HA) (segid "    " and resid   33 and name  HB1) 2.236 0.625 0.625 weight 1.000 ! spec=cnoesy, no=201, id=850, vol=3.159804e+06
    or (segid "    " and resid   33 and name   HA) (segid "    " and resid   33 and name  HB2)
assign (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HB1) 2.037 0.518 0.518 weight 1.000 ! spec=cnoesy, no=204, id=853, vol=5.540719e+06
    or (segid "    " and resid   47 and name   HA) (segid "    " and resid   47 and name  HB2)
assign (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HD2) 3.085 1.189 1.189 weight 1.000 ! spec=cnoesy, no=209, id=858, vol=4.590533e+05
    or (segid "    " and resid   53 and name   HA) (segid "    " and resid   53 and name  HD1)
assign (segid "    " and resid   64 and name   HA) (segid "    " and resid   64 and name  HB2) 2.184 0.596 0.596 weight 1.000 ! spec=cnoesy, no=231, id=879, vol=3.646867e+06
    or (segid "    " and resid   64 and name   HA) (segid "    " and resid   64 and name  HB1)
assign (segid "    " and resid   65 and name  HD2) (segid "    " and resid   65 and name  HG2) 2.153 0.579 0.579 weight 1.000 ! spec=cnoesy, no=240, id=888, vol=3.972601e+06
    or (segid "    " and resid   65 and name  HD2) (segid "    " and resid   65 and name  HG1)
assign (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name  HG1) 3.570 1.593 1.593 weight 1.000 ! spec=cnoesy, no=264, id=911, vol=1.911000e+05
    or (segid "    " and resid   24 and name  HD1) (segid "    " and resid   24 and name  HG2)
assign (segid "    " and resid   36 and name  HD1) (segid "    " and resid   35 and name  HA1) 1.936 0.468 0.468 weight 1.000 ! spec=cnoesy, no=296, id=942, vol=7.516144e+06
    or (segid "    " and resid   36 and name  HD2) (segid "    " and resid   35 and name  HA1)
assign (segid "    " and resid   53 and name  HD2) (segid "    " and resid   53 and name  HB1) 1.889 0.446 0.446 weight 1.000 ! spec=cnoesy, no=307, id=953, vol=8.693229e+06
    or (segid "    " and resid   53 and name  HD1) (segid "    " and resid   53 and name  HB1)
assign (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HB1) 2.740 0.938 0.938 weight 1.000 ! spec=cnoesy, no=309, id=954, vol=9.345310e+05
    or (segid "    " and resid   44 and name   HN) (segid "    " and resid   44 and name  HB2)
assign (segid "    " and resid   71 and name   HA) (segid "    " and resid   44 and name  HB2) 2.847 1.013 1.013 weight 1.000 ! spec=cnoesy, no=310, id=955, vol=7.423582e+05
    or (segid "    " and resid   71 and name   HA) (segid "    " and resid   44 and name  HB1)
assign (segid "    " and resid   68 and name  HE1) (segid "    " and resid   68 and name  HD1) 1.920 0.461 0.461 weight 1.000 ! spec=cnoesy, no=322, id=966, vol=7.882298e+06
    or (segid "    " and resid   68 and name  HE2) (segid "    " and resid   68 and name  HD1)
    or (segid "    " and resid   68 and name  HE2) (segid "    " and resid   68 and name  HD2)
assign (segid "    " and resid   68 and name  HE2) (segid "    " and resid   68 and name  HG2) 2.394 0.716 0.716 weight 1.000 ! spec=cnoesy, no=323, id=967, vol=2.101626e+06
    or (segid "    " and resid   68 and name  HE1) (segid "    " and resid   68 and name  HG2)
assign (segid "    " and resid   32 and name  HE1) (segid "    " and resid   32 and name  HD2) 1.917 0.459 0.459 weight 1.000 ! spec=cnoesy, no=324, id=968, vol=7.964456e+06
    or (segid "    " and resid   32 and name  HE1) (segid "    " and resid   32 and name  HD1)
assign (segid "    " and resid   28 and name  HB1) (segid "    " and resid   28 and name  HD1) 2.050 0.526 0.526 weight 1.000 ! spec=cnoesy, no=339, id=982, vol=5.319184e+06
    or (segid "    " and resid   28 and name  HB2) (segid "    " and resid   28 and name  HD1)
assign (segid "    " and resid   69 and name  HE2) (segid "    " and resid   69 and name  HG2) 3.835 1.838 1.838 weight 1.000 ! spec=cnoesy, no=341, id=984, vol=1.243000e+05
    or (segid "    " and resid   69 and name  HE1) (segid "    " and resid   69 and name  HG1)
    or (segid "    " and resid   69 and name  HE2) (segid "    " and resid   69 and name  HG1)
assign (segid "    " and resid   69 and name  HE1) (segid "    " and resid   69 and name  HD2) 1.937 0.469 0.469 weight 1.000 ! spec=cnoesy, no=342, id=985, vol=7.477183e+06
    or (segid "    " and resid   69 and name  HE2) (segid "    " and resid   69 and name  HD1)
    or (segid "    " and resid   69 and name  HE2) (segid "    " and resid   69 and name  HD2)
assign (segid "    " and resid   69 and name  HE2) (segid "    " and resid   69 and name  HB2) 2.448 0.749 0.749 weight 1.000 ! spec=cnoesy, no=343, id=986, vol=1.836359e+06
    or (segid "    " and resid   69 and name  HE1) (segid "    " and resid   69 and name  HB1)
    or (segid "    " and resid   69 and name  HE1) (segid "    " and resid   69 and name  HB2)
assign (segid "    " and resid   68 and name  HE1) (segid "    " and resid   68 and name  HG1) 2.323 0.675 0.675 weight 1.000 ! spec=cnoesy, no=344, id=987, vol=2.513120e+06
    or (segid "    " and resid   68 and name  HE2) (segid "    " and resid   68 and name  HG1)
assign (segid "    " and resid   40 and name  HE2) (segid "    " and resid   40 and name  HD1) 2.208 0.610 0.610 weight 1.000 ! spec=cnoesy, no=346, id=988, vol=3.409711e+06
    or (segid "    " and resid   40 and name  HE2) (segid "    " and resid   40 and name  HD2)
assign (segid "    " and resid   40 and name  HE1) (segid "    " and resid   40 and name  HD2) 2.336 0.682 0.682 weight 1.000 ! spec=cnoesy, no=348, id=990, vol=2.431183e+06
    or (segid "    " and resid   40 and name  HE1) (segid "    " and resid   40 and name  HD1)
assign (segid "    " and resid   81 and name  HB2) (segid "    " and resid   81 and name HD22) 2.054 0.527 0.527 weight 1.000 ! spec=cnoesy, no=358, id=1000, vol=5.271919e+06
    or (segid "    " and resid   81 and name  HB2) (segid "    " and resid   81 and name HD21)
    or (segid "    " and resid   81 and name  HB2) (segid "    " and resid   81 and name HD23)
    or (segid "    " and resid   81 and name  HB2) (segid "    " and resid   81 and name HD12)
    or (segid "    " and resid   81 and name  HB2) (segid "    " and resid   81 and name HD11)
    or (segid "    " and resid   81 and name  HB2) (segid "    " and resid   81 and name HD13)
assign (segid "    " and resid   79 and name  HB2) (segid "    " and resid   79 and name HD12) 2.309 0.666 0.666 weight 1.000 ! spec=cnoesy, no=371, id=1012, vol=2.609229e+06
    or (segid "    " and resid   79 and name  HB2) (segid "    " and resid   79 and name HD11)
    or (segid "    " and resid   79 and name  HB2) (segid "    " and resid   79 and name HD13)
    or (segid "    " and resid   79 and name  HB2) (segid "    " and resid   79 and name HD22)
    or (segid "    " and resid   79 and name  HB2) (segid "    " and resid   79 and name HD21)
    or (segid "    " and resid   79 and name  HB2) (segid "    " and resid   79 and name HD23)
assign (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD12) 2.157 0.582 0.582 weight 1.000 ! spec=cnoesy, no=377, id=1018, vol=3.924924e+06
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD13)
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD22)
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   19 and name  HB2) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid   77 and name  HB1) (segid "    " and resid   59 and name  HB2) 2.589 0.838 0.838 weight 1.000 ! spec=cnoesy, no=383, id=1024, vol=1.311960e+06
    or (segid "    " and resid   77 and name  HB1) (segid "    " and resid   59 and name  HB1)
assign (segid "    " and resid   82 and name  HB1) (segid "    " and resid   82 and name HD22) 1.928 0.465 0.465 weight 1.000 ! spec=cnoesy, no=385, id=1026, vol=7.688149e+06
    or (segid "    " and resid   82 and name  HB1) (segid "    " and resid   82 and name HD21)
    or (segid "    " and resid   82 and name  HB1) (segid "    " and resid   82 and name HD23)
    or (segid "    " and resid   82 and name  HB1) (segid "    " and resid   82 and name HD12)
    or (segid "    " and resid   82 and name  HB1) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   82 and name  HB1) (segid "    " and resid   82 and name HD13)
assign (segid "    " and resid   78 and name  HB2) (segid "    " and resid   79 and name HD12) 2.477 0.767 0.767 weight 1.000 ! spec=cnoesy, no=395, id=1036, vol=1.713095e+06
    or (segid "    " and resid   78 and name  HB2) (segid "    " and resid   79 and name HD11)
    or (segid "    " and resid   78 and name  HB2) (segid "    " and resid   79 and name HD13)
    or (segid "    " and resid   78 and name  HB2) (segid "    " and resid   79 and name HD22)
    or (segid "    " and resid   78 and name  HB2) (segid "    " and resid   79 and name HD21)
    or (segid "    " and resid   78 and name  HB2) (segid "    " and resid   79 and name HD23)
assign (segid "    " and resid   78 and name  HB1) (segid "    " and resid   78 and name HD22) 2.121 0.562 0.562 weight 1.000 ! spec=cnoesy, no=399, id=1040, vol=4.346285e+06
    or (segid "    " and resid   78 and name  HB1) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   78 and name  HB1) (segid "    " and resid   78 and name HD23)
    or (segid "    " and resid   78 and name  HB1) (segid "    " and resid   78 and name HD12)
    or (segid "    " and resid   78 and name  HB1) (segid "    " and resid   78 and name HD11)
    or (segid "    " and resid   78 and name  HB1) (segid "    " and resid   78 and name HD13)
assign (segid "    " and resid   64 and name  HB1) (segid "    " and resid   70 and name   HA) 2.467 0.761 0.761 weight 1.000 ! spec=cnoesy, no=420, id=1060, vol=1.754291e+06
    or (segid "    " and resid   64 and name  HB2) (segid "    " and resid   70 and name   HA)
assign (segid "    " and resid   64 and name  HB1) (segid "    " and resid   64 and name  HG2) 2.632 0.866 0.866 weight 1.000 ! spec=cnoesy, no=429, id=1069, vol=1.187920e+06
    or (segid "    " and resid   64 and name  HB2) (segid "    " and resid   64 and name  HG2)
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name  HG1) 2.563 0.821 0.821 weight 1.000 ! spec=cnoesy, no=431, id=1071, vol=1.395711e+06
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   58 and name  HG2)
assign (segid "    " and resid   58 and name  HG2) (segid "    " and resid   58 and name   HA) 2.417 0.730 0.730 weight 1.000 ! spec=cnoesy, no=432, id=1072, vol=1.985110e+06
    or (segid "    " and resid   58 and name  HG1) (segid "    " and resid   58 and name   HA)
assign (segid "    " and resid   58 and name  HG1) (segid "    " and resid   58 and name  HB1) 2.237 0.626 0.626 weight 1.000 ! spec=cnoesy, no=434, id=1074, vol=3.151171e+06
    or (segid "    " and resid   58 and name  HG2) (segid "    " and resid   58 and name  HB1)
assign (segid "    " and resid   33 and name  HG2) (segid "    " and resid   33 and name   HA) 2.692 0.906 0.906 weight 1.000 ! spec=cnoesy, no=453, id=1093, vol=1.039592e+06
    or (segid "    " and resid   33 and name  HG1) (segid "    " and resid   33 and name   HA)
assign (segid "    " and resid   47 and name  HB2) (segid "    " and resid   47 and name  HD2) 2.418 0.731 0.731 weight 1.000 ! spec=cnoesy, no=465, id=1105, vol=1.977675e+06
    or (segid "    " and resid   47 and name  HB1) (segid "    " and resid   47 and name  HD1)
    or (segid "    " and resid   47 and name  HB2) (segid "    " and resid   47 and name  HD1)
assign (segid "    " and resid   69 and name  HB1) (segid "    " and resid   69 and name  HG2) 4.204 2.209 2.209 weight 1.000 ! spec=cnoesy, no=495, id=1134, vol=7.162000e+04
    or (segid "    " and resid   69 and name  HB2) (segid "    " and resid   69 and name  HG1)
    or (segid "    " and resid   69 and name  HB2) (segid "    " and resid   69 and name  HG2)
assign (segid "    " and resid   64 and name  HB1) (segid "    " and resid   64 and name  HG1) 2.223 0.618 0.618 weight 1.000 ! spec=cnoesy, no=514, id=1152, vol=3.272589e+06
    or (segid "    " and resid   64 and name  HB2) (segid "    " and resid   64 and name  HG1)
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   36 and name  HB2) 2.623 0.860 0.860 weight 1.000 ! spec=cnoesy, no=516, id=1154, vol=1.213124e+06
    or (segid "    " and resid   36 and name  HD1) (segid "    " and resid   36 and name  HB2)
assign (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name  HB2) 2.812 0.989 0.989 weight 1.000 ! spec=cnoesy, no=518, id=1156, vol=7.989388e+05
    or (segid "    " and resid   33 and name   HN) (segid "    " and resid   33 and name  HB1)
assign (segid "    " and resid   36 and name  HB1) (segid "    " and resid   36 and name  HD2) 2.917 1.064 1.064 weight 1.000 ! spec=cnoesy, no=519, id=1157, vol=6.413208e+05
    or (segid "    " and resid   36 and name  HB1) (segid "    " and resid   36 and name  HD1)
assign (segid "    " and resid   76 and name   HB) (segid "    " and resid   76 and name HG22) 2.005 0.502 0.502 weight 1.000 ! spec=cnoesy, no=537, id=1174, vol=6.086742e+06
    or (segid "    " and resid   76 and name   HB) (segid "    " and resid   76 and name HG21)
    or (segid "    " and resid   76 and name   HB) (segid "    " and resid   76 and name HG23)
    or (segid "    " and resid   76 and name   HB) (segid "    " and resid   76 and name HG12)
    or (segid "    " and resid   76 and name   HB) (segid "    " and resid   76 and name HG11)
    or (segid "    " and resid   76 and name   HB) (segid "    " and resid   76 and name HG13)
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HB2) 2.380 0.708 0.708 weight 1.000 ! spec=cnoesy, no=585, id=1222, vol=2.176613e+06
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   59 and name  HB1)
assign (segid "    " and resid   59 and name  HB2) (segid "    " and resid   59 and name   HA) 2.576 0.829 0.829 weight 1.000 ! spec=cnoesy, no=586, id=1223, vol=1.354095e+06
    or (segid "    " and resid   59 and name  HB1) (segid "    " and resid   59 and name   HA)
assign (segid "    " and resid   77 and name  HB2) (segid "    " and resid   59 and name  HB2) 2.256 0.636 0.636 weight 1.000 ! spec=cnoesy, no=587, id=1224, vol=3.002332e+06
    or (segid "    " and resid   77 and name  HB2) (segid "    " and resid   59 and name  HB1)
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   78 and name HD12) 2.436 0.742 0.742 weight 1.000 ! spec=cnoesy, no=588, id=1225, vol=1.893183e+06
    or (segid "    " and resid   59 and name  HB1) (segid "    " and resid   78 and name HD11)
    or (segid "    " and resid   59 and name  HB1) (segid "    " and resid   78 and name HD13)
    or (segid "    " and resid   59 and name  HB2) (segid "    " and resid   78 and name HD12)
    or (segid "    " and resid   59 and name  HB2) (segid "    " and resid   78 and name HD11)
    or (segid "    " and resid   59 and name  HB2) (segid "    " and resid   78 and name HD13)
assign (segid "    " and resid   59 and name  HB1) (segid "    " and resid   46 and name HG22) 2.402 0.721 0.721 weight 1.000 ! spec=cnoesy, no=589, id=1226, vol=2.056030e+06
    or (segid "    " and resid   59 and name  HB1) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   59 and name  HB1) (segid "    " and resid   46 and name HG23)
    or (segid "    " and resid   59 and name  HB2) (segid "    " and resid   46 and name HG22)
    or (segid "    " and resid   59 and name  HB2) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   59 and name  HB2) (segid "    " and resid   46 and name HG23)
assign (segid "    " and resid   40 and name  HD2) (segid "    " and resid   40 and name  HG1) 2.073 0.537 0.537 weight 1.000 ! spec=cnoesy, no=615, id=1252, vol=4.978522e+06
    or (segid "    " and resid   40 and name  HD1) (segid "    " and resid   40 and name  HG1)
assign (segid "    " and resid   65 and name  HB2) (segid "    " and resid   65 and name  HG1) 2.090 0.546 0.546 weight 1.000 ! spec=cnoesy, no=617, id=1254, vol=4.743964e+06
    or (segid "    " and resid   65 and name  HB2) (segid "    " and resid   65 and name  HG2)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name   HA) 2.580 0.832 0.832 weight 1.000 ! spec=cnoesy, no=618, id=1255, vol=1.341988e+06
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name   HA)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HD2) 3.711 1.721 1.721 weight 1.000 ! spec=cnoesy, no=619, id=1256, vol=1.514000e+05
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HD2)
assign (segid "    " and resid   24 and name  HG2) (segid "    " and resid   24 and name  HB2) 2.094 0.548 0.548 weight 1.000 ! spec=cnoesy, no=620, id=1257, vol=4.689477e+06
    or (segid "    " and resid   24 and name  HG1) (segid "    " and resid   24 and name  HB2)
assign (segid "    " and resid   24 and name  HG1) (segid "    " and resid   25 and name   HN) 2.915 1.062 1.062 weight 1.000 ! spec=cnoesy, no=621, id=1258, vol=6.443751e+05
    or (segid "    " and resid   24 and name  HG2) (segid "    " and resid   25 and name   HN)
assign (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name  HG2) 3.042 1.156 1.156 weight 1.000 ! spec=cnoesy, no=622, id=1259, vol=4.993252e+05
    or (segid "    " and resid   23 and name   HA) (segid "    " and resid   24 and name  HG1)
assign (segid "    " and resid   65 and name  HG2) (segid "    " and resid   65 and name  HD1) 4.598 2.642 2.642 weight 1.000 ! spec=cnoesy, no=635, id=1272, vol=4.185000e+04
    or (segid "    " and resid   65 and name  HG1) (segid "    " and resid   65 and name  HD1)
assign (segid "    " and resid   65 and name  HG1) (segid "    " and resid   65 and name  HB1) 3.505 1.536 1.536 weight 1.000 ! spec=cnoesy, no=636, id=1273, vol=2.131000e+05
    or (segid "    " and resid   65 and name  HG2) (segid "    " and resid   65 and name  HB1)
assign (segid "    " and resid   36 and name  HG1) (segid "    " and resid   36 and name   HA) 2.631 0.865 0.865 weight 1.000 ! spec=cnoesy, no=637, id=1274, vol=1.192359e+06
    or (segid "    " and resid   36 and name  HG2) (segid "    " and resid   36 and name   HA)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name   HN) 5.137 3.299 3.299 weight 1.000 ! spec=cnoesy, no=638, id=1275, vol=2.151000e+04
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name   HN)
assign (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HD2) 2.248 0.631 0.631 weight 1.000 ! spec=cnoesy, no=640, id=1277, vol=3.066631e+06
    or (segid "    " and resid   20 and name  HG1) (segid "    " and resid   20 and name  HD1)
    or (segid "    " and resid   20 and name  HG2) (segid "    " and resid   20 and name  HD1)
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   78 and name HD22) 3.124 1.220 1.220 weight 1.000 ! spec=cnoesy, no=645, id=1282, vol=4.254615e+05
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   78 and name HD23)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   78 and name HD12)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   78 and name HD11)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   78 and name HD13)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name HD22)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name HD23)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name HD12)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name HD11)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name HD13)
assign (segid "    " and resid   36 and name  HD2) (segid "    " and resid   36 and name  HG2) 2.151 0.578 0.578 weight 1.000 ! spec=cnoesy, no=653, id=1290, vol=3.989635e+06
    or (segid "    " and resid   36 and name  HD1) (segid "    " and resid   36 and name  HG2)
    or (segid "    " and resid   36 and name  HD2) (segid "    " and resid   36 and name  HG1)
    or (segid "    " and resid   36 and name  HD1) (segid "    " and resid   36 and name  HG1)
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HG1) 2.658 0.883 0.883 weight 1.000 ! spec=cnoesy, no=655, id=1292, vol=1.121816e+06
    or (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HG2)
assign (segid "    " and resid   69 and name  HG1) (segid "    " and resid   69 and name   HA) 2.456 0.754 0.754 weight 1.000 ! spec=cnoesy, no=656, id=1293, vol=1.802742e+06
    or (segid "    " and resid   69 and name  HG2) (segid "    " and resid   69 and name   HA)
assign (segid "    " and resid   53 and name  HG2) (segid "    " and resid   53 and name  HD1) 2.343 0.686 0.686 weight 1.000 ! spec=cnoesy, no=658, id=1295, vol=2.389046e+06
    or (segid "    " and resid   53 and name  HG2) (segid "    " and resid   53 and name  HD2)
assign (segid "    " and resid   53 and name  HG1) (segid "    " and resid   53 and name  HD1) 2.510 0.787 0.787 weight 1.000 ! spec=cnoesy, no=660, id=1297, vol=1.582472e+06
    or (segid "    " and resid   53 and name  HG1) (segid "    " and resid   53 and name  HD2)
assign (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name HD12) 2.902 1.052 1.052 weight 1.000 ! spec=cnoesy, no=662, id=1299, vol=6.625832e+05
    or (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   82 and name   HN) (segid "    " and resid   82 and name HD13)
    or (segid "    " and resid   82 and name HD22) (segid "    " and resid   82 and name   HN)
    or (segid "    " and resid   82 and name HD21) (segid "    " and resid   82 and name   HN)
    or (segid "    " and resid   82 and name HD23) (segid "    " and resid   82 and name   HN)
assign (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HD2) 2.731 0.932 0.932 weight 1.000 ! spec=cnoesy, no=677, id=1314, vol=9.531351e+05
    or (segid "    " and resid   47 and name  HG2) (segid "    " and resid   47 and name  HD1)
assign (segid "    " and resid   47 and name  HG1) (segid "    " and resid   47 and name  HD1) 2.631 0.865 0.865 weight 1.000 ! spec=cnoesy, no=678, id=1315, vol=1.192307e+06
    or (segid "    " and resid   47 and name  HG1) (segid "    " and resid   47 and name  HD2)
assign (segid "    " and resid   81 and name HD22) (segid "    " and resid   81 and name  HB1) 3.689 1.701 1.701 weight 1.000 ! spec=cnoesy, no=681, id=1318, vol=1.568000e+05
    or (segid "    " and resid   81 and name HD21) (segid "    " and resid   81 and name  HB1)
    or (segid "    " and resid   81 and name HD23) (segid "    " and resid   81 and name  HB1)
    or (segid "    " and resid   81 and name HD12) (segid "    " and resid   81 and name  HB1)
    or (segid "    " and resid   81 and name HD11) (segid "    " and resid   81 and name  HB1)
    or (segid "    " and resid   81 and name HD13) (segid "    " and resid   81 and name  HB1)
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HD12) 2.972 1.104 1.104 weight 1.000 ! spec=cnoesy, no=682, id=1319, vol=5.738877e+05
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HD11)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HD13)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HD22)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HD21)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HD23)
assign (segid "    " and resid   79 and name HD12) (segid "    " and resid   79 and name  HB1) 2.421 0.733 0.733 weight 1.000 ! spec=cnoesy, no=685, id=1322, vol=1.964342e+06
    or (segid "    " and resid   79 and name HD11) (segid "    " and resid   79 and name  HB1)
    or (segid "    " and resid   79 and name HD13) (segid "    " and resid   79 and name  HB1)
    or (segid "    " and resid   79 and name HD22) (segid "    " and resid   79 and name  HB1)
    or (segid "    " and resid   79 and name HD21) (segid "    " and resid   79 and name  HB1)
    or (segid "    " and resid   79 and name HD23) (segid "    " and resid   79 and name  HB1)
assign (segid "    " and resid   48 and name HG12) (segid "    " and resid   48 and name   HA) 2.514 0.790 0.790 weight 1.000 ! spec=cnoesy, no=710, id=1343, vol=1.567521e+06
    or (segid "    " and resid   48 and name HG11) (segid "    " and resid   48 and name   HA)
    or (segid "    " and resid   48 and name HG13) (segid "    " and resid   48 and name   HA)
    or (segid "    " and resid   48 and name HG22) (segid "    " and resid   48 and name   HA)
    or (segid "    " and resid   48 and name HG21) (segid "    " and resid   48 and name   HA)
    or (segid "    " and resid   48 and name HG23) (segid "    " and resid   48 and name   HA)
assign (segid "    " and resid   26 and name   HA) (segid "    " and resid   48 and name HG12) 2.376 0.705 0.705 weight 1.000 ! spec=cnoesy, no=711, id=1344, vol=2.199894e+06
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   48 and name HG11)
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   48 and name HG13)
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   48 and name HG22)
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   48 and name HG21)
    or (segid "    " and resid   26 and name   HA) (segid "    " and resid   48 and name HG23)
assign (segid "    " and resid   48 and name   HB) (segid "    " and resid   48 and name HG12) 2.036 0.518 0.518 weight 1.000 ! spec=cnoesy, no=712, id=1345, vol=5.557430e+06
    or (segid "    " and resid   48 and name   HB) (segid "    " and resid   48 and name HG11)
    or (segid "    " and resid   48 and name   HB) (segid "    " and resid   48 and name HG13)
    or (segid "    " and resid   48 and name HG22) (segid "    " and resid   48 and name   HB)
    or (segid "    " and resid   48 and name HG21) (segid "    " and resid   48 and name   HB)
    or (segid "    " and resid   48 and name HG23) (segid "    " and resid   48 and name   HB)
assign (segid "    " and resid   48 and name HG12) (segid "    " and resid   56 and name HG21) 2.511 0.788 0.788 weight 1.000 ! spec=cnoesy, no=713, id=1346, vol=1.577192e+06
    or (segid "    " and resid   48 and name HG12) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   48 and name HG12) (segid "    " and resid   56 and name HG23)
    or (segid "    " and resid   48 and name HG11) (segid "    " and resid   56 and name HG21)
    or (segid "    " and resid   48 and name HG11) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   48 and name HG11) (segid "    " and resid   56 and name HG23)
    or (segid "    " and resid   48 and name HG13) (segid "    " and resid   56 and name HG21)
    or (segid "    " and resid   48 and name HG13) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   48 and name HG13) (segid "    " and resid   56 and name HG23)
    or (segid "    " and resid   48 and name HG22) (segid "    " and resid   56 and name HG21)
    or (segid "    " and resid   48 and name HG22) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   48 and name HG22) (segid "    " and resid   56 and name HG23)
    or (segid "    " and resid   48 and name HG21) (segid "    " and resid   56 and name HG21)
    or (segid "    " and resid   48 and name HG21) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   48 and name HG21) (segid "    " and resid   56 and name HG23)
    or (segid "    " and resid   48 and name HG23) (segid "    " and resid   56 and name HG21)
    or (segid "    " and resid   48 and name HG23) (segid "    " and resid   56 and name HG22)
    or (segid "    " and resid   48 and name HG23) (segid "    " and resid   56 and name HG23)
assign (segid "    " and resid   56 and name HG21) (segid "    " and resid   81 and name HD12) 1.917 0.459 0.459 weight 1.000 ! spec=cnoesy, no=748, id=1380, vol=7.976501e+06
    or (segid "    " and resid   56 and name HG21) (segid "    " and resid   81 and name HD11)
    or (segid "    " and resid   56 and name HG21) (segid "    " and resid   81 and name HD13)
    or (segid "    " and resid   56 and name HG22) (segid "    " and resid   81 and name HD12)
    or (segid "    " and resid   56 and name HG22) (segid "    " and resid   81 and name HD11)
    or (segid "    " and resid   56 and name HG22) (segid "    " and resid   81 and name HD13)
    or (segid "    " and resid   56 and name HG23) (segid "    " and resid   81 and name HD12)
    or (segid "    " and resid   56 and name HG23) (segid "    " and resid   81 and name HD11)
    or (segid "    " and resid   56 and name HG23) (segid "    " and resid   81 and name HD13)
    or (segid "    " and resid   56 and name HG21) (segid "    " and resid   82 and name HD12)
    or (segid "    " and resid   56 and name HG21) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   56 and name HG21) (segid "    " and resid   82 and name HD13)
    or (segid "    " and resid   56 and name HG22) (segid "    " and resid   82 and name HD12)
    or (segid "    " and resid   56 and name HG22) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   56 and name HG22) (segid "    " and resid   82 and name HD13)
    or (segid "    " and resid   56 and name HG23) (segid "    " and resid   82 and name HD12)
    or (segid "    " and resid   56 and name HG23) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   56 and name HG23) (segid "    " and resid   82 and name HD13)
assign (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name HG12) 2.406 0.724 0.724 weight 1.000 ! spec=cnoesy, no=771, id=1400, vol=2.038406e+06
    or (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name HG11)
    or (segid "    " and resid   31 and name   HA) (segid "    " and resid   31 and name HG13)
    or (segid "    " and resid   31 and name HG22) (segid "    " and resid   31 and name   HA)
    or (segid "    " and resid   31 and name HG21) (segid "    " and resid   31 and name   HA)
    or (segid "    " and resid   31 and name HG23) (segid "    " and resid   31 and name   HA)
assign (segid "    " and resid   31 and name   HB) (segid "    " and resid   31 and name HG12) 1.982 0.491 0.491 weight 1.000 ! spec=cnoesy, no=772, id=1401, vol=6.513215e+06
    or (segid "    " and resid   31 and name   HB) (segid "    " and resid   31 and name HG11)
    or (segid "    " and resid   31 and name   HB) (segid "    " and resid   31 and name HG13)
    or (segid "    " and resid   31 and name HG22) (segid "    " and resid   31 and name   HB)
    or (segid "    " and resid   31 and name HG21) (segid "    " and resid   31 and name   HB)
    or (segid "    " and resid   31 and name HG23) (segid "    " and resid   31 and name   HB)
assign (segid "    " and resid   67 and name   HA) (segid "    " and resid   67 and name HG12) 2.438 0.743 0.743 weight 1.000 ! spec=cnoesy, no=782, id=1408, vol=1.884706e+06
    or (segid "    " and resid   67 and name   HA) (segid "    " and resid   67 and name HG11)
    or (segid "    " and resid   67 and name   HA) (segid "    " and resid   67 and name HG13)
    or (segid "    " and resid   67 and name HG22) (segid "    " and resid   67 and name   HA)
    or (segid "    " and resid   67 and name HG21) (segid "    " and resid   67 and name   HA)
    or (segid "    " and resid   67 and name HG23) (segid "    " and resid   67 and name   HA)
assign (segid "    " and resid   67 and name HG12) (segid "    " and resid   67 and name   HB) 2.147 0.576 0.576 weight 1.000 ! spec=cnoesy, no=783, id=1409, vol=4.036744e+06
    or (segid "    " and resid   67 and name HG11) (segid "    " and resid   67 and name   HB)
    or (segid "    " and resid   67 and name HG13) (segid "    " and resid   67 and name   HB)
    or (segid "    " and resid   67 and name HG22) (segid "    " and resid   67 and name   HB)
    or (segid "    " and resid   67 and name HG21) (segid "    " and resid   67 and name   HB)
    or (segid "    " and resid   67 and name HG23) (segid "    " and resid   67 and name   HB)
assign (segid "    " and resid   64 and name  HE2) (segid "    " and resid   69 and name  HB1) 2.265 0.641 0.641 weight 1.000 ! spec=cnoesy, no=789, id=1415, vol=2.928318e+06
    or (segid "    " and resid   64 and name  HE1) (segid "    " and resid   69 and name  HB1)
    or (segid "    " and resid   64 and name  HE3) (segid "    " and resid   69 and name  HB1)
    or (segid "    " and resid   64 and name  HE2) (segid "    " and resid   69 and name  HB2)
    or (segid "    " and resid   64 and name  HE1) (segid "    " and resid   69 and name  HB2)
    or (segid "    " and resid   64 and name  HE3) (segid "    " and resid   69 and name  HB2)
assign (segid "    " and resid   64 and name  HE2) (segid "    " and resid   69 and name  HG2) 2.510 0.787 0.787 weight 1.000 ! spec=cnoesy, no=793, id=1419, vol=1.581730e+06
    or (segid "    " and resid   64 and name  HE1) (segid "    " and resid   69 and name  HG2)
    or (segid "    " and resid   64 and name  HE3) (segid "    " and resid   69 and name  HG2)
    or (segid "    " and resid   64 and name  HE2) (segid "    " and resid   69 and name  HG1)
    or (segid "    " and resid   64 and name  HE1) (segid "    " and resid   69 and name  HG1)
    or (segid "    " and resid   64 and name  HE3) (segid "    " and resid   69 and name  HG1)
assign (segid "    " and resid   75 and name  HB2) (segid "    " and resid   79 and name HD22) 2.634 0.867 0.867 weight 1.000 ! spec=cnoesy, no=804, id=1430, vol=1.184811e+06
    or (segid "    " and resid   75 and name  HB2) (segid "    " and resid   79 and name HD21)
    or (segid "    " and resid   75 and name  HB2) (segid "    " and resid   79 and name HD23)
    or (segid "    " and resid   75 and name  HB1) (segid "    " and resid   79 and name HD22)
    or (segid "    " and resid   75 and name  HB1) (segid "    " and resid   79 and name HD21)
    or (segid "    " and resid   75 and name  HB1) (segid "    " and resid   79 and name HD23)
    or (segid "    " and resid   75 and name  HB3) (segid "    " and resid   79 and name HD22)
    or (segid "    " and resid   75 and name  HB3) (segid "    " and resid   79 and name HD21)
    or (segid "    " and resid   75 and name  HB3) (segid "    " and resid   79 and name HD23)
    or (segid "    " and resid   75 and name  HB2) (segid "    " and resid   79 and name HD12)
    or (segid "    " and resid   75 and name  HB2) (segid "    " and resid   79 and name HD11)
    or (segid "    " and resid   75 and name  HB2) (segid "    " and resid   79 and name HD13)
    or (segid "    " and resid   75 and name  HB1) (segid "    " and resid   79 and name HD12)
    or (segid "    " and resid   75 and name  HB1) (segid "    " and resid   79 and name HD11)
    or (segid "    " and resid   75 and name  HB1) (segid "    " and resid   79 and name HD13)
    or (segid "    " and resid   75 and name  HB3) (segid "    " and resid   79 and name HD12)
    or (segid "    " and resid   75 and name  HB3) (segid "    " and resid   79 and name HD11)
    or (segid "    " and resid   75 and name  HB3) (segid "    " and resid   79 and name HD13)
assign (segid "    " and resid   74 and name  HB2) (segid "    " and resid   44 and name  HB2) 2.815 0.991 0.991 weight 1.000 ! spec=cnoesy, no=815, id=1441, vol=7.937282e+05
    or (segid "    " and resid   74 and name  HB1) (segid "    " and resid   44 and name  HB2)
    or (segid "    " and resid   74 and name  HB3) (segid "    " and resid   44 and name  HB2)
    or (segid "    " and resid   74 and name  HB2) (segid "    " and resid   44 and name  HB1)
    or (segid "    " and resid   74 and name  HB1) (segid "    " and resid   44 and name  HB1)
    or (segid "    " and resid   74 and name  HB3) (segid "    " and resid   44 and name  HB1)
assign (segid "    " and resid   39 and name  HB2) (segid "    " and resid   34 and name  HA1) 3.317 1.375 1.375 weight 1.000 ! spec=cnoesy, no=821, id=1447, vol=2.967651e+05
    or (segid "    " and resid   39 and name  HB1) (segid "    " and resid   34 and name  HA1)
    or (segid "    " and resid   39 and name  HB3) (segid "    " and resid   34 and name  HA1)
    or (segid "    " and resid   60 and name HG22) (segid "    " and resid   43 and name   HB)
    or (segid "    " and resid   60 and name HG21) (segid "    " and resid   43 and name   HB)
    or (segid "    " and resid   60 and name HG23) (segid "    " and resid   43 and name   HB)
assign (segid "    " and resid   59 and name   HN) (segid "    " and resid   46 and name HG22) 2.975 1.107 1.107 weight 1.000 ! spec=nnoesy, no=38, id=36, vol=5.655000e+05
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   46 and name HG21)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   46 and name HG23)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   60 and name HD12)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   60 and name HD11)
    or (segid "    " and resid   59 and name   HN) (segid "    " and resid   60 and name HD13)
assign (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name  HB2) 2.843 1.010 1.010 weight 1.000 ! spec=nnoesy, no=40, id=38, vol=7.428000e+05
    or (segid "    " and resid   60 and name   HN) (segid "    " and resid   59 and name  HB1)
assign (segid "    " and resid   23 and name  HE1) (segid "    " and resid   21 and name  HD1) 3.516 1.545 1.545 weight 1.000 ! spec=nnoesy, no=62, id=60, vol=2.076000e+05
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   21 and name  HG2)
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   48 and name HG12)
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   48 and name HG11)
    or (segid "    " and resid   23 and name  HE1) (segid "    " and resid   48 and name HG13)
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HB2) 2.380 0.708 0.708 weight 1.000 ! spec=nnoesy, no=67, id=65, vol=2.160000e+06
    or (segid "    " and resid   28 and name   HN) (segid "    " and resid   28 and name  HB1)
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   26 and name  HB2) 3.479 1.513 1.513 weight 1.000 ! spec=nnoesy, no=68, id=66, vol=2.211000e+05
    or (segid "    " and resid   28 and name   HN) (segid "    " and resid   29 and name  HB2)
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   69 and name  HG1) 2.855 1.019 1.019 weight 1.000 ! spec=nnoesy, no=80, id=78, vol=7.244000e+05
    or (segid "    " and resid   70 and name   HN) (segid "    " and resid   69 and name  HG2)
assign (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name  HD1) 3.620 1.638 1.638 weight 1.000 ! spec=nnoesy, no=112, id=108, vol=1.742000e+05
    or (segid "    " and resid   47 and name   HN) (segid "    " and resid   47 and name  HD2)
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   59 and name  HB1) 3.155 1.244 1.244 weight 1.000 ! spec=nnoesy, no=116, id=112, vol=3.981000e+05
    or (segid "    " and resid   78 and name   HN) (segid "    " and resid   59 and name  HB2)
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name HD12) 2.804 0.983 0.983 weight 1.000 ! spec=nnoesy, no=120, id=116, vol=8.073000e+05
    or (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name HD11)
    or (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name HD13)
    or (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name HD22)
    or (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   78 and name   HN) (segid "    " and resid   78 and name HD23)
assign (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name HD12) 2.928 1.072 1.072 weight 1.000 ! spec=nnoesy, no=121, id=117, vol=6.226000e+05
    or (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name HD11)
    or (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name HD13)
    or (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name HD22)
    or (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name HD21)
    or (segid "    " and resid   78 and name   HN) (segid "    " and resid   79 and name HD23)
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   59 and name  HB2) 3.136 1.230 1.230 weight 1.000 ! spec=nnoesy, no=143, id=137, vol=4.122000e+05
    or (segid "    " and resid   46 and name   HN) (segid "    " and resid   59 and name  HB1)
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   78 and name   HG) 2.697 0.909 0.909 weight 1.000 ! spec=nnoesy, no=153, id=147, vol=1.019000e+06
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name   HG)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   84 and name  HD2)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   84 and name  HD1)
assign (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HD22) 2.861 1.023 1.023 weight 1.000 ! spec=nnoesy, no=154, id=148, vol=7.149000e+05
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HD21)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HD23)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HD12)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HD11)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   81 and name HD13)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name HD22)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name HD21)
    or (segid "    " and resid   81 and name   HN) (segid "    " and resid   82 and name HD23)
assign (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name  HB2) 2.717 0.923 0.923 weight 1.000 ! spec=nnoesy, no=159, id=152, vol=9.745000e+05
    or (segid "    " and resid   29 and name   HN) (segid "    " and resid   28 and name  HB1)
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name HD22) 2.803 0.982 0.982 weight 1.000 ! spec=nnoesy, no=174, id=167, vol=8.093000e+05
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name HD23)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name HD12)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name HD11)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   78 and name HD13)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   82 and name HD22)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   82 and name HD21)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   82 and name HD23)
assign (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name HD12) 2.700 0.911 0.911 weight 1.000 ! spec=nnoesy, no=175, id=168, vol=1.012000e+06
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name HD11)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name HD13)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name HD22)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name HD21)
    or (segid "    " and resid   79 and name   HN) (segid "    " and resid   79 and name HD23)
assign (segid "    " and resid   74 and name   HN) (segid "    " and resid   44 and name  HB2) 3.551 1.576 1.576 weight 1.000 ! spec=nnoesy, no=209, id=200, vol=1.958000e+05
    or (segid "    " and resid   74 and name   HN) (segid "    " and resid   44 and name  HB1)
assign (segid "    " and resid   77 and name   HN) (segid "    " and resid   59 and name  HB1) 3.679 1.692 1.692 weight 1.000 ! spec=nnoesy, no=220, id=211, vol=1.582000e+05
    or (segid "    " and resid   77 and name   HN) (segid "    " and resid   59 and name  HB2)
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HD2) 3.335 1.390 1.390 weight 1.000 ! spec=nnoesy, no=244, id=235, vol=2.852000e+05
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   20 and name  HD1)
assign (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name HD12) 3.063 1.173 1.173 weight 1.000 ! spec=nnoesy, no=247, id=238, vol=4.749000e+05
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name HD13)
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name HD22)
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   20 and name   HN) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD12) 2.937 1.078 1.078 weight 1.000 ! spec=nnoesy, no=264, id=255, vol=6.114000e+05
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD13)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD22)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   19 and name HD23)
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   78 and name HD22) 3.231 1.305 1.305 weight 1.000 ! spec=nnoesy, no=287, id=277, vol=3.451000e+05
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   78 and name HD21)
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   78 and name HD23)
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   78 and name HD12)
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   78 and name HD11)
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   78 and name HD13)
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   50 and name   HN) 3.335 1.390 1.390 weight 1.000 ! spec=nnoesy, no=289, id=279, vol=2.852000e+05
    or (segid "    " and resid   53 and name   HN) (segid "    " and resid   51 and name   HN)
assign (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HB1) 3.006 1.130 1.130 weight 1.000 ! spec=nnoesy, no=317, id=307, vol=5.313000e+05
    or (segid "    " and resid   52 and name   HN) (segid "    " and resid   51 and name  HB2)
assign (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name  HD1) 3.891 1.893 1.893 weight 1.000 ! spec=nnoesy, no=324, id=313, vol=1.130000e+05
    or (segid "    " and resid   48 and name   HN) (segid "    " and resid   47 and name  HD2)
assign (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HD12) 3.253 1.323 1.323 weight 1.000 ! spec=nnoesy, no=339, id=328, vol=3.311000e+05
    or (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HD11)
    or (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HD13)
    or (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HD22)
    or (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HD21)
    or (segid "    " and resid   80 and name   HN) (segid "    " and resid   79 and name HD23)
assign (segid "    " and resid   25 and name   HN) (segid "    " and resid   24 and name  HD2) 3.401 1.446 1.446 weight 1.000 ! spec=nnoesy, no=351, id=340, vol=2.534000e+05
    or (segid "    " and resid   25 and name   HN) (segid "    " and resid   26 and name  HD1)
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HG2) 2.974 1.106 1.106 weight 1.000 ! spec=nnoesy, no=371, id=360, vol=5.671000e+05
    or (segid "    " and resid   21 and name   HN) (segid "    " and resid   20 and name  HG1)
assign (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HD1) 2.641 0.872 0.872 weight 1.000 ! spec=nnoesy, no=373, id=362, vol=1.155000e+06
    or (segid "    " and resid   21 and name   HN) (segid "    " and resid   21 and name  HG2)
assign (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HB1) 2.893 1.046 1.046 weight 1.000 ! spec=nnoesy, no=386, id=375, vol=6.686000e+05
    or (segid "    " and resid   69 and name   HN) (segid "    " and resid   69 and name  HB2)
assign (segid "    " and resid   22 and name   HN) (segid "    " and resid   19 and name HD22) 3.652 1.667 1.667 weight 1.000 ! spec=nnoesy, no=404, id=393, vol=1.653000e+05
    or (segid "    " and resid   22 and name   HN) (segid "    " and resid   19 and name HD21)
    or (segid "    " and resid   22 and name   HN) (segid "    " and resid   19 and name HD23)
    or (segid "    " and resid   22 and name   HN) (segid "    " and resid   19 and name HD12)
    or (segid "    " and resid   22 and name   HN) (segid "    " and resid   19 and name HD11)
    or (segid "    " and resid   22 and name   HN) (segid "    " and resid   19 and name HD13)
    or (segid "    " and resid   23 and name  HZ2) (segid "    " and resid   82 and name HD12)
    or (segid "    " and resid   23 and name  HZ2) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   23 and name  HZ2) (segid "    " and resid   82 and name HD13)
assign (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name  HB1) 2.354 0.693 0.693 weight 1.000 ! spec=nnoesy, no=420, id=409, vol=2.304000e+06
    or (segid "    " and resid   51 and name   HN) (segid "    " and resid   51 and name  HB2)
assign (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name  HB1) 2.691 0.905 0.905 weight 1.000 ! spec=nnoesy, no=466, id=454, vol=1.033000e+06
    or (segid "    " and resid   45 and name   HN) (segid "    " and resid   44 and name  HB2)
assign (segid "    " and resid   70 and name   HN) (segid "    " and resid   65 and name  HD1) 3.697 1.708 1.708 weight 1.000 ! spec=nnoesy, no=509, id=492, vol=1.537000e+05
    or (segid "    " and resid   70 and name   HN) (segid "    " and resid   71 and name   HA)
assign (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name  HB2) 2.485 0.772 0.772 weight 1.000 ! spec=nnoesy, no=515, id=498, vol=1.665000e+06
    or (segid "    " and resid   64 and name   HN) (segid "    " and resid   64 and name  HB1)
assign (segid "    " and resid   28 and name   HN) (segid "    " and resid   47 and name   HN) 3.622 1.640 1.640 weight 1.000 ! spec=nnoesy, no=521, id=504, vol=1.737000e+05
    or (segid "    " and resid   47 and name   HN) (segid "    " and resid   46 and name   HN)
assign (segid "    " and resid   46 and name   HN) (segid "    " and resid   74 and name   HA) 3.753 1.760 1.760 weight 1.000 ! spec=nnoesy, no=534, id=516, vol=1.405000e+05
    or (segid "    " and resid   46 and name   HN) (segid "    " and resid   75 and name   HA)
assign (segid "    " and resid   23 and name   HN) (segid "    " and resid   18 and name   HA) 3.313 1.372 1.372 weight 1.000 ! spec=nnoesy, no=551, id=533, vol=2.967000e+05
    or (segid "    " and resid   23 and name   HN) (segid "    " and resid   20 and name   HA)
assign (segid "    " and resid   55 and name  HE3) (segid "    " and resid   48 and name HG22) 3.401 1.446 1.446 weight 1.000 ! spec=nnoesy, no=564, id=545, vol=2.533000e+05
    or (segid "    " and resid   55 and name  HE3) (segid "    " and resid   48 and name HG21)
    or (segid "    " and resid   55 and name  HE3) (segid "    " and resid   48 and name HG23)
    or (segid "    " and resid   77 and name   HN) (segid "    " and resid   79 and name HD22)
    or (segid "    " and resid   77 and name   HN) (segid "    " and resid   79 and name HD21)
    or (segid "    " and resid   77 and name   HN) (segid "    " and resid   79 and name HD23)
    or (segid "    " and resid   77 and name   HN) (segid "    " and resid   79 and name HD12)
    or (segid "    " and resid   77 and name   HN) (segid "    " and resid   79 and name HD11)
    or (segid "    " and resid   77 and name   HN) (segid "    " and resid   79 and name HD13)
assign (segid "    " and resid   19 and name   HN) (segid "    " and resid   48 and name HG12) 3.396 1.442 1.442 weight 1.000 ! spec=nnoesy, no=575, id=555, vol=2.557000e+05
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   48 and name HG11)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   48 and name HG13)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   17 and name HD12)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   17 and name HD11)
    or (segid "    " and resid   19 and name   HN) (segid "    " and resid   17 and name HD13)
assign (segid "    " and resid   53 and name   HN) (segid "    " and resid   51 and name  HB2) 3.344 1.398 1.398 weight 1.000 ! spec=nnoesy, no=580, id=560, vol=2.805000e+05
    or (segid "    " and resid   53 and name   HN) (segid "    " and resid   51 and name  HB1)
    or (segid "    " and resid   53 and name   HN) (segid "    " and resid   54 and name  HA2)
assign (segid "    " and resid   32 and name   HN) (segid "    " and resid   44 and name   HN) 4.057 2.057 2.057 weight 1.000 ! spec=nnoesy, no=587, id=567, vol=8.803000e+04
    or (segid "    " and resid   53 and name   HN) (segid "    " and resid   23 and name  HE1)
assign (segid "    " and resid   75 and name   HN) (segid "    " and resid   71 and name  HB1) 3.376 1.425 1.425 weight 1.000 ! spec=nnoesy, no=588, id=568, vol=2.649000e+05
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   76 and name HG22)
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   76 and name HG21)
    or (segid "    " and resid   75 and name   HN) (segid "    " and resid   76 and name HG23)
assign (segid "    " and resid   43 and name   HN) (segid "    " and resid   33 and name   HA) 3.195 1.276 1.276 weight 1.000 ! spec=nnoesy, no=595, id=575, vol=3.686000e+05
    or (segid "    " and resid   43 and name   HN) (segid "    " and resid   63 and name   HA)
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   21 and name  HB1) 3.914 1.915 1.915 weight 1.000 ! spec=nnoesy, no=600, id=580, vol=1.091000e+05
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   21 and name  HG1)
assign (segid "    " and resid   18 and name   HN) (segid "    " and resid   17 and name HG12) 3.090 1.193 1.193 weight 1.000 ! spec=nnoesy, no=601, id=581, vol=4.510000e+05
    or (segid "    " and resid   18 and name   HN) (segid "    " and resid   19 and name  HB1)
assign (segid "    " and resid   50 and name   HN) (segid "    " and resid   56 and name   HB) 3.515 1.544 1.544 weight 1.000 ! spec=nnoesy, no=632, id=611, vol=2.080000e+05
    or (segid "    " and resid   51 and name   HN) (segid "    " and resid   52 and name   HA)
assign (segid "    " and resid   56 and name   HN) (segid "    " and resid   81 and name HD22) 3.288 1.352 1.352 weight 1.000 ! spec=nnoesy, no=641, id=620, vol=3.103000e+05
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   81 and name HD21)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   81 and name HD23)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   81 and name HD12)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   81 and name HD11)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   81 and name HD13)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   82 and name HD12)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   56 and name   HN) (segid "    " and resid   82 and name HD13)
assign (segid "    " and resid   73 and name   HN) (segid "    " and resid   73 and name  HB2) 2.250 0.633 0.633 weight 1.000 ! spec=nnoesy, no=651, id=630, vol=3.020000e+06
    or (segid "    " and resid   73 and name   HN) (segid "    " and resid   73 and name  HB1)
    or (segid "    " and resid   73 and name   HN) (segid "    " and resid   73 and name   HA)
assign (segid "    " and resid   34 and name   HN) (segid "    " and resid   40 and name  HB1) 3.550 1.576 1.576 weight 1.000 ! spec=nnoesy, no=652, id=631, vol=1.959000e+05
    or (segid "    " and resid   34 and name   HN) (segid "    " and resid   40 and name  HG1)
assign (segid "    " and resid   54 and name   HN) (segid "    " and resid   82 and name HD12) 4.103 2.104 2.104 weight 1.000 ! spec=nnoesy, no=659, id=638, vol=8.226000e+04
    or (segid "    " and resid   54 and name   HN) (segid "    " and resid   82 and name HD11)
    or (segid "    " and resid   54 and name   HN) (segid "    " and resid   82 and name HD13)
    or (segid "    " and resid   54 and name   HN) (segid "    " and resid   81 and name HD22)
    or (segid "    " and resid   54 and name   HN) (segid "    " and resid   81 and name HD21)
    or (segid "    " and resid   54 and name   HN) (segid "    " and resid   81 and name HD23)
    or (segid "    " and resid   54 and name   HN) (segid "    " and resid   81 and name HD12)
    or (segid "    " and resid   54 and name   HN) (segid "    " and resid   81 and name HD11)
    or (segid "    " and resid   54 and name   HN) (segid "    " and resid   81 and name HD13)

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ASN  15           HT1      ASN  15  -5.510   6.982   5.577
    2    H2   ASN  15           HT2      ASN  15  -5.909   6.139   4.167
    3    H3   ASN  15           HT3      ASN  15  -4.573   5.664   5.089
    4    HA   ASN  15           HA       ASN  15  -6.385   4.159   5.456
    5    HB2  ASN  15           HB2      ASN  15  -4.826   4.792   7.331
    6    HB3  ASN  15           HB1      ASN  15  -6.034   5.954   7.864
    7   HD21  ASN  15          HD21      ASN  15  -6.361   4.970   9.821
    8   HD22  ASN  15          HD22      ASN  15  -7.175   3.454   9.981
    9    H    ASP  16           HN       ASP  16  -7.288   7.471   5.345
   10    HA   ASP  16           HA       ASP  16  -9.741   7.407   6.726
   11    HB2  ASP  16           HB2      ASP  16  -8.729   9.170   4.503
   12    HB3  ASP  16           HB1      ASP  16 -10.323   9.383   5.213
   13    H    ILE  17           HN       ILE  17  -8.966   6.857   3.318
   14    HA   ILE  17           HA       ILE  17 -11.612   6.700   2.425
   15    HB   ILE  17           HB       ILE  17  -9.103   5.544   1.216
   16   HG12  ILE  17          HG12      ILE  17  -9.522   7.420  -0.434
   17   HG13  ILE  17          HG11      ILE  17 -10.747   8.013   0.672
   18   HG21  ILE  17          HG21      ILE  17 -10.430   5.321  -0.863
   19   HG22  ILE  17          HG22      ILE  17 -11.883   5.688   0.064
   20   HG23  ILE  17          HG23      ILE  17 -10.957   4.231   0.419
   21   HD11  ILE  17          HD11      ILE  17  -7.838   7.693   1.341
   22   HD12  ILE  17          HD12      ILE  17  -9.095   8.380   2.372
   23   HD13  ILE  17          HD13      ILE  17  -8.627   9.205   0.885
   24    H    CYS  18           HN       CYS  18  -9.380   4.218   3.583
   25    HA   CYS  18           HA       CYS  18 -11.056   2.005   2.979
   26    HB2  CYS  18           HB2      CYS  18  -8.580   1.894   3.390
   27    HB3  CYS  18           HB1      CYS  18  -8.898   2.192   5.095
   28    HG   CYS  18           HG       CYS  18  -9.678  -0.224   5.753
   29    H    LEU  19           HN       LEU  19 -10.531   4.013   5.803
   30    HA   LEU  19           HA       LEU  19 -12.179   2.660   7.635
   31    HB2  LEU  19           HB2      LEU  19 -10.536   4.438   8.157
   32    HB3  LEU  19           HB1      LEU  19 -11.611   5.612   7.445
   33    HG   LEU  19           HG       LEU  19 -13.315   5.023   9.171
   34   HD11  LEU  19          HD11      LEU  19 -12.563   3.816  11.167
   35   HD12  LEU  19          HD12      LEU  19 -11.037   3.450  10.361
   36   HD13  LEU  19          HD13      LEU  19 -12.548   2.793   9.732
   37   HD21  LEU  19          HD21      LEU  19 -10.652   5.984  10.205
   38   HD22  LEU  19          HD22      LEU  19 -12.217   6.250  10.972
   39   HD23  LEU  19          HD23      LEU  19 -11.868   6.975   9.403
   40    H    ARG  20           HN       ARG  20 -12.795   5.442   5.527
   41    HA   ARG  20           HA       ARG  20 -15.471   5.871   6.147
   42    HB2  ARG  20           HB2      ARG  20 -13.947   7.406   4.932
   43    HB3  ARG  20           HB1      ARG  20 -14.021   6.343   3.539
   44    HG2  ARG  20           HG2      ARG  20 -16.397   6.798   3.295
   45    HG3  ARG  20           HG1      ARG  20 -16.352   7.834   4.725
   46    HD2  ARG  20           HD2      ARG  20 -14.728   9.290   3.613
   47    HD3  ARG  20           HD1      ARG  20 -14.787   8.263   2.184
   48    HE   ARG  20           HE       ARG  20 -17.391   9.071   2.705
   49   HH11  ARG  20          HH11      ARG  20 -14.329  10.548   1.878
   50   HH12  ARG  20          HH12      ARG  20 -15.048  11.871   1.019
   51   HH21  ARG  20          HH21      ARG  20 -18.349  10.822   1.563
   52   HH22  ARG  20          HH22      ARG  20 -17.330  12.019   0.830
   53    H    LYS  21           HN       LYS  21 -13.985   3.695   3.801
   54    HA   LYS  21           HA       LYS  21 -16.405   2.939   2.495
   55    HB2  LYS  21           HB2      LYS  21 -13.574   2.030   2.517
   56    HB3  LYS  21           HB1      LYS  21 -14.786   0.925   1.883
   57    HG2  LYS  21           HG2      LYS  21 -14.336   3.736   0.913
   58    HG3  LYS  21           HG1      LYS  21 -13.723   2.272   0.135
   59    HD2  LYS  21           HD2      LYS  21 -16.080   1.470  -0.026
   60    HD3  LYS  21           HD1      LYS  21 -16.589   3.054   0.562
   61    HE2  LYS  21           HE2      LYS  21 -15.524   4.115  -1.355
   62    HE3  LYS  21           HE1      LYS  21 -14.947   2.553  -1.914
   63    HZ1  LYS  21           HZ1      LYS  21 -17.763   3.468  -1.768
   64    HZ2  LYS  21           HZ2      LYS  21 -17.310   1.875  -2.110
   65    HZ3  LYS  21           HZ3      LYS  21 -16.868   3.120  -3.167
   66    H    ASN  22           HN       ASN  22 -15.338   2.384   5.478
   67    HA   ASN  22           HA       ASN  22 -15.907   1.048   7.209
   68    HB2  ASN  22           HB2      ASN  22 -18.210   1.412   6.254
   69    HB3  ASN  22           HB1      ASN  22 -18.030  -0.114   5.400
   70   HD21  ASN  22          HD21      ASN  22 -18.283   1.395   8.538
   71   HD22  ASN  22          HD22      ASN  22 -18.761  -0.026   9.403
   72    H    TRP  23           HN       TRP  23 -13.798   0.257   5.631
   73    HA   TRP  23           HA       TRP  23 -14.006  -2.681   5.675
   74    HB2  TRP  23           HB2      TRP  23 -11.820  -0.918   4.544
   75    HB3  TRP  23           HB1      TRP  23 -11.864  -2.670   4.460
   76    HD1  TRP  23           HD1      TRP  23 -14.955  -2.908   3.473
   77    HE1  TRP  23           HE1      TRP  23 -15.476  -2.267   1.018
   78    HE3  TRP  23           HE3      TRP  23 -10.870  -0.026   2.532
   79    HZ2  TRP  23           HZ2      TRP  23 -14.258  -0.724  -1.048
   80    HZ3  TRP  23           HZ3      TRP  23 -10.611   0.990   0.327
   81    HH2  TRP  23           HH2      TRP  23 -12.266   0.651  -1.434
   82    HA   PRO  24           HA       PRO  24 -11.258  -2.829   9.225
   83    HB2  PRO  24           HB2      PRO  24  -9.641  -4.916   8.554
   84    HB3  PRO  24           HB1      PRO  24 -11.273  -5.114   9.198
   85    HG2  PRO  24           HG2      PRO  24 -10.312  -5.284   6.381
   86    HG3  PRO  24           HG1      PRO  24 -11.534  -6.260   7.211
   87    HD2  PRO  24           HD2      PRO  24 -12.150  -4.245   5.498
   88    HD3  PRO  24           HD1      PRO  24 -13.193  -4.705   6.853
   89    H    MET  25           HN       MET  25  -8.668  -3.086   9.553
   90    HA   MET  25           HA       MET  25  -7.600  -0.901   8.009
   91    HB2  MET  25           HB2      MET  25  -6.266  -2.557  10.149
   92    HB3  MET  25           HB1      MET  25  -5.751  -0.983   9.560
   93    HG2  MET  25           HG2      MET  25  -8.414  -1.408  10.867
   94    HG3  MET  25           HG1      MET  25  -6.961  -1.066  11.788
   95    HE1  MET  25           HE1      MET  25  -9.940   0.328   9.916
   96    HE2  MET  25           HE2      MET  25  -8.860   0.396   8.525
   97    HE3  MET  25           HE3      MET  25  -9.421   1.888   9.276
   98    HA   PRO  26           HA       PRO  26  -5.938  -3.496   4.864
   99    HB2  PRO  26           HB2      PRO  26  -4.036  -1.333   4.331
  100    HB3  PRO  26           HB1      PRO  26  -5.280  -2.015   3.290
  101    HG2  PRO  26           HG2      PRO  26  -5.515   0.437   4.377
  102    HG3  PRO  26           HG1      PRO  26  -6.916  -0.611   4.090
  103    HD2  PRO  26           HD2      PRO  26  -5.486  -0.009   6.638
  104    HD3  PRO  26           HD1      PRO  26  -7.218  -0.260   6.339
  105    H    SER  27           HN       SER  27  -3.909  -4.329   4.058
  106    HA   SER  27           HA       SER  27  -2.078  -4.965   6.220
  107    HB2  SER  27           HB2      SER  27  -3.000  -6.680   4.610
  108    HB3  SER  27           HB1      SER  27  -2.029  -5.927   3.355
  109    HG   SER  27           HG       SER  27  -1.164  -7.274   5.689
  110    H    TYR  28           HN       TYR  28   0.106  -4.454   6.263
  111    HA   TYR  28           HA       TYR  28   1.219  -2.837   4.141
  112    HB2  TYR  28           HB2      TYR  28   0.785  -1.815   6.943
  113    HB3  TYR  28           HB1      TYR  28   2.040  -1.161   5.902
  114    HD1  TYR  28           HD1      TYR  28   1.466   0.202   3.964
  115    HD2  TYR  28           HD2      TYR  28  -1.565  -1.357   6.510
  116    HE1  TYR  28           HE1      TYR  28  -0.145   1.776   2.990
  117    HE2  TYR  28           HE2      TYR  28  -3.191   0.208   5.536
  118    HH   TYR  28           HH       TYR  28  -2.521   2.030   2.711
  119    H    ARG  29           HN       ARG  29   3.091  -3.960   3.755
  120    HA   ARG  29           HA       ARG  29   4.976  -4.319   5.895
  121    HB2  ARG  29           HB2      ARG  29   3.510  -6.318   6.122
  122    HB3  ARG  29           HB1      ARG  29   3.912  -6.766   4.471
  123    HG2  ARG  29           HG2      ARG  29   6.212  -7.096   5.054
  124    HG3  ARG  29           HG1      ARG  29   5.932  -6.474   6.682
  125    HD2  ARG  29           HD2      ARG  29   4.446  -8.345   7.155
  126    HD3  ARG  29           HD1      ARG  29   4.667  -8.950   5.516
  127    HE   ARG  29           HE       ARG  29   7.194  -8.788   6.534
  128   HH11  ARG  29          HH11      ARG  29   4.242 -10.411   7.497
  129   HH12  ARG  29          HH12      ARG  29   5.071 -11.731   8.262
  130   HH21  ARG  29          HH21      ARG  29   8.279 -10.516   7.537
  131   HH22  ARG  29          HH22      ARG  29   7.369 -11.795   8.274
  132    H    CYS  30           HN       CYS  30   6.983  -4.107   5.107
  133    HA   CYS  30           HA       CYS  30   7.410  -3.482   2.395
  134    HB2  CYS  30           HB2      CYS  30   9.437  -4.186   4.527
  135    HB3  CYS  30           HB1      CYS  30   9.795  -3.396   2.995
  136    HG   CYS  30           HG       CYS  30   9.469  -1.874   5.670
  137    H    VAL  31           HN       VAL  31   7.777  -4.731   0.700
  138    HA   VAL  31           HA       VAL  31   7.924  -7.592   1.076
  139    HB   VAL  31           HB       VAL  31   7.805  -7.730  -1.376
  140   HG11  VAL  31          HG11      VAL  31   5.526  -6.841  -1.611
  141   HG12  VAL  31          HG12      VAL  31   5.753  -5.920  -0.124
  142   HG13  VAL  31          HG13      VAL  31   5.755  -7.683  -0.079
  143   HG21  VAL  31          HG21      VAL  31   7.717  -4.725  -1.284
  144   HG22  VAL  31          HG22      VAL  31   7.356  -5.708  -2.702
  145   HG23  VAL  31          HG23      VAL  31   8.979  -5.719  -2.011
  146    H    LYS  32           HN       LYS  32   9.979  -4.968   0.000
  147    HA   LYS  32           HA       LYS  32  12.277  -6.756   0.315
  148    HB2  LYS  32           HB2      LYS  32  11.785  -6.323  -2.123
  149    HB3  LYS  32           HB1      LYS  32  12.040  -4.617  -1.800
  150    HG2  LYS  32           HG2      LYS  32  14.338  -5.096  -1.094
  151    HG3  LYS  32           HG1      LYS  32  14.086  -6.796  -1.493
  152    HD2  LYS  32           HD2      LYS  32  13.681  -6.209  -3.820
  153    HD3  LYS  32           HD1      LYS  32  13.867  -4.497  -3.434
  154    HE2  LYS  32           HE2      LYS  32  15.908  -5.343  -4.417
  155    HE3  LYS  32           HE1      LYS  32  16.184  -4.932  -2.728
  156    HZ1  LYS  32           HZ1      LYS  32  17.207  -7.036  -3.307
  157    HZ2  LYS  32           HZ2      LYS  32  15.713  -7.667  -3.779
  158    HZ3  LYS  32           HZ3      LYS  32  15.987  -7.269  -2.160
  159    H    GLU  33           HN       GLU  33  13.574  -5.963   1.819
  160    HA   GLU  33           HA       GLU  33  14.033  -3.091   2.032
  161    HB2  GLU  33           HB2      GLU  33  12.131  -3.737   3.568
  162    HB3  GLU  33           HB1      GLU  33  13.265  -4.749   4.442
  163    HG2  GLU  33           HG2      GLU  33  13.780  -1.825   4.075
  164    HG3  GLU  33           HG1      GLU  33  12.713  -2.408   5.346
  165    H    GLY  34           HN       GLY  34  16.141  -2.706   2.297
  166    HA2  GLY  34           HA2      GLY  34  18.336  -2.993   2.955
  167    HA3  GLY  34           HA1      GLY  34  17.837  -4.416   3.857
  168    H    GLY  35           HN       GLY  35  20.105  -4.858   2.799
  169    HA2  GLY  35           HA2      GLY  35  19.991  -7.070   1.266
  170    HA3  GLY  35           HA1      GLY  35  19.928  -5.789   0.065
  171    HA   PRO  36           HA       PRO  36  24.408  -6.560   0.687
  172    HB2  PRO  36           HB2      PRO  36  24.603  -5.858  -2.138
  173    HB3  PRO  36           HB1      PRO  36  25.041  -7.364  -1.335
  174    HG2  PRO  36           HG2      PRO  36  22.937  -7.178  -3.023
  175    HG3  PRO  36           HG1      PRO  36  22.965  -8.294  -1.645
  176    HD2  PRO  36           HD2      PRO  36  21.633  -5.622  -1.892
  177    HD3  PRO  36           HD1      PRO  36  21.016  -7.124  -1.167
  178    H    ALA  37           HN       ALA  37  23.456  -4.281   1.687
  179    HA   ALA  37           HA       ALA  37  24.154  -2.220   2.296
  180    HB1  ALA  37           HB1      ALA  37  26.287  -1.347   1.537
  181    HB2  ALA  37           HB2      ALA  37  26.352  -2.568   0.266
  182    HB3  ALA  37           HB3      ALA  37  26.424  -3.054   1.961
  183    H    HIS  38           HN       HIS  38  24.605  -2.412  -1.243
  184    HA   HIS  38           HA       HIS  38  23.663   0.288  -1.592
  185    HB2  HIS  38           HB2      HIS  38  24.001  -0.140  -4.004
  186    HB3  HIS  38           HB1      HIS  38  25.419  -0.550  -3.051
  187    HD1  HIS  38           HD1      HIS  38  26.326  -2.868  -3.318
  188    HD2  HIS  38           HD2      HIS  38  22.501  -2.482  -4.898
  189    HE1  HIS  38           HE1      HIS  38  25.866  -5.033  -4.512
  190    HE2  HIS  38           HE2      HIS  38  23.601  -4.726  -5.570
  191    H    ALA  39           HN       ALA  39  21.849  -1.934  -0.565
  192    HA   ALA  39           HA       ALA  39  19.678  -1.520  -2.505
  193    HB1  ALA  39           HB1      ALA  39  18.862  -3.766  -2.051
  194    HB2  ALA  39           HB2      ALA  39  20.203  -4.042  -0.942
  195    HB3  ALA  39           HB3      ALA  39  20.515  -3.816  -2.662
  196    H    LYS  40           HN       LYS  40  20.188   0.130  -0.292
  197    HA   LYS  40           HA       LYS  40  18.345  -0.707   1.793
  198    HB2  LYS  40           HB2      LYS  40  20.586   0.578   2.144
  199    HB3  LYS  40           HB1      LYS  40  19.636   1.985   1.702
  200    HG2  LYS  40           HG2      LYS  40  19.779   1.730   4.114
  201    HG3  LYS  40           HG1      LYS  40  18.118   1.595   3.539
  202    HD2  LYS  40           HD2      LYS  40  18.269  -0.844   3.678
  203    HD3  LYS  40           HD1      LYS  40  19.935  -0.710   4.243
  204    HE2  LYS  40           HE2      LYS  40  19.238   0.379   6.247
  205    HE3  LYS  40           HE1      LYS  40  17.587   0.534   5.655
  206    HZ1  LYS  40           HZ1      LYS  40  17.337  -1.844   5.747
  207    HZ2  LYS  40           HZ2      LYS  40  17.847  -1.270   7.254
  208    HZ3  LYS  40           HZ3      LYS  40  18.949  -2.036   6.233
  209    H    ARG  41           HN       ARG  41  17.702   0.141  -1.085
  210    HA   ARG  41           HA       ARG  41  15.679   2.162  -0.535
  211    HB2  ARG  41           HB2      ARG  41  15.852   0.463  -3.022
  212    HB3  ARG  41           HB1      ARG  41  15.036   2.001  -2.823
  213    HG2  ARG  41           HG2      ARG  41  17.237   3.082  -2.496
  214    HG3  ARG  41           HG1      ARG  41  18.006   1.535  -2.861
  215    HD2  ARG  41           HD2      ARG  41  16.200   3.118  -4.683
  216    HD3  ARG  41           HD1      ARG  41  17.945   2.938  -4.839
  217    HE   ARG  41           HE       ARG  41  16.893   0.380  -4.853
  218   HH11  ARG  41          HH11      ARG  41  16.663   3.272  -6.810
  219   HH12  ARG  41          HH12      ARG  41  16.331   2.406  -8.276
  220   HH21  ARG  41          HH21      ARG  41  16.457  -0.765  -6.771
  221   HH22  ARG  41          HH22      ARG  41  16.220   0.100  -8.257
  222    H    PHE  42           HN       PHE  42  13.513   1.714  -0.278
  223    HA   PHE  42           HA       PHE  42  13.014  -1.110   0.385
  224    HB2  PHE  42           HB2      PHE  42  11.492   1.219   1.538
  225    HB3  PHE  42           HB1      PHE  42  11.631  -0.419   2.170
  226    HD1  PHE  42           HD1      PHE  42  14.461  -0.949   2.222
  227    HD2  PHE  42           HD2      PHE  42  12.390   2.673   3.054
  228    HE1  PHE  42           HE1      PHE  42  16.334  -0.204   3.638
  229    HE2  PHE  42           HE2      PHE  42  14.249   3.412   4.473
  230    HZ   PHE  42           HZ       PHE  42  16.222   1.975   4.773
  231    H    THR  43           HN       THR  43  11.377  -2.147  -0.494
  232    HA   THR  43           HA       THR  43   9.489  -0.626  -2.169
  233    HB   THR  43           HB       THR  43  10.452  -3.452  -2.712
  234    HG1  THR  43           HG1      THR  43  11.741  -1.124  -3.108
  235   HG21  THR  43          HG21      THR  43   8.277  -2.865  -3.681
  236   HG22  THR  43          HG22      THR  43   9.500  -3.051  -4.938
  237   HG23  THR  43          HG23      THR  43   8.992  -1.439  -4.435
  238    H    PHE  44           HN       PHE  44   7.291  -1.083  -1.700
  239    HA   PHE  44           HA       PHE  44   6.786  -3.339   0.065
  240    HB2  PHE  44           HB2      PHE  44   6.835  -1.835   1.782
  241    HB3  PHE  44           HB1      PHE  44   6.686  -0.456   0.704
  242    HD1  PHE  44           HD2      PHE  44   4.660  -3.240   2.118
  243    HD2  PHE  44           HD1      PHE  44   4.781   0.767   0.725
  244    HE1  PHE  44           HE2      PHE  44   2.312  -2.948   2.769
  245    HE2  PHE  44           HE1      PHE  44   2.442   1.071   1.390
  246    HZ   PHE  44           HZ       PHE  44   1.205  -0.790   2.415
  247    H    GLY  45           HN       GLY  45   4.552  -4.015   0.026
  248    HA2  GLY  45           HA2      GLY  45   2.980  -2.855  -2.190
  249    HA3  GLY  45           HA1      GLY  45   3.114  -4.591  -1.948
  250    H    VAL  46           HN       VAL  46   0.826  -2.513  -1.810
  251    HA   VAL  46           HA       VAL  46  -0.073  -3.009   0.962
  252    HB   VAL  46           HB       VAL  46  -1.592  -1.180  -0.812
  253   HG11  VAL  46          HG11      VAL  46  -2.405  -1.497   1.382
  254   HG12  VAL  46          HG12      VAL  46  -1.708   0.123   1.323
  255   HG13  VAL  46          HG13      VAL  46  -0.819  -1.191   2.086
  256   HG21  VAL  46          HG21      VAL  46  -0.117   0.726  -0.321
  257   HG22  VAL  46          HG22      VAL  46   0.632  -0.472  -1.376
  258   HG23  VAL  46          HG23      VAL  46   1.077  -0.397   0.328
  259    H    ARG  47           HN       ARG  47  -2.272  -3.762   1.280
  260    HA   ARG  47           HA       ARG  47  -3.888  -4.189  -1.061
  261    HB2  ARG  47           HB2      ARG  47  -4.396  -6.553  -0.380
  262    HB3  ARG  47           HB1      ARG  47  -2.777  -6.316  -1.017
  263    HG2  ARG  47           HG2      ARG  47  -2.024  -6.172   1.409
  264    HG3  ARG  47           HG1      ARG  47  -3.624  -6.785   1.819
  265    HD2  ARG  47           HD2      ARG  47  -3.212  -8.729   0.345
  266    HD3  ARG  47           HD1      ARG  47  -1.578  -8.131   0.058
  267    HE   ARG  47           HE       ARG  47  -2.547  -8.874   2.743
  268   HH11  ARG  47          HH11      ARG  47  -0.059  -8.939   0.255
  269   HH12  ARG  47          HH12      ARG  47   1.026  -9.891   1.215
  270   HH21  ARG  47          HH21      ARG  47  -1.099 -10.098   3.987
  271   HH22  ARG  47          HH22      ARG  47   0.439 -10.550   3.327
  272    H    VAL  48           HN       VAL  48  -6.072  -4.206  -0.571
  273    HA   VAL  48           HA       VAL  48  -6.761  -3.670   2.262
  274    HB   VAL  48           HB       VAL  48  -7.923  -2.324  -0.180
  275   HG11  VAL  48          HG11      VAL  48  -9.107  -0.890   1.435
  276   HG12  VAL  48          HG12      VAL  48  -8.500  -1.903   2.746
  277   HG13  VAL  48          HG13      VAL  48  -9.601  -2.580   1.544
  278   HG21  VAL  48          HG21      VAL  48  -5.615  -1.613   0.475
  279   HG22  VAL  48          HG22      VAL  48  -6.295  -1.073   2.010
  280   HG23  VAL  48          HG23      VAL  48  -6.828  -0.333   0.502
  281    H    ASN  49           HN       ASN  49  -8.992  -4.221   2.851
  282    HA   ASN  49           HA       ASN  49  -9.910  -6.536   1.322
  283    HB2  ASN  49           HB2      ASN  49  -9.526  -6.812   3.761
  284    HB3  ASN  49           HB1      ASN  49 -10.791  -5.624   4.066
  285   HD21  ASN  49          HD21      ASN  49 -12.010  -7.152   5.204
  286   HD22  ASN  49          HD22      ASN  49 -12.878  -8.410   4.398
  287    H    THR  50           HN       THR  50 -10.764  -5.379  -0.301
  288    HA   THR  50           HA       THR  50 -12.940  -3.508   0.090
  289    HB   THR  50           HB       THR  50 -13.419  -3.788  -2.364
  290    HG1  THR  50           HG1      THR  50 -11.328  -5.673  -2.083
  291   HG21  THR  50          HG21      THR  50 -11.362  -2.638  -3.094
  292   HG22  THR  50          HG22      THR  50 -10.604  -3.065  -1.559
  293   HG23  THR  50          HG23      THR  50 -12.004  -1.994  -1.584
  294    H    SER  51           HN       SER  51 -14.688  -4.182   1.045
  295    HA   SER  51           HA       SER  51 -15.412  -6.737   1.615
  296    HB2  SER  51           HB2      SER  51 -16.301  -4.629   2.637
  297    HB3  SER  51           HB1      SER  51 -17.381  -4.475   1.253
  298    HG   SER  51           HG       SER  51 -17.307  -6.590   3.148
  299    H    ASP  52           HN       ASP  52 -16.269  -4.965  -1.295
  300    HA   ASP  52           HA       ASP  52 -18.288  -6.762  -2.173
  301    HB2  ASP  52           HB2      ASP  52 -18.213  -5.553  -4.255
  302    HB3  ASP  52           HB1      ASP  52 -18.148  -4.419  -2.914
  303    H    ARG  53           HN       ARG  53 -14.817  -6.912  -2.342
  304    HA   ARG  53           HA       ARG  53 -15.044  -9.195  -4.188
  305    HB2  ARG  53           HB2      ARG  53 -14.305  -7.082  -5.358
  306    HB3  ARG  53           HB1      ARG  53 -12.841  -7.141  -4.380
  307    HG2  ARG  53           HG2      ARG  53 -12.154  -8.175  -6.306
  308    HG3  ARG  53           HG1      ARG  53 -12.680  -9.562  -5.343
  309    HD2  ARG  53           HD2      ARG  53 -13.627  -9.848  -7.497
  310    HD3  ARG  53           HD1      ARG  53 -14.924  -9.322  -6.424
  311    HE   ARG  53           HE       ARG  53 -13.651  -7.163  -7.820
  312   HH11  ARG  53          HH11      ARG  53 -16.126  -9.623  -8.008
  313   HH12  ARG  53          HH12      ARG  53 -17.091  -8.749  -9.155
  314   HH21  ARG  53          HH21      ARG  53 -14.913  -6.004  -9.344
  315   HH22  ARG  53          HH22      ARG  53 -16.398  -6.692  -9.919
  316    H    GLY  54           HN       GLY  54 -13.011  -7.446  -1.893
  317    HA2  GLY  54           HA2      GLY  54 -12.187  -8.848  -0.006
  318    HA3  GLY  54           HA1      GLY  54 -11.645  -9.964  -1.238
  319    H    TRP  55           HN       TRP  55  -9.557  -9.793  -0.318
  320    HA   TRP  55           HA       TRP  55  -7.952  -7.583  -0.137
  321    HB2  TRP  55           HB2      TRP  55  -7.414 -10.420  -0.892
  322    HB3  TRP  55           HB1      TRP  55  -6.123  -9.245  -1.082
  323    HD1  TRP  55           HD1      TRP  55  -6.915 -11.742   1.236
  324    HE1  TRP  55           HE1      TRP  55  -6.191 -11.181   3.637
  325    HE3  TRP  55           HE3      TRP  55  -6.328  -6.701   0.748
  326    HZ2  TRP  55           HZ2      TRP  55  -5.453  -8.888   5.117
  327    HZ3  TRP  55           HZ3      TRP  55  -5.610  -5.400   2.703
  328    HH2  TRP  55           HH2      TRP  55  -5.195  -6.463   4.846
  329    H    THR  56           HN       THR  56  -7.455  -6.032  -1.478
  330    HA   THR  56           HA       THR  56  -8.065  -6.085  -4.248
  331    HB   THR  56           HB       THR  56  -6.865  -3.901  -4.316
  332    HG1  THR  56           HG1      THR  56  -5.348  -3.836  -2.803
  333   HG21  THR  56          HG21      THR  56  -9.235  -3.986  -3.756
  334   HG22  THR  56          HG22      THR  56  -8.423  -2.709  -2.849
  335   HG23  THR  56          HG23      THR  56  -8.834  -4.231  -2.056
  336    H    ASP  57           HN       ASP  57  -6.378  -5.376  -5.898
  337    HA   ASP  57           HA       ASP  57  -4.262  -7.207  -6.109
  338    HB2  ASP  57           HB2      ASP  57  -4.602  -4.503  -7.422
  339    HB3  ASP  57           HB1      ASP  57  -3.402  -5.696  -7.892
  340    H    GLU  58           HN       GLU  58  -2.240  -7.172  -5.349
  341    HA   GLU  58           HA       GLU  58  -1.598  -5.447  -3.233
  342    HB2  GLU  58           HB2      GLU  58  -0.756  -7.812  -3.678
  343    HB3  GLU  58           HB1      GLU  58   0.398  -7.071  -4.768
  344    HG2  GLU  58           HG2      GLU  58   1.430  -5.876  -3.001
  345    HG3  GLU  58           HG1      GLU  58   0.150  -6.325  -1.873
  346    H    CYS  59           HN       CYS  59  -1.005  -3.459  -3.352
  347    HA   CYS  59           HA       CYS  59  -0.080  -2.365  -5.894
  348    HB2  CYS  59           HB2      CYS  59  -0.891  -0.924  -3.360
  349    HB3  CYS  59           HB1      CYS  59  -0.593  -0.183  -4.931
  350    HG   CYS  59           HG       CYS  59  -2.939  -2.592  -4.905
  351    H    ILE  60           HN       ILE  60   2.039  -2.875  -6.030
  352    HA   ILE  60           HA       ILE  60   3.874  -2.401  -3.883
  353    HB   ILE  60           HB       ILE  60   4.129  -3.278  -6.744
  354   HG12  ILE  60          HG12      ILE  60   5.145  -5.248  -5.756
  355   HG13  ILE  60          HG11      ILE  60   5.107  -4.511  -4.161
  356   HG21  ILE  60          HG21      ILE  60   6.550  -3.360  -6.552
  357   HG22  ILE  60          HG22      ILE  60   6.460  -2.582  -4.972
  358   HG23  ILE  60          HG23      ILE  60   5.959  -1.705  -6.417
  359   HD11  ILE  60          HD11      ILE  60   2.646  -4.512  -4.278
  360   HD12  ILE  60          HD12      ILE  60   3.352  -6.126  -4.351
  361   HD13  ILE  60          HD13      ILE  60   2.751  -5.361  -5.822
  362    H    GLY  61           HN       GLY  61   4.810  -0.577  -3.386
  363    HA2  GLY  61           HA2      GLY  61   4.491   1.774  -5.060
  364    HA3  GLY  61           HA1      GLY  61   5.206   1.719  -3.454
  365    H    GLU  62           HN       GLU  62   6.717   3.229  -4.685
  366    HA   GLU  62           HA       GLU  62   8.630   1.858  -6.397
  367    HB2  GLU  62           HB2      GLU  62   8.515   4.718  -5.418
  368    HB3  GLU  62           HB1      GLU  62   9.694   4.090  -6.561
  369    HG2  GLU  62           HG2      GLU  62   7.814   3.515  -8.083
  370    HG3  GLU  62           HG1      GLU  62   6.725   4.329  -6.962
  371    HA   PRO  63           HA       PRO  63  11.704   1.034  -3.239
  372    HB2  PRO  63           HB2      PRO  63  13.628   2.149  -5.213
  373    HB3  PRO  63           HB1      PRO  63  13.647   0.589  -4.384
  374    HG2  PRO  63           HG2      PRO  63  12.989   0.771  -6.966
  375    HG3  PRO  63           HG1      PRO  63  12.177  -0.378  -5.886
  376    HD2  PRO  63           HD2      PRO  63  11.199   2.231  -6.961
  377    HD3  PRO  63           HD1      PRO  63  10.306   0.731  -6.645
  378    H    MET  64           HN       MET  64  11.621   2.457  -1.586
  379    HA   MET  64           HA       MET  64  12.253   5.281  -2.130
  380    HB2  MET  64           HB2      MET  64  10.510   4.057   0.011
  381    HB3  MET  64           HB1      MET  64  10.872   5.773  -0.135
  382    HG2  MET  64           HG2      MET  64   9.477   4.125  -2.228
  383    HG3  MET  64           HG1      MET  64   8.681   5.156  -1.049
  384    HE1  MET  64           HE1      MET  64   8.354   7.675  -1.275
  385    HE2  MET  64           HE2      MET  64   9.481   8.718  -2.144
  386    HE3  MET  64           HE3      MET  64  10.046   7.756  -0.779
  387    HA   PRO  65           HA       PRO  65  15.685   4.792   0.597
  388    HB2  PRO  65           HB2      PRO  65  16.296   7.349   1.094
  389    HB3  PRO  65           HB1      PRO  65  16.465   6.653  -0.523
  390    HG2  PRO  65           HG2      PRO  65  14.282   8.374   0.580
  391    HG3  PRO  65           HG1      PRO  65  15.074   8.450  -1.004
  392    HD2  PRO  65           HD2      PRO  65  12.639   7.258  -0.552
  393    HD3  PRO  65           HD1      PRO  65  13.727   6.825  -1.886
  394    H    SER  66           HN       SER  66  12.697   5.662   1.799
  395    HA   SER  66           HA       SER  66  13.673   5.357   4.519
  396    HB2  SER  66           HB2      SER  66  11.850   7.629   3.691
  397    HB3  SER  66           HB1      SER  66  12.378   7.272   5.333
  398    HG   SER  66           HG       SER  66  14.578   7.439   3.990
  399    H    VAL  67           HN       VAL  67  12.230   4.275   5.829
  400    HA   VAL  67           HA       VAL  67  10.458   2.553   4.442
  401    HB   VAL  67           HB       VAL  67   9.864   1.638   6.669
  402   HG11  VAL  67          HG11      VAL  67  12.100   0.802   7.231
  403   HG12  VAL  67          HG12      VAL  67  12.814   2.039   6.196
  404   HG13  VAL  67          HG13      VAL  67  11.801   0.777   5.493
  405   HG21  VAL  67          HG21      VAL  67  11.708   3.780   7.723
  406   HG22  VAL  67          HG22      VAL  67  11.015   2.460   8.664
  407   HG23  VAL  67          HG23      VAL  67   9.965   3.697   7.973
  408    H    LYS  68           HN       LYS  68   9.953   5.476   6.269
  409    HA   LYS  68           HA       LYS  68   7.138   5.176   6.552
  410    HB2  LYS  68           HB2      LYS  68   8.926   7.604   6.656
  411    HB3  LYS  68           HB1      LYS  68   7.198   7.661   6.969
  412    HG2  LYS  68           HG2      LYS  68   9.151   5.975   8.518
  413    HG3  LYS  68           HG1      LYS  68   8.581   7.567   9.017
  414    HD2  LYS  68           HD2      LYS  68   6.277   6.721   9.040
  415    HD3  LYS  68           HD1      LYS  68   6.864   5.128   8.566
  416    HE2  LYS  68           HE2      LYS  68   6.455   5.235  10.967
  417    HE3  LYS  68           HE1      LYS  68   8.165   4.984  10.624
  418    HZ1  LYS  68           HZ1      LYS  68   7.830   6.623  12.367
  419    HZ2  LYS  68           HZ2      LYS  68   6.913   7.584  11.324
  420    HZ3  LYS  68           HZ3      LYS  68   8.557   7.332  11.015
  421    H    LYS  69           HN       LYS  69   9.231   6.546   4.084
  422    HA   LYS  69           HA       LYS  69   7.106   7.728   2.577
  423    HB2  LYS  69           HB2      LYS  69   9.879   6.986   1.628
  424    HB3  LYS  69           HB1      LYS  69   8.774   8.119   0.865
  425    HG2  LYS  69           HG2      LYS  69   8.933   9.544   2.876
  426    HG3  LYS  69           HG1      LYS  69  10.147   8.437   3.511
  427    HD2  LYS  69           HD2      LYS  69  11.329  10.239   2.519
  428    HD3  LYS  69           HD1      LYS  69  11.472   8.873   1.409
  429    HE2  LYS  69           HE2      LYS  69   9.737   9.785  -0.002
  430    HE3  LYS  69           HE1      LYS  69   9.435  11.086   1.148
  431    HZ1  LYS  69           HZ1      LYS  69  10.796  11.748  -0.788
  432    HZ2  LYS  69           HZ2      LYS  69  12.011  10.691  -0.273
  433    HZ3  LYS  69           HZ3      LYS  69  11.573  12.008   0.690
  434    H    ALA  70           HN       ALA  70   8.693   4.648   2.752
  435    HA   ALA  70           HA       ALA  70   7.956   3.533   0.310
  436    HB1  ALA  70           HB1      ALA  70   9.529   2.474   1.868
  437    HB2  ALA  70           HB2      ALA  70   8.242   1.365   1.387
  438    HB3  ALA  70           HB3      ALA  70   8.196   2.134   2.973
  439    H    LYS  71           HN       LYS  71   6.292   3.128   3.445
  440    HA   LYS  71           HA       LYS  71   4.011   1.864   2.584
  441    HB2  LYS  71           HB2      LYS  71   4.288   3.896   4.805
  442    HB3  LYS  71           HB1      LYS  71   2.948   2.774   4.620
  443    HG2  LYS  71           HG2      LYS  71   4.322   0.910   5.098
  444    HG3  LYS  71           HG1      LYS  71   5.796   1.873   4.954
  445    HD2  LYS  71           HD2      LYS  71   5.199   3.143   6.927
  446    HD3  LYS  71           HD1      LYS  71   3.658   2.293   7.042
  447    HE2  LYS  71           HE2      LYS  71   6.335   0.922   7.194
  448    HE3  LYS  71           HE1      LYS  71   5.459   1.497   8.610
  449    HZ1  LYS  71           HZ1      LYS  71   4.518  -0.540   6.666
  450    HZ2  LYS  71           HZ2      LYS  71   3.601   0.058   7.955
  451    HZ3  LYS  71           HZ3      LYS  71   5.013  -0.820   8.260
  452    H    ASP  72           HN       ASP  72   4.400   5.356   3.157
  453    HA   ASP  72           HA       ASP  72   1.815   6.075   2.467
  454    HB2  ASP  72           HB2      ASP  72   3.347   7.544   3.695
  455    HB3  ASP  72           HB1      ASP  72   4.303   7.769   2.231
  456    H    SER  73           HN       SER  73   4.679   5.874   0.349
  457    HA   SER  73           HA       SER  73   3.385   7.177  -1.817
  458    HB2  SER  73           HB2      SER  73   5.826   5.391  -1.848
  459    HB3  SER  73           HB1      SER  73   5.344   6.520  -3.114
  460    HG   SER  73           HG       SER  73   6.378   7.027  -0.556
  461    H    ALA  74           HN       ALA  74   3.798   3.782  -0.909
  462    HA   ALA  74           HA       ALA  74   2.626   2.708  -3.275
  463    HB1  ALA  74           HB1      ALA  74   2.635   1.518  -0.498
  464    HB2  ALA  74           HB2      ALA  74   3.973   1.396  -1.646
  465    HB3  ALA  74           HB3      ALA  74   2.417   0.657  -2.025
  466    H    ALA  75           HN       ALA  75   1.432   3.584  -0.118
  467    HA   ALA  75           HA       ALA  75  -1.263   2.983  -0.316
  468    HB1  ALA  75           HB1      ALA  75  -0.073   5.379   1.074
  469    HB2  ALA  75           HB2      ALA  75  -0.192   3.753   1.747
  470    HB3  ALA  75           HB3      ALA  75  -1.656   4.666   1.386
  471    H    VAL  76           HN       VAL  76   0.473   5.747  -1.689
  472    HA   VAL  76           HA       VAL  76  -1.789   7.304  -2.374
  473    HB   VAL  76           HB       VAL  76   0.954   7.237  -3.655
  474   HG11  VAL  76          HG11      VAL  76  -0.692   8.209  -5.175
  475   HG12  VAL  76          HG12      VAL  76   0.401   9.446  -4.556
  476   HG13  VAL  76          HG13      VAL  76  -1.231   9.305  -3.903
  477   HG21  VAL  76          HG21      VAL  76   1.375   9.236  -2.311
  478   HG22  VAL  76          HG22      VAL  76   0.997   7.842  -1.296
  479   HG23  VAL  76          HG23      VAL  76  -0.223   9.082  -1.581
  480    H    LEU  77           HN       LEU  77  -0.118   4.668  -3.961
  481    HA   LEU  77           HA       LEU  77  -1.525   4.898  -6.453
  482    HB2  LEU  77           HB2      LEU  77  -0.005   2.572  -5.260
  483    HB3  LEU  77           HB1      LEU  77  -0.536   2.696  -6.921
  484    HG   LEU  77           HG       LEU  77   1.498   4.495  -5.606
  485   HD11  LEU  77          HD11      LEU  77   2.335   2.230  -5.928
  486   HD12  LEU  77          HD12      LEU  77   3.112   3.356  -7.040
  487   HD13  LEU  77          HD13      LEU  77   1.842   2.279  -7.621
  488   HD21  LEU  77          HD21      LEU  77   1.896   5.337  -7.865
  489   HD22  LEU  77          HD22      LEU  77   0.236   5.640  -7.354
  490   HD23  LEU  77          HD23      LEU  77   0.586   4.327  -8.477
  491    H    LEU  78           HN       LEU  78  -1.846   3.212  -3.451
  492    HA   LEU  78           HA       LEU  78  -3.919   1.424  -4.069
  493    HB2  LEU  78           HB2      LEU  78  -2.510   1.307  -2.081
  494    HB3  LEU  78           HB1      LEU  78  -3.176   2.819  -1.511
  495    HG   LEU  78           HG       LEU  78  -5.425   1.637  -1.450
  496   HD11  LEU  78          HD11      LEU  78  -3.640  -0.789  -1.590
  497   HD12  LEU  78          HD12      LEU  78  -4.753  -0.269  -2.853
  498   HD13  LEU  78          HD13      LEU  78  -5.377  -0.776  -1.285
  499   HD21  LEU  78          HD21      LEU  78  -4.727   0.469   0.719
  500   HD22  LEU  78          HD22      LEU  78  -4.404   2.197   0.577
  501   HD23  LEU  78          HD23      LEU  78  -3.096   1.038   0.345
  502    H    LEU  79           HN       LEU  79  -3.872   4.765  -3.003
  503    HA   LEU  79           HA       LEU  79  -6.597   5.137  -2.544
  504    HB2  LEU  79           HB2      LEU  79  -4.679   7.180  -3.651
  505    HB3  LEU  79           HB1      LEU  79  -6.154   7.487  -2.770
  506    HG   LEU  79           HG       LEU  79  -3.569   6.403  -1.708
  507   HD11  LEU  79          HD11      LEU  79  -5.227   8.807  -0.979
  508   HD12  LEU  79          HD12      LEU  79  -3.713   8.811  -1.884
  509   HD13  LEU  79          HD13      LEU  79  -3.728   8.311  -0.193
  510   HD21  LEU  79          HD21      LEU  79  -6.257   6.444  -0.355
  511   HD22  LEU  79          HD22      LEU  79  -4.722   6.212   0.480
  512   HD23  LEU  79          HD23      LEU  79  -5.257   5.035  -0.722
  513    H    GLU  80           HN       GLU  80  -4.779   4.970  -5.509
  514    HA   GLU  80           HA       GLU  80  -6.805   6.103  -7.180
  515    HB2  GLU  80           HB2      GLU  80  -4.497   4.276  -7.876
  516    HB3  GLU  80           HB1      GLU  80  -5.500   5.139  -9.040
  517    HG2  GLU  80           HG2      GLU  80  -4.736   7.271  -7.988
  518    HG3  GLU  80           HG1      GLU  80  -3.613   6.319  -7.017
  519    H    LEU  81           HN       LEU  81  -5.931   2.898  -6.095
  520    HA   LEU  81           HA       LEU  81  -7.728   1.425  -7.715
  521    HB2  LEU  81           HB2      LEU  81  -5.695   0.797  -6.052
  522    HB3  LEU  81           HB1      LEU  81  -7.053   0.467  -5.001
  523    HG   LEU  81           HG       LEU  81  -6.647  -0.777  -7.710
  524   HD11  LEU  81          HD11      LEU  81  -6.194  -1.931  -4.963
  525   HD12  LEU  81          HD12      LEU  81  -4.930  -1.452  -6.095
  526   HD13  LEU  81          HD13      LEU  81  -6.015  -2.786  -6.497
  527   HD21  LEU  81          HD21      LEU  81  -8.411  -2.322  -7.007
  528   HD22  LEU  81          HD22      LEU  81  -8.997  -0.660  -7.038
  529   HD23  LEU  81          HD23      LEU  81  -8.599  -1.426  -5.500
  530    H    LEU  82           HN       LEU  82  -7.843   2.687  -4.428
  531    HA   LEU  82           HA       LEU  82 -10.497   1.914  -3.854
  532    HB2  LEU  82           HB2      LEU  82  -8.368   3.533  -2.629
  533    HB3  LEU  82           HB1      LEU  82 -10.000   3.966  -2.161
  534    HG   LEU  82           HG       LEU  82 -10.406   1.861  -1.215
  535   HD11  LEU  82          HD11      LEU  82  -7.865   0.892  -2.495
  536   HD12  LEU  82          HD12      LEU  82  -9.512   0.410  -2.908
  537   HD13  LEU  82          HD13      LEU  82  -8.833  -0.025  -1.340
  538   HD21  LEU  82          HD21      LEU  82  -7.570   2.640  -0.575
  539   HD22  LEU  82          HD22      LEU  82  -8.587   1.599   0.419
  540   HD23  LEU  82          HD23      LEU  82  -9.027   3.289   0.176
  541    H    ASN  83           HN       ASN  83  -9.275   4.385  -5.814
  542    HA   ASN  83           HA       ASN  83 -11.557   6.149  -5.468
  543    HB2  ASN  83           HB2      ASN  83  -9.250   6.987  -6.048
  544    HB3  ASN  83           HB1      ASN  83  -9.441   6.236  -7.627
  545   HD21  ASN  83          HD21      ASN  83  -9.255   8.210  -8.672
  546   HD22  ASN  83          HD22      ASN  83 -10.532   9.376  -8.661
  547    H    LYS  84           HN       LYS  84 -11.067   3.251  -6.875
  548    HA   LYS  84           HA       LYS  84 -13.027   3.715  -9.016
  549    HB2  LYS  84           HB2      LYS  84 -11.055   1.432  -8.836
  550    HB3  LYS  84           HB1      LYS  84 -12.076   1.849 -10.205
  551    HG2  LYS  84           HG2      LYS  84 -10.818   3.986 -10.394
  552    HG3  LYS  84           HG1      LYS  84  -9.727   3.395  -9.146
  553    HD2  LYS  84           HD2      LYS  84  -9.053   1.544 -10.515
  554    HD3  LYS  84           HD1      LYS  84 -10.262   1.948 -11.736
  555    HE2  LYS  84           HE2      LYS  84  -8.048   2.674 -12.435
  556    HE3  LYS  84           HE1      LYS  84  -9.112   4.055 -12.176
  557    HZ1  LYS  84           HZ1      LYS  84  -7.048   3.077 -10.282
  558    HZ2  LYS  84           HZ2      LYS  84  -8.080   4.387 -10.010
  559    HZ3  LYS  84           HZ3      LYS  84  -6.935   4.460 -11.250
  560    H    THR  85           HN       THR  85 -14.010   3.469  -6.512
  561    HA   THR  85           HA       THR  85 -14.887   0.669  -6.342
  562    HB   THR  85           HB       THR  85 -15.112   1.072  -3.852
  563    HG1  THR  85           HG1      THR  85 -13.198   3.124  -4.139
  564   HG21  THR  85          HG21      THR  85 -12.343   1.184  -5.052
  565   HG22  THR  85          HG22      THR  85 -13.293  -0.272  -4.760
  566   HG23  THR  85          HG23      THR  85 -12.721   0.694  -3.402
  Start of MODEL    2
    1    H1   ASN  15           HT1      ASN  15  -5.919   6.674   6.870
    2    H2   ASN  15           HT2      ASN  15  -6.181   6.010   5.335
    3    H3   ASN  15           HT3      ASN  15  -4.900   5.456   6.288
    4    HA   ASN  15           HA       ASN  15  -6.678   3.869   6.313
    5    HB2  ASN  15           HB2      ASN  15  -6.965   3.651   8.726
    6    HB3  ASN  15           HB1      ASN  15  -5.317   4.149   8.360
    7   HD21  ASN  15          HD21      ASN  15  -6.962   4.450  10.803
    8   HD22  ASN  15          HD22      ASN  15  -6.943   6.144  11.151
    9    H    ASP  16           HN       ASP  16  -7.709   7.120   6.527
   10    HA   ASP  16           HA       ASP  16 -10.222   6.808   7.767
   11    HB2  ASP  16           HB2      ASP  16  -9.075   8.985   7.448
   12    HB3  ASP  16           HB1      ASP  16  -9.382   8.874   5.721
   13    H    ILE  17           HN       ILE  17  -9.238   6.803   4.369
   14    HA   ILE  17           HA       ILE  17 -11.807   6.650   3.270
   15    HB   ILE  17           HB       ILE  17  -9.155   5.764   2.141
   16   HG12  ILE  17          HG12      ILE  17  -9.601   7.772   0.654
   17   HG13  ILE  17          HG11      ILE  17 -10.935   8.163   1.726
   18   HG21  ILE  17          HG21      ILE  17 -10.254   5.591  -0.036
   19   HG22  ILE  17          HG22      ILE  17 -11.814   5.904   0.725
   20   HG23  ILE  17          HG23      ILE  17 -10.923   4.432   1.113
   21   HD11  ILE  17          HD11      ILE  17  -8.054   7.967   2.543
   22   HD12  ILE  17          HD12      ILE  17  -9.413   8.418   3.574
   23   HD13  ILE  17          HD13      ILE  17  -8.941   9.460   2.231
   24    H    CYS  18           HN       CYS  18  -9.526   4.111   4.214
   25    HA   CYS  18           HA       CYS  18 -11.114   1.953   3.256
   26    HB2  CYS  18           HB2      CYS  18  -8.640   1.865   3.703
   27    HB3  CYS  18           HB1      CYS  18  -9.002   1.896   5.424
   28    HG   CYS  18           HG       CYS  18  -9.831  -0.598   5.681
   29    H    LEU  19           HN       LEU  19 -10.696   3.542   6.360
   30    HA   LEU  19           HA       LEU  19 -12.288   1.856   7.943
   31    HB2  LEU  19           HB2      LEU  19 -10.706   3.639   8.696
   32    HB3  LEU  19           HB1      LEU  19 -11.905   4.823   8.248
   33    HG   LEU  19           HG       LEU  19 -13.466   3.795   9.901
   34   HD11  LEU  19          HD11      LEU  19 -12.524   2.315  11.613
   35   HD12  LEU  19          HD12      LEU  19 -11.013   2.239  10.706
   36   HD13  LEU  19          HD13      LEU  19 -12.491   1.574  10.015
   37   HD21  LEU  19          HD21      LEU  19 -12.159   5.789  10.429
   38   HD22  LEU  19          HD22      LEU  19 -10.832   4.776  10.992
   39   HD23  LEU  19          HD23      LEU  19 -12.371   4.769  11.852
   40    H    ARG  20           HN       ARG  20 -13.009   4.846   6.226
   41    HA   ARG  20           HA       ARG  20 -15.679   5.124   7.046
   42    HB2  ARG  20           HB2      ARG  20 -14.096   6.847   6.041
   43    HB3  ARG  20           HB1      ARG  20 -14.491   6.158   4.477
   44    HG2  ARG  20           HG2      ARG  20 -16.760   6.821   4.663
   45    HG3  ARG  20           HG1      ARG  20 -16.549   7.263   6.358
   46    HD2  ARG  20           HD2      ARG  20 -15.264   8.604   3.982
   47    HD3  ARG  20           HD1      ARG  20 -16.566   9.257   4.975
   48    HE   ARG  20           HE       ARG  20 -13.751   8.934   5.780
   49   HH11  ARG  20          HH11      ARG  20 -16.965  10.170   6.438
   50   HH12  ARG  20          HH12      ARG  20 -16.448  11.166   7.757
   51   HH21  ARG  20          HH21      ARG  20 -13.070  10.235   7.525
   52   HH22  ARG  20          HH22      ARG  20 -14.239  11.198   8.383
   53    H    LYS  21           HN       LYS  21 -14.216   3.382   4.381
   54    HA   LYS  21           HA       LYS  21 -16.648   2.830   2.991
   55    HB2  LYS  21           HB2      LYS  21 -13.856   1.749   2.865
   56    HB3  LYS  21           HB1      LYS  21 -15.153   1.005   1.935
   57    HG2  LYS  21           HG2      LYS  21 -14.319   3.892   1.767
   58    HG3  LYS  21           HG1      LYS  21 -13.873   2.627   0.623
   59    HD2  LYS  21           HD2      LYS  21 -16.739   3.209   1.250
   60    HD3  LYS  21           HD1      LYS  21 -15.868   4.147   0.053
   61    HE2  LYS  21           HE2      LYS  21 -15.357   2.093  -1.172
   62    HE3  LYS  21           HE1      LYS  21 -16.224   1.156   0.040
   63    HZ1  LYS  21           HZ1      LYS  21 -17.558   1.585  -1.944
   64    HZ2  LYS  21           HZ2      LYS  21 -17.439   3.250  -1.682
   65    HZ3  LYS  21           HZ3      LYS  21 -18.253   2.274  -0.567
   66    H    ASN  22           HN       ASN  22 -15.766   1.933   5.926
   67    HA   ASN  22           HA       ASN  22 -16.454   0.394   7.428
   68    HB2  ASN  22           HB2      ASN  22 -18.655   0.658   6.255
   69    HB3  ASN  22           HB1      ASN  22 -18.224  -0.712   5.243
   70   HD21  ASN  22          HD21      ASN  22 -17.463  -0.449   8.665
   71   HD22  ASN  22          HD22      ASN  22 -18.508  -1.726   9.177
   72    H    TRP  23           HN       TRP  23 -14.249  -0.024   5.547
   73    HA   TRP  23           HA       TRP  23 -14.073  -2.937   5.436
   74    HB2  TRP  23           HB2      TRP  23 -12.140  -0.786   4.533
   75    HB3  TRP  23           HB1      TRP  23 -11.892  -2.511   4.321
   76    HD1  TRP  23           HD1      TRP  23 -15.094  -2.907   3.353
   77    HE1  TRP  23           HE1      TRP  23 -15.592  -2.307   0.887
   78    HE3  TRP  23           HE3      TRP  23 -11.049   0.053   2.426
   79    HZ2  TRP  23           HZ2      TRP  23 -14.370  -0.785  -1.184
   80    HZ3  TRP  23           HZ3      TRP  23 -10.781   1.039   0.200
   81    HH2  TRP  23           HH2      TRP  23 -12.406   0.629  -1.568
   82    HA   PRO  24           HA       PRO  24 -11.477  -3.110   9.087
   83    HB2  PRO  24           HB2      PRO  24  -9.748  -5.084   8.437
   84    HB3  PRO  24           HB1      PRO  24 -11.429  -5.395   8.878
   85    HG2  PRO  24           HG2      PRO  24 -10.177  -5.251   6.169
   86    HG3  PRO  24           HG1      PRO  24 -11.373  -6.402   6.788
   87    HD2  PRO  24           HD2      PRO  24 -12.033  -4.295   5.211
   88    HD3  PRO  24           HD1      PRO  24 -13.130  -4.953   6.440
   89    H    MET  25           HN       MET  25  -8.837  -3.488   9.419
   90    HA   MET  25           HA       MET  25  -7.694  -1.138   8.244
   91    HB2  MET  25           HB2      MET  25  -6.489  -3.235  10.048
   92    HB3  MET  25           HB1      MET  25  -5.727  -1.710   9.620
   93    HG2  MET  25           HG2      MET  25  -8.416  -1.744  10.909
   94    HG3  MET  25           HG1      MET  25  -6.964  -1.947  11.874
   95    HE1  MET  25           HE1      MET  25  -8.521   1.873   9.895
   96    HE2  MET  25           HE2      MET  25  -9.267   0.274   9.900
   97    HE3  MET  25           HE3      MET  25  -7.947   0.635   8.788
   98    HA   PRO  26           HA       PRO  26  -5.849  -3.148   4.730
   99    HB2  PRO  26           HB2      PRO  26  -3.952  -0.917   4.696
  100    HB3  PRO  26           HB1      PRO  26  -5.147  -1.384   3.488
  101    HG2  PRO  26           HG2      PRO  26  -5.425   0.829   5.004
  102    HG3  PRO  26           HG1      PRO  26  -6.812  -0.125   4.452
  103    HD2  PRO  26           HD2      PRO  26  -5.503  -0.062   7.139
  104    HD3  PRO  26           HD1      PRO  26  -7.224  -0.185   6.720
  105    H    SER  27           HN       SER  27  -3.898  -4.136   4.134
  106    HA   SER  27           HA       SER  27  -2.157  -4.757   6.384
  107    HB2  SER  27           HB2      SER  27  -3.130  -6.518   4.862
  108    HB3  SER  27           HB1      SER  27  -2.091  -5.892   3.588
  109    HG   SER  27           HG       SER  27  -1.142  -6.824   6.097
  110    H    TYR  28           HN       TYR  28   0.083  -4.414   6.415
  111    HA   TYR  28           HA       TYR  28   1.245  -2.864   4.263
  112    HB2  TYR  28           HB2      TYR  28   0.943  -1.890   7.097
  113    HB3  TYR  28           HB1      TYR  28   2.238  -1.312   6.062
  114    HD1  TYR  28           HD2      TYR  28  -1.372  -1.239   6.687
  115    HD2  TYR  28           HD1      TYR  28   1.771   0.163   4.184
  116    HE1  TYR  28           HE2      TYR  28  -2.860   0.505   5.795
  117    HE2  TYR  28           HE1      TYR  28   0.308   1.919   3.306
  118    HH   TYR  28           HH       TYR  28  -2.080   2.348   3.037
  119    H    ARG  29           HN       ARG  29   3.051  -4.053   3.799
  120    HA   ARG  29           HA       ARG  29   4.988  -4.605   5.799
  121    HB2  ARG  29           HB2      ARG  29   3.461  -6.477   6.237
  122    HB3  ARG  29           HB1      ARG  29   3.558  -6.946   4.549
  123    HG2  ARG  29           HG2      ARG  29   5.778  -7.660   4.755
  124    HG3  ARG  29           HG1      ARG  29   5.993  -6.817   6.289
  125    HD2  ARG  29           HD2      ARG  29   4.188  -9.184   5.819
  126    HD3  ARG  29           HD1      ARG  29   5.764  -9.236   6.608
  127    HE   ARG  29           HE       ARG  29   4.117  -7.358   7.911
  128   HH11  ARG  29          HH11      ARG  29   4.472 -10.818   7.523
  129   HH12  ARG  29          HH12      ARG  29   3.740 -11.188   9.050
  130   HH21  ARG  29          HH21      ARG  29   3.156  -7.836   9.908
  131   HH22  ARG  29          HH22      ARG  29   2.991  -9.487  10.411
  132    H    CYS  30           HN       CYS  30   6.878  -4.340   4.813
  133    HA   CYS  30           HA       CYS  30   7.042  -3.801   2.072
  134    HB2  CYS  30           HB2      CYS  30   9.246  -4.391   4.050
  135    HB3  CYS  30           HB1      CYS  30   9.493  -3.715   2.443
  136    HG   CYS  30           HG       CYS  30   9.395  -1.979   4.976
  137    H    VAL  31           HN       VAL  31   7.474  -4.955   0.343
  138    HA   VAL  31           HA       VAL  31   7.585  -7.830   0.587
  139    HB   VAL  31           HB       VAL  31   7.471  -7.843  -1.867
  140   HG11  VAL  31          HG11      VAL  31   5.210  -6.890  -2.064
  141   HG12  VAL  31          HG12      VAL  31   5.449  -6.068  -0.523
  142   HG13  VAL  31          HG13      VAL  31   5.418  -7.830  -0.586
  143   HG21  VAL  31          HG21      VAL  31   7.397  -4.842  -1.645
  144   HG22  VAL  31          HG22      VAL  31   7.105  -5.775  -3.115
  145   HG23  VAL  31          HG23      VAL  31   8.696  -5.800  -2.353
  146    H    LYS  32           HN       LYS  32   9.674  -5.186  -0.304
  147    HA   LYS  32           HA       LYS  32  11.926  -7.048  -0.130
  148    HB2  LYS  32           HB2      LYS  32  11.538  -6.431  -2.519
  149    HB3  LYS  32           HB1      LYS  32  11.769  -4.747  -2.071
  150    HG2  LYS  32           HG2      LYS  32  14.033  -5.216  -1.348
  151    HG3  LYS  32           HG1      LYS  32  13.821  -6.919  -1.746
  152    HD2  LYS  32           HD2      LYS  32  13.490  -6.323  -4.096
  153    HD3  LYS  32           HD1      LYS  32  13.707  -4.619  -3.690
  154    HE2  LYS  32           HE2      LYS  32  15.758  -5.629  -4.600
  155    HE3  LYS  32           HE1      LYS  32  15.969  -5.047  -2.949
  156    HZ1  LYS  32           HZ1      LYS  32  16.968  -7.230  -3.283
  157    HZ2  LYS  32           HZ2      LYS  32  15.464  -7.872  -3.715
  158    HZ3  LYS  32           HZ3      LYS  32  15.722  -7.300  -2.145
  159    H    GLU  33           HN       GLU  33  13.284  -6.467   1.371
  160    HA   GLU  33           HA       GLU  33  13.882  -3.677   1.911
  161    HB2  GLU  33           HB2      GLU  33  11.893  -4.427   3.349
  162    HB3  GLU  33           HB1      GLU  33  13.019  -5.489   4.172
  163    HG2  GLU  33           HG2      GLU  33  13.402  -2.516   3.994
  164    HG3  GLU  33           HG1      GLU  33  12.511  -3.297   5.294
  165    H    GLY  34           HN       GLY  34  15.983  -3.433   2.596
  166    HA2  GLY  34           HA2      GLY  34  17.958  -4.000   3.676
  167    HA3  GLY  34           HA1      GLY  34  17.324  -5.616   3.936
  168    H    GLY  35           HN       GLY  35  19.799  -5.667   3.344
  169    HA2  GLY  35           HA2      GLY  35  20.414  -7.253   1.343
  170    HA3  GLY  35           HA1      GLY  35  20.232  -5.741   0.457
  171    HA   PRO  36           HA       PRO  36  24.695  -5.929   1.745
  172    HB2  PRO  36           HB2      PRO  36  24.839  -4.264  -0.711
  173    HB3  PRO  36           HB1      PRO  36  25.846  -5.627  -0.222
  174    HG2  PRO  36           HG2      PRO  36  24.037  -5.903  -2.152
  175    HG3  PRO  36           HG1      PRO  36  24.319  -7.200  -0.976
  176    HD2  PRO  36           HD2      PRO  36  22.093  -5.206  -1.103
  177    HD3  PRO  36           HD1      PRO  36  22.036  -6.933  -0.692
  178    H    ALA  37           HN       ALA  37  23.815  -3.043  -0.083
  179    HA   ALA  37           HA       ALA  37  23.313  -1.419   2.210
  180    HB1  ALA  37           HB1      ALA  37  25.211   0.070   2.030
  181    HB2  ALA  37           HB2      ALA  37  25.876  -0.887   0.709
  182    HB3  ALA  37           HB3      ALA  37  25.776  -1.572   2.330
  183    H    HIS  38           HN       HIS  38  24.283  -1.528  -1.184
  184    HA   HIS  38           HA       HIS  38  22.983   0.897  -1.911
  185    HB2  HIS  38           HB2      HIS  38  23.407   0.253  -4.211
  186    HB3  HIS  38           HB1      HIS  38  24.829  -0.103  -3.241
  187    HD1  HIS  38           HD1      HIS  38  25.571  -2.545  -3.090
  188    HD2  HIS  38           HD2      HIS  38  22.023  -2.024  -5.195
  189    HE1  HIS  38           HE1      HIS  38  25.079  -4.771  -4.141
  190    HE2  HIS  38           HE2      HIS  38  22.904  -4.451  -5.373
  191    H    ALA  39           HN       ALA  39  21.699  -1.935  -0.888
  192    HA   ALA  39           HA       ALA  39  19.295  -1.664  -2.560
  193    HB1  ALA  39           HB1      ALA  39  18.826  -4.005  -2.107
  194    HB2  ALA  39           HB2      ALA  39  20.254  -4.108  -1.077
  195    HB3  ALA  39           HB3      ALA  39  20.434  -3.824  -2.808
  196    H    LYS  40           HN       LYS  40  19.933  -0.102  -0.180
  197    HA   LYS  40           HA       LYS  40  18.033  -1.124   1.776
  198    HB2  LYS  40           HB2      LYS  40  20.347   0.216   2.167
  199    HB3  LYS  40           HB1      LYS  40  19.202   1.550   2.173
  200    HG2  LYS  40           HG2      LYS  40  19.609   0.735   4.426
  201    HG3  LYS  40           HG1      LYS  40  17.928   0.491   3.949
  202    HD2  LYS  40           HD2      LYS  40  18.331  -1.843   3.529
  203    HD3  LYS  40           HD1      LYS  40  20.064  -1.633   3.781
  204    HE2  LYS  40           HE2      LYS  40  19.095  -2.635   5.739
  205    HE3  LYS  40           HE1      LYS  40  19.601  -0.993   6.122
  206    HZ1  LYS  40           HZ1      LYS  40  17.296  -0.280   5.866
  207    HZ2  LYS  40           HZ2      LYS  40  17.447  -1.464   7.057
  208    HZ3  LYS  40           HZ3      LYS  40  16.821  -1.875   5.538
  209    H    ARG  41           HN       ARG  41  17.571   0.047  -0.998
  210    HA   ARG  41           HA       ARG  41  15.562   2.053  -0.381
  211    HB2  ARG  41           HB2      ARG  41  15.873   0.527  -2.976
  212    HB3  ARG  41           HB1      ARG  41  15.023   2.041  -2.724
  213    HG2  ARG  41           HG2      ARG  41  17.994   1.707  -2.401
  214    HG3  ARG  41           HG1      ARG  41  17.206   2.288  -3.868
  215    HD2  ARG  41           HD2      ARG  41  16.320   4.194  -2.693
  216    HD3  ARG  41           HD1      ARG  41  16.931   3.579  -1.158
  217    HE   ARG  41           HE       ARG  41  19.205   3.803  -2.336
  218   HH11  ARG  41          HH11      ARG  41  16.489   5.950  -2.895
  219   HH12  ARG  41          HH12      ARG  41  17.489   7.324  -3.233
  220   HH21  ARG  41          HH21      ARG  41  20.517   5.617  -2.777
  221   HH22  ARG  41          HH22      ARG  41  19.775   7.137  -3.155
  222    H    PHE  42           HN       PHE  42  13.367   1.617  -0.251
  223    HA   PHE  42           HA       PHE  42  12.860  -1.229   0.279
  224    HB2  PHE  42           HB2      PHE  42  11.356   1.091   1.488
  225    HB3  PHE  42           HB1      PHE  42  11.377  -0.585   2.028
  226    HD1  PHE  42           HD1      PHE  42  14.084  -1.341   2.286
  227    HD2  PHE  42           HD2      PHE  42  12.339   2.471   3.014
  228    HE1  PHE  42           HE1      PHE  42  15.928  -0.791   3.826
  229    HE2  PHE  42           HE2      PHE  42  14.166   3.019   4.557
  230    HZ   PHE  42           HZ       PHE  42  15.963   1.388   4.968
  231    H    THR  43           HN       THR  43  11.222  -2.224  -0.615
  232    HA   THR  43           HA       THR  43   9.336  -0.672  -2.259
  233    HB   THR  43           HB       THR  43  10.401  -3.439  -2.906
  234    HG1  THR  43           HG1      THR  43  11.613  -1.075  -3.167
  235   HG21  THR  43          HG21      THR  43   9.434  -2.997  -5.120
  236   HG22  THR  43          HG22      THR  43   8.842  -1.436  -4.551
  237   HG23  THR  43          HG23      THR  43   8.204  -2.926  -3.858
  238    H    PHE  44           HN       PHE  44   7.165  -1.138  -1.776
  239    HA   PHE  44           HA       PHE  44   6.669  -3.449  -0.087
  240    HB2  PHE  44           HB2      PHE  44   6.819  -2.045   1.706
  241    HB3  PHE  44           HB1      PHE  44   6.682  -0.607   0.707
  242    HD1  PHE  44           HD2      PHE  44   4.701  -3.359   2.165
  243    HD2  PHE  44           HD1      PHE  44   4.731   0.638   0.733
  244    HE1  PHE  44           HE2      PHE  44   2.422  -3.039   3.007
  245    HE2  PHE  44           HE1      PHE  44   2.455   0.962   1.594
  246    HZ   PHE  44           HZ       PHE  44   1.248  -0.862   2.573
  247    H    GLY  45           HN       GLY  45   4.376  -3.998   0.003
  248    HA2  GLY  45           HA2      GLY  45   2.773  -2.717  -2.116
  249    HA3  GLY  45           HA1      GLY  45   2.853  -4.465  -1.940
  250    H    VAL  46           HN       VAL  46   0.662  -2.345  -1.638
  251    HA   VAL  46           HA       VAL  46  -0.164  -2.909   1.146
  252    HB   VAL  46           HB       VAL  46  -1.727  -1.008  -0.512
  253   HG11  VAL  46          HG11      VAL  46  -1.803   0.225   1.640
  254   HG12  VAL  46          HG12      VAL  46  -0.829  -1.058   2.356
  255   HG13  VAL  46          HG13      VAL  46  -2.433  -1.419   1.721
  256   HG21  VAL  46          HG21      VAL  46   0.480  -0.301  -1.134
  257   HG22  VAL  46          HG22      VAL  46   0.985  -0.273   0.553
  258   HG23  VAL  46          HG23      VAL  46  -0.226   0.872  -0.024
  259    H    ARG  47           HN       ARG  47  -2.384  -3.627   1.482
  260    HA   ARG  47           HA       ARG  47  -3.951  -4.105  -0.892
  261    HB2  ARG  47           HB2      ARG  47  -4.563  -6.401   0.087
  262    HB3  ARG  47           HB1      ARG  47  -3.013  -6.268  -0.735
  263    HG2  ARG  47           HG2      ARG  47  -2.029  -5.899   1.573
  264    HG3  ARG  47           HG1      ARG  47  -3.580  -6.447   2.197
  265    HD2  ARG  47           HD2      ARG  47  -3.338  -8.536   0.944
  266    HD3  ARG  47           HD1      ARG  47  -1.773  -7.989   0.342
  267    HE   ARG  47           HE       ARG  47  -2.162  -8.197   3.235
  268   HH11  ARG  47          HH11      ARG  47  -0.660  -9.403   0.307
  269   HH12  ARG  47          HH12      ARG  47   0.443 -10.432   1.156
  270   HH21  ARG  47          HH21      ARG  47  -0.705  -9.551   4.347
  271   HH22  ARG  47          HH22      ARG  47   0.426 -10.511   3.451
  272    H    VAL  48           HN       VAL  48  -6.119  -4.059  -0.481
  273    HA   VAL  48           HA       VAL  48  -6.920  -3.448   2.297
  274    HB   VAL  48           HB       VAL  48  -7.886  -2.168  -0.258
  275   HG11  VAL  48          HG11      VAL  48  -9.380  -0.825   1.144
  276   HG12  VAL  48          HG12      VAL  48  -8.919  -1.797   2.543
  277   HG13  VAL  48          HG13      VAL  48  -9.785  -2.541   1.198
  278   HG21  VAL  48          HG21      VAL  48  -7.061  -0.108   0.696
  279   HG22  VAL  48          HG22      VAL  48  -5.766  -1.305   0.647
  280   HG23  VAL  48          HG23      VAL  48  -6.586  -0.954   2.167
  281    H    ASN  49           HN       ASN  49  -9.056  -4.150   2.882
  282    HA   ASN  49           HA       ASN  49  -9.853  -6.497   1.351
  283    HB2  ASN  49           HB2      ASN  49  -9.525  -6.696   3.818
  284    HB3  ASN  49           HB1      ASN  49 -10.866  -5.579   4.046
  285   HD21  ASN  49          HD21      ASN  49  -9.937  -8.773   3.043
  286   HD22  ASN  49          HD22      ASN  49 -11.523  -9.458   3.064
  287    H    THR  50           HN       THR  50 -10.737  -5.436  -0.328
  288    HA   THR  50           HA       THR  50 -12.891  -3.539  -0.026
  289    HB   THR  50           HB       THR  50 -13.305  -3.822  -2.468
  290    HG1  THR  50           HG1      THR  50 -11.276  -5.794  -2.159
  291   HG21  THR  50          HG21      THR  50 -11.184  -2.822  -3.193
  292   HG22  THR  50          HG22      THR  50 -10.439  -3.319  -1.675
  293   HG23  THR  50          HG23      THR  50 -11.748  -2.137  -1.668
  294    H    SER  51           HN       SER  51 -14.729  -3.996   0.714
  295    HA   SER  51           HA       SER  51 -15.555  -6.460   1.536
  296    HB2  SER  51           HB2      SER  51 -17.753  -5.344   1.900
  297    HB3  SER  51           HB1      SER  51 -16.364  -4.412   2.465
  298    HG   SER  51           HG       SER  51 -18.200  -3.790   0.561
  299    H    ASP  52           HN       ASP  52 -15.972  -5.169  -1.667
  300    HA   ASP  52           HA       ASP  52 -18.129  -7.023  -2.264
  301    HB2  ASP  52           HB2      ASP  52 -18.389  -5.883  -4.319
  302    HB3  ASP  52           HB1      ASP  52 -18.086  -4.645  -3.108
  303    H    ARG  53           HN       ARG  53 -14.698  -7.051  -2.442
  304    HA   ARG  53           HA       ARG  53 -14.841  -9.387  -4.214
  305    HB2  ARG  53           HB2      ARG  53 -13.065  -6.988  -4.572
  306    HB3  ARG  53           HB1      ARG  53 -12.617  -8.559  -5.218
  307    HG2  ARG  53           HG2      ARG  53 -14.693  -8.598  -6.526
  308    HG3  ARG  53           HG1      ARG  53 -15.104  -7.003  -5.894
  309    HD2  ARG  53           HD2      ARG  53 -13.196  -6.022  -6.961
  310    HD3  ARG  53           HD1      ARG  53 -12.589  -7.605  -7.440
  311    HE   ARG  53           HE       ARG  53 -14.960  -7.571  -8.657
  312   HH11  ARG  53          HH11      ARG  53 -12.473  -5.116  -8.487
  313   HH12  ARG  53          HH12      ARG  53 -12.827  -4.470 -10.057
  314   HH21  ARG  53          HH21      ARG  53 -15.419  -6.722 -10.739
  315   HH22  ARG  53          HH22      ARG  53 -14.489  -5.382 -11.333
  316    H    GLY  54           HN       GLY  54 -12.945  -7.541  -1.882
  317    HA2  GLY  54           HA2      GLY  54 -12.174  -8.887   0.046
  318    HA3  GLY  54           HA1      GLY  54 -11.586 -10.036  -1.134
  319    H    TRP  55           HN       TRP  55  -9.529  -9.886  -0.189
  320    HA   TRP  55           HA       TRP  55  -8.033  -7.550   0.082
  321    HB2  TRP  55           HB2      TRP  55  -7.323 -10.432  -0.253
  322    HB3  TRP  55           HB1      TRP  55  -6.049  -9.224  -0.356
  323    HD1  TRP  55           HD1      TRP  55  -7.527 -11.399   2.111
  324    HE1  TRP  55           HE1      TRP  55  -7.149 -10.533   4.507
  325    HE3  TRP  55           HE3      TRP  55  -6.133  -6.614   1.033
  326    HZ2  TRP  55           HZ2      TRP  55  -6.349  -8.122   5.746
  327    HZ3  TRP  55           HZ3      TRP  55  -5.584  -5.095   2.872
  328    HH2  TRP  55           HH2      TRP  55  -5.693  -5.831   5.191
  329    H    THR  56           HN       THR  56  -7.235  -6.185  -1.280
  330    HA   THR  56           HA       THR  56  -7.520  -6.517  -4.104
  331    HB   THR  56           HB       THR  56  -6.424  -4.294  -4.233
  332    HG1  THR  56           HG1      THR  56  -5.071  -4.077  -2.572
  333   HG21  THR  56          HG21      THR  56  -8.183  -3.041  -3.073
  334   HG22  THR  56          HG22      THR  56  -8.616  -4.491  -2.168
  335   HG23  THR  56          HG23      THR  56  -8.844  -4.441  -3.916
  336    H    ASP  57           HN       ASP  57  -5.873  -6.555  -5.662
  337    HA   ASP  57           HA       ASP  57  -3.515  -7.981  -5.069
  338    HB2  ASP  57           HB2      ASP  57  -2.763  -7.353  -7.340
  339    HB3  ASP  57           HB1      ASP  57  -4.413  -7.959  -7.332
  340    H    GLU  58           HN       GLU  58  -1.596  -7.367  -4.380
  341    HA   GLU  58           HA       GLU  58  -1.306  -5.103  -2.896
  342    HB2  GLU  58           HB2      GLU  58   0.561  -7.118  -3.926
  343    HB3  GLU  58           HB1      GLU  58   1.279  -5.609  -3.414
  344    HG2  GLU  58           HG2      GLU  58   1.357  -6.763  -1.464
  345    HG3  GLU  58           HG1      GLU  58  -0.216  -5.977  -1.305
  346    H    CYS  59           HN       CYS  59  -1.021  -3.125  -3.233
  347    HA   CYS  59           HA       CYS  59  -0.208  -2.091  -5.825
  348    HB2  CYS  59           HB2      CYS  59  -0.916  -0.595  -3.287
  349    HB3  CYS  59           HB1      CYS  59  -0.754   0.100  -4.897
  350    HG   CYS  59           HG       CYS  59  -2.920  -2.208  -5.315
  351    H    ILE  60           HN       ILE  60   1.923  -2.337  -6.138
  352    HA   ILE  60           HA       ILE  60   3.797  -2.104  -3.959
  353    HB   ILE  60           HB       ILE  60   4.212  -2.602  -6.910
  354   HG12  ILE  60          HG12      ILE  60   2.961  -4.367  -5.663
  355   HG13  ILE  60          HG11      ILE  60   4.488  -4.916  -6.346
  356   HG21  ILE  60          HG21      ILE  60   6.466  -3.303  -6.310
  357   HG22  ILE  60          HG22      ILE  60   6.163  -2.825  -4.640
  358   HG23  ILE  60          HG23      ILE  60   6.179  -1.609  -5.916
  359   HD11  ILE  60          HD11      ILE  60   4.132  -5.780  -4.105
  360   HD12  ILE  60          HD12      ILE  60   4.031  -4.130  -3.489
  361   HD13  ILE  60          HD13      ILE  60   5.539  -4.721  -4.178
  362    H    GLY  61           HN       GLY  61   4.766  -0.293  -3.386
  363    HA2  GLY  61           HA2      GLY  61   4.496   2.100  -4.996
  364    HA3  GLY  61           HA1      GLY  61   5.214   1.990  -3.394
  365    H    GLU  62           HN       GLU  62   6.675   3.540  -4.697
  366    HA   GLU  62           HA       GLU  62   8.563   2.189  -6.430
  367    HB2  GLU  62           HB2      GLU  62   9.550   4.403  -6.738
  368    HB3  GLU  62           HB1      GLU  62   7.816   4.426  -7.039
  369    HG2  GLU  62           HG2      GLU  62   7.411   5.373  -4.880
  370    HG3  GLU  62           HG1      GLU  62   9.118   5.237  -4.475
  371    HA   PRO  63           HA       PRO  63  11.686   1.217  -3.428
  372    HB2  PRO  63           HB2      PRO  63  13.543   2.543  -5.350
  373    HB3  PRO  63           HB1      PRO  63  13.654   0.945  -4.603
  374    HG2  PRO  63           HG2      PRO  63  12.922   1.209  -7.151
  375    HG3  PRO  63           HG1      PRO  63  12.162  -0.004  -6.105
  376    HD2  PRO  63           HD2      PRO  63  11.091   2.606  -7.067
  377    HD3  PRO  63           HD1      PRO  63  10.244   1.079  -6.757
  378    H    MET  64           HN       MET  64  11.598   2.472  -1.647
  379    HA   MET  64           HA       MET  64  12.223   5.332  -1.922
  380    HB2  MET  64           HB2      MET  64  10.405   3.800  -0.092
  381    HB3  MET  64           HB1      MET  64  11.013   5.380   0.383
  382    HG2  MET  64           HG2      MET  64   9.467   4.812  -2.135
  383    HG3  MET  64           HG1      MET  64   8.785   5.470  -0.648
  384    HE1  MET  64           HE1      MET  64   7.830   7.677  -1.694
  385    HE2  MET  64           HE2      MET  64   8.254   6.971  -3.254
  386    HE3  MET  64           HE3      MET  64   8.708   8.635  -2.886
  387    HA   PRO  65           HA       PRO  65  15.712   4.577   0.703
  388    HB2  PRO  65           HB2      PRO  65  16.458   7.096   1.180
  389    HB3  PRO  65           HB1      PRO  65  16.557   6.405  -0.446
  390    HG2  PRO  65           HG2      PRO  65  14.493   8.233   0.715
  391    HG3  PRO  65           HG1      PRO  65  15.246   8.271  -0.889
  392    HD2  PRO  65           HD2      PRO  65  12.763   7.189  -0.349
  393    HD3  PRO  65           HD1      PRO  65  13.773   6.747  -1.738
  394    H    SER  66           HN       SER  66  12.769   5.369   1.881
  395    HA   SER  66           HA       SER  66  13.679   5.162   4.613
  396    HB2  SER  66           HB2      SER  66  11.936   7.476   3.715
  397    HB3  SER  66           HB1      SER  66  12.403   7.117   5.373
  398    HG   SER  66           HG       SER  66  14.642   7.225   4.059
  399    H    VAL  67           HN       VAL  67  12.160   4.152   5.906
  400    HA   VAL  67           HA       VAL  67  10.299   2.539   4.481
  401    HB   VAL  67           HB       VAL  67   9.659   1.657   6.737
  402   HG11  VAL  67          HG11      VAL  67  12.603   1.756   6.111
  403   HG12  VAL  67          HG12      VAL  67  11.430   0.622   5.441
  404   HG13  VAL  67          HG13      VAL  67  11.817   0.578   7.161
  405   HG21  VAL  67          HG21      VAL  67  10.076   3.711   8.022
  406   HG22  VAL  67          HG22      VAL  67  11.805   3.536   7.716
  407   HG23  VAL  67          HG23      VAL  67  10.954   2.329   8.679
  408    H    LYS  68           HN       LYS  68   9.985   5.522   6.232
  409    HA   LYS  68           HA       LYS  68   7.186   5.276   6.746
  410    HB2  LYS  68           HB2      LYS  68   8.990   7.698   6.706
  411    HB3  LYS  68           HB1      LYS  68   7.304   7.732   7.203
  412    HG2  LYS  68           HG2      LYS  68   7.847   6.106   8.988
  413    HG3  LYS  68           HG1      LYS  68   9.546   6.226   8.527
  414    HD2  LYS  68           HD2      LYS  68   9.487   8.639   8.987
  415    HD3  LYS  68           HD1      LYS  68   7.800   8.492   9.481
  416    HE2  LYS  68           HE2      LYS  68  10.168   7.163  10.788
  417    HE3  LYS  68           HE1      LYS  68   9.265   8.537  11.420
  418    HZ1  LYS  68           HZ1      LYS  68   8.576   6.491  12.474
  419    HZ2  LYS  68           HZ2      LYS  68   8.187   5.808  10.979
  420    HZ3  LYS  68           HZ3      LYS  68   7.302   7.124  11.560
  421    H    LYS  69           HN       LYS  69   9.111   6.782   4.186
  422    HA   LYS  69           HA       LYS  69   6.736   7.792   2.903
  423    HB2  LYS  69           HB2      LYS  69   8.191   8.715   1.208
  424    HB3  LYS  69           HB1      LYS  69   8.793   9.118   2.808
  425    HG2  LYS  69           HG2      LYS  69  10.285   7.020   2.467
  426    HG3  LYS  69           HG1      LYS  69   9.923   7.281   0.759
  427    HD2  LYS  69           HD2      LYS  69  11.227   9.224   2.668
  428    HD3  LYS  69           HD1      LYS  69  11.975   8.428   1.286
  429    HE2  LYS  69           HE2      LYS  69   9.597  10.226   0.950
  430    HE3  LYS  69           HE1      LYS  69  11.226  10.882   1.049
  431    HZ1  LYS  69           HZ1      LYS  69  11.856   9.650  -0.881
  432    HZ2  LYS  69           HZ2      LYS  69  10.446  10.506  -1.242
  433    HZ3  LYS  69           HZ3      LYS  69  10.370   8.846  -0.933
  434    H    ALA  70           HN       ALA  70   8.610   4.933   2.858
  435    HA   ALA  70           HA       ALA  70   8.049   3.898   0.348
  436    HB1  ALA  70           HB1      ALA  70   9.578   2.845   1.952
  437    HB2  ALA  70           HB2      ALA  70   8.383   1.700   1.340
  438    HB3  ALA  70           HB3      ALA  70   8.201   2.386   2.955
  439    H    LYS  71           HN       LYS  71   6.217   3.125   3.333
  440    HA   LYS  71           HA       LYS  71   4.072   1.956   2.100
  441    HB2  LYS  71           HB2      LYS  71   2.812   2.440   4.164
  442    HB3  LYS  71           HB1      LYS  71   4.374   1.705   4.454
  443    HG2  LYS  71           HG2      LYS  71   4.585   3.322   5.982
  444    HG3  LYS  71           HG1      LYS  71   4.997   4.301   4.576
  445    HD2  LYS  71           HD2      LYS  71   3.385   5.520   5.855
  446    HD3  LYS  71           HD1      LYS  71   2.596   4.945   4.389
  447    HE2  LYS  71           HE2      LYS  71   1.092   4.599   6.208
  448    HE3  LYS  71           HE1      LYS  71   1.704   3.024   5.717
  449    HZ1  LYS  71           HZ1      LYS  71   1.663   3.263   8.120
  450    HZ2  LYS  71           HZ2      LYS  71   2.684   4.607   8.030
  451    HZ3  LYS  71           HZ3      LYS  71   3.250   3.084   7.567
  452    H    ASP  72           HN       ASP  72   4.516   5.336   2.962
  453    HA   ASP  72           HA       ASP  72   2.128   6.413   2.166
  454    HB2  ASP  72           HB2      ASP  72   3.871   7.709   3.255
  455    HB3  ASP  72           HB1      ASP  72   4.894   7.578   1.829
  456    H    SER  73           HN       SER  73   4.949   5.754   0.061
  457    HA   SER  73           HA       SER  73   3.850   6.847  -2.276
  458    HB2  SER  73           HB2      SER  73   6.229   6.381  -2.065
  459    HB3  SER  73           HB1      SER  73   5.907   4.655  -1.909
  460    HG   SER  73           HG       SER  73   5.312   6.252  -4.186
  461    H    ALA  74           HN       ALA  74   3.772   3.550  -0.974
  462    HA   ALA  74           HA       ALA  74   2.474   2.441  -3.260
  463    HB1  ALA  74           HB1      ALA  74   2.198   0.465  -1.912
  464    HB2  ALA  74           HB2      ALA  74   2.540   1.374  -0.438
  465    HB3  ALA  74           HB3      ALA  74   3.810   1.126  -1.639
  466    H    ALA  75           HN       ALA  75   1.410   3.631  -0.142
  467    HA   ALA  75           HA       ALA  75  -1.307   3.102  -0.265
  468    HB1  ALA  75           HB1      ALA  75   0.023   5.498   0.988
  469    HB2  ALA  75           HB2      ALA  75  -0.188   3.918   1.744
  470    HB3  ALA  75           HB3      ALA  75  -1.598   4.902   1.346
  471    H    VAL  76           HN       VAL  76   0.492   5.788  -1.769
  472    HA   VAL  76           HA       VAL  76  -1.853   7.268  -2.418
  473    HB   VAL  76           HB       VAL  76   0.591   8.106  -2.264
  474   HG11  VAL  76          HG11      VAL  76   1.541   6.650  -3.930
  475   HG12  VAL  76          HG12      VAL  76   1.699   8.336  -4.425
  476   HG13  VAL  76          HG13      VAL  76   0.459   7.312  -5.151
  477   HG21  VAL  76          HG21      VAL  76   0.053   9.998  -3.722
  478   HG22  VAL  76          HG22      VAL  76  -1.320   9.533  -2.719
  479   HG23  VAL  76          HG23      VAL  76  -1.274   9.072  -4.421
  480    H    LEU  77           HN       LEU  77  -0.072   4.726  -3.940
  481    HA   LEU  77           HA       LEU  77  -1.449   4.882  -6.460
  482    HB2  LEU  77           HB2      LEU  77   0.080   2.579  -5.238
  483    HB3  LEU  77           HB1      LEU  77  -0.374   2.747  -6.918
  484    HG   LEU  77           HG       LEU  77   1.554   4.554  -5.467
  485   HD11  LEU  77          HD11      LEU  77   2.069   2.370  -7.474
  486   HD12  LEU  77          HD12      LEU  77   2.446   2.304  -5.753
  487   HD13  LEU  77          HD13      LEU  77   3.276   3.461  -6.794
  488   HD21  LEU  77          HD21      LEU  77   0.392   5.697  -7.269
  489   HD22  LEU  77          HD22      LEU  77   0.795   4.389  -8.380
  490   HD23  LEU  77          HD23      LEU  77   2.074   5.400  -7.708
  491    H    LEU  78           HN       LEU  78  -1.779   3.236  -3.422
  492    HA   LEU  78           HA       LEU  78  -3.888   1.480  -4.061
  493    HB2  LEU  78           HB2      LEU  78  -2.560   1.203  -2.082
  494    HB3  LEU  78           HB1      LEU  78  -3.015   2.789  -1.503
  495    HG   LEU  78           HG       LEU  78  -5.392   1.914  -1.370
  496   HD11  LEU  78          HD11      LEU  78  -5.054  -0.047  -2.810
  497   HD12  LEU  78          HD12      LEU  78  -5.667  -0.491  -1.218
  498   HD13  LEU  78          HD13      LEU  78  -3.964  -0.733  -1.605
  499   HD21  LEU  78          HD21      LEU  78  -3.361   0.567   0.397
  500   HD22  LEU  78          HD22      LEU  78  -5.017   1.020   0.814
  501   HD23  LEU  78          HD23      LEU  78  -3.798   2.269   0.527
  502    H    LEU  79           HN       LEU  79  -3.786   4.822  -2.951
  503    HA   LEU  79           HA       LEU  79  -6.534   5.228  -2.598
  504    HB2  LEU  79           HB2      LEU  79  -4.166   6.932  -3.012
  505    HB3  LEU  79           HB1      LEU  79  -5.693   7.656  -3.466
  506    HG   LEU  79           HG       LEU  79  -5.013   8.231  -1.165
  507   HD11  LEU  79          HD11      LEU  79  -7.380   8.209  -1.775
  508   HD12  LEU  79          HD12      LEU  79  -7.141   7.739  -0.092
  509   HD13  LEU  79          HD13      LEU  79  -7.486   6.511  -1.310
  510   HD21  LEU  79          HD21      LEU  79  -5.036   6.564   0.587
  511   HD22  LEU  79          HD22      LEU  79  -3.850   6.121  -0.645
  512   HD23  LEU  79          HD23      LEU  79  -5.410   5.300  -0.584
  513    H    GLU  80           HN       GLU  80  -4.615   4.993  -5.484
  514    HA   GLU  80           HA       GLU  80  -6.544   6.089  -7.272
  515    HB2  GLU  80           HB2      GLU  80  -4.339   4.088  -7.801
  516    HB3  GLU  80           HB1      GLU  80  -5.223   4.997  -9.024
  517    HG2  GLU  80           HG2      GLU  80  -4.328   7.087  -8.028
  518    HG3  GLU  80           HG1      GLU  80  -3.352   6.101  -6.942
  519    H    LEU  81           HN       LEU  81  -5.836   2.898  -6.003
  520    HA   LEU  81           HA       LEU  81  -7.636   1.401  -7.577
  521    HB2  LEU  81           HB2      LEU  81  -5.745   0.807  -5.751
  522    HB3  LEU  81           HB1      LEU  81  -7.174   0.644  -4.757
  523    HG   LEU  81           HG       LEU  81  -6.703  -0.845  -7.327
  524   HD11  LEU  81          HD11      LEU  81  -6.460  -1.798  -4.477
  525   HD12  LEU  81          HD12      LEU  81  -5.115  -1.493  -5.576
  526   HD13  LEU  81          HD13      LEU  81  -6.265  -2.785  -5.926
  527   HD21  LEU  81          HD21      LEU  81  -8.807  -1.194  -5.193
  528   HD22  LEU  81          HD22      LEU  81  -8.590  -2.226  -6.606
  529   HD23  LEU  81          HD23      LEU  81  -9.070  -0.541  -6.810
  530    H    LEU  82           HN       LEU  82  -7.891   2.922  -4.400
  531    HA   LEU  82           HA       LEU  82 -10.649   2.336  -4.019
  532    HB2  LEU  82           HB2      LEU  82  -8.539   3.898  -2.637
  533    HB3  LEU  82           HB1      LEU  82 -10.203   4.300  -2.266
  534    HG   LEU  82           HG       LEU  82 -10.629   2.205  -1.323
  535   HD11  LEU  82          HD11      LEU  82  -9.668   0.797  -3.062
  536   HD12  LEU  82          HD12      LEU  82  -9.149   0.277  -1.459
  537   HD13  LEU  82          HD13      LEU  82  -8.046   1.190  -2.490
  538   HD21  LEU  82          HD21      LEU  82  -7.792   2.922  -0.616
  539   HD22  LEU  82          HD22      LEU  82  -8.864   1.908   0.349
  540   HD23  LEU  82          HD23      LEU  82  -9.250   3.609   0.096
  541    H    ASN  83           HN       ASN  83  -9.226   4.386  -6.133
  542    HA   ASN  83           HA       ASN  83 -11.333   6.419  -6.001
  543    HB2  ASN  83           HB2      ASN  83  -8.994   7.162  -6.364
  544    HB3  ASN  83           HB1      ASN  83  -8.932   6.205  -7.839
  545   HD21  ASN  83          HD21      ASN  83  -8.547   7.916  -9.177
  546   HD22  ASN  83          HD22      ASN  83  -9.723   9.139  -9.511
  547    H    LYS  84           HN       LYS  84 -10.629   3.483  -7.390
  548    HA   LYS  84           HA       LYS  84 -12.487   3.913  -9.616
  549    HB2  LYS  84           HB2      LYS  84 -10.181   1.962  -9.558
  550    HB3  LYS  84           HB1      LYS  84 -11.199   2.355 -10.939
  551    HG2  LYS  84           HG2      LYS  84 -10.350   4.701 -10.775
  552    HG3  LYS  84           HG1      LYS  84  -9.207   4.137  -9.568
  553    HD2  LYS  84           HD2      LYS  84  -9.321   2.764 -12.213
  554    HD3  LYS  84           HD1      LYS  84  -8.503   4.319 -12.086
  555    HE2  LYS  84           HE2      LYS  84  -6.842   2.667 -11.783
  556    HE3  LYS  84           HE1      LYS  84  -7.171   3.333 -10.187
  557    HZ1  LYS  84           HZ1      LYS  84  -6.994   0.950 -10.086
  558    HZ2  LYS  84           HZ2      LYS  84  -8.194   0.762 -11.258
  559    HZ3  LYS  84           HZ3      LYS  84  -8.589   1.401  -9.747
  560    H    THR  85           HN       THR  85 -13.416   3.255  -7.151
  561    HA   THR  85           HA       THR  85 -13.814   0.368  -7.093
  562    HB   THR  85           HB       THR  85 -15.181   1.065  -4.968
  563    HG1  THR  85           HG1      THR  85 -15.138   3.299  -5.304
  564   HG21  THR  85          HG21      THR  85 -13.111   1.028  -3.629
  565   HG22  THR  85          HG22      THR  85 -12.170   1.278  -5.101
  566   HG23  THR  85          HG23      THR  85 -13.105  -0.204  -4.893
  Start of MODEL    3
    1    H1   ASN  15           HT1      ASN  15  -5.309   5.901   5.512
    2    H2   ASN  15           HT2      ASN  15  -5.922   5.190   4.106
    3    H3   ASN  15           HT3      ASN  15  -4.583   4.513   4.882
    4    HA   ASN  15           HA       ASN  15  -6.546   3.219   5.328
    5    HB2  ASN  15           HB2      ASN  15  -5.407   4.768   7.660
    6    HB3  ASN  15           HB1      ASN  15  -6.466   3.372   7.851
    7   HD21  ASN  15          HD21      ASN  15  -3.711   3.691   8.699
    8   HD22  ASN  15          HD22      ASN  15  -2.815   2.442   7.905
    9    H    ASP  16           HN       ASP  16  -7.063   6.617   5.515
   10    HA   ASP  16           HA       ASP  16  -9.407   6.539   7.130
   11    HB2  ASP  16           HB2      ASP  16  -9.746   8.872   6.373
   12    HB3  ASP  16           HB1      ASP  16  -8.125   8.584   6.989
   13    H    ILE  17           HN       ILE  17  -8.851   6.524   3.623
   14    HA   ILE  17           HA       ILE  17 -11.546   6.564   2.858
   15    HB   ILE  17           HB       ILE  17  -9.150   5.348   1.487
   16   HG12  ILE  17          HG12      ILE  17  -9.664   7.263  -0.123
   17   HG13  ILE  17          HG11      ILE  17 -10.746   7.874   1.118
   18   HG21  ILE  17          HG21      ILE  17 -11.080   4.089   0.770
   19   HG22  ILE  17          HG22      ILE  17 -10.561   5.165  -0.528
   20   HG23  ILE  17          HG23      ILE  17 -11.967   5.578   0.451
   21   HD11  ILE  17          HD11      ILE  17  -7.798   7.425   1.442
   22   HD12  ILE  17          HD12      ILE  17  -8.903   8.064   2.661
   23   HD13  ILE  17          HD13      ILE  17  -8.593   8.979   1.185
   24    H    CYS  18           HN       CYS  18  -9.392   3.956   3.753
   25    HA   CYS  18           HA       CYS  18 -11.077   1.780   3.135
   26    HB2  CYS  18           HB2      CYS  18  -8.961   1.841   5.289
   27    HB3  CYS  18           HB1      CYS  18  -9.482   0.460   4.334
   28    HG   CYS  18           HG       CYS  18  -8.000   0.874   2.225
   29    H    LEU  19           HN       LEU  19 -10.488   3.637   6.048
   30    HA   LEU  19           HA       LEU  19 -12.071   2.194   7.854
   31    HB2  LEU  19           HB2      LEU  19 -10.384   3.952   8.368
   32    HB3  LEU  19           HB1      LEU  19 -11.521   5.155   7.814
   33    HG   LEU  19           HG       LEU  19 -13.084   4.450   9.620
   34   HD11  LEU  19          HD11      LEU  19 -10.730   2.799  10.531
   35   HD12  LEU  19          HD12      LEU  19 -12.277   2.179   9.954
   36   HD13  LEU  19          HD13      LEU  19 -12.201   3.095  11.459
   37   HD21  LEU  19          HD21      LEU  19 -11.652   6.382   9.910
   38   HD22  LEU  19          HD22      LEU  19 -10.335   5.352  10.468
   39   HD23  LEU  19          HD23      LEU  19 -11.802   5.507  11.434
   40    H    ARG  20           HN       ARG  20 -12.790   5.127   5.987
   41    HA   ARG  20           HA       ARG  20 -15.459   5.468   6.681
   42    HB2  ARG  20           HB2      ARG  20 -14.184   7.144   5.478
   43    HB3  ARG  20           HB1      ARG  20 -14.055   6.090   4.083
   44    HG2  ARG  20           HG2      ARG  20 -16.529   6.175   3.858
   45    HG3  ARG  20           HG1      ARG  20 -16.558   7.369   5.158
   46    HD2  ARG  20           HD2      ARG  20 -15.286   8.915   3.866
   47    HD3  ARG  20           HD1      ARG  20 -14.962   7.703   2.628
   48    HE   ARG  20           HE       ARG  20 -17.747   8.444   3.117
   49   HH11  ARG  20          HH11      ARG  20 -14.892   8.711   1.120
   50   HH12  ARG  20          HH12      ARG  20 -15.757   9.254  -0.279
   51   HH21  ARG  20          HH21      ARG  20 -18.899   9.172   1.278
   52   HH22  ARG  20          HH22      ARG  20 -18.039   9.518  -0.189
   53    H    LYS  21           HN       LYS  21 -14.027   3.405   4.233
   54    HA   LYS  21           HA       LYS  21 -16.468   2.761   2.913
   55    HB2  LYS  21           HB2      LYS  21 -13.642   1.989   2.741
   56    HB3  LYS  21           HB1      LYS  21 -14.771   0.727   2.268
   57    HG2  LYS  21           HG2      LYS  21 -14.661   3.509   1.125
   58    HG3  LYS  21           HG1      LYS  21 -14.048   2.041   0.359
   59    HD2  LYS  21           HD2      LYS  21 -16.352   1.099   0.503
   60    HD3  LYS  21           HD1      LYS  21 -16.899   2.681   1.060
   61    HE2  LYS  21           HE2      LYS  21 -17.294   2.456  -1.322
   62    HE3  LYS  21           HE1      LYS  21 -16.051   3.673  -1.040
   63    HZ1  LYS  21           HZ1      LYS  21 -15.410   2.247  -2.855
   64    HZ2  LYS  21           HZ2      LYS  21 -15.610   0.867  -1.897
   65    HZ3  LYS  21           HZ3      LYS  21 -14.379   1.967  -1.540
   66    H    ASN  22           HN       ASN  22 -15.545   2.048   5.881
   67    HA   ASN  22           HA       ASN  22 -16.204   0.608   7.493
   68    HB2  ASN  22           HB2      ASN  22 -18.442   0.957   6.413
   69    HB3  ASN  22           HB1      ASN  22 -18.149  -0.475   5.439
   70   HD21  ASN  22          HD21      ASN  22 -18.535  -2.450   6.299
   71   HD22  ASN  22          HD22      ASN  22 -19.115  -2.713   7.907
   72    H    TRP  23           HN       TRP  23 -14.057   0.021   5.694
   73    HA   TRP  23           HA       TRP  23 -14.037  -2.910   5.650
   74    HB2  TRP  23           HB2      TRP  23 -12.030  -0.903   4.593
   75    HB3  TRP  23           HB1      TRP  23 -11.879  -2.645   4.451
   76    HD1  TRP  23           HD1      TRP  23 -15.091  -2.963   3.566
   77    HE1  TRP  23           HE1      TRP  23 -15.645  -2.406   1.097
   78    HE3  TRP  23           HE3      TRP  23 -10.988  -0.159   2.466
   79    HZ2  TRP  23           HZ2      TRP  23 -14.427  -0.961  -1.039
   80    HZ3  TRP  23           HZ3      TRP  23 -10.745   0.768   0.214
   81    HH2  TRP  23           HH2      TRP  23 -12.434   0.380  -1.506
   82    HA   PRO  24           HA       PRO  24 -11.219  -2.984   9.157
   83    HB2  PRO  24           HB2      PRO  24  -9.677  -5.108   8.540
   84    HB3  PRO  24           HB1      PRO  24 -11.345  -5.293   9.092
   85    HG2  PRO  24           HG2      PRO  24 -10.252  -5.362   6.313
   86    HG3  PRO  24           HG1      PRO  24 -11.449  -6.428   7.067
   87    HD2  PRO  24           HD2      PRO  24 -12.135  -4.384   5.421
   88    HD3  PRO  24           HD1      PRO  24 -13.170  -4.916   6.759
   89    H    MET  25           HN       MET  25  -8.746  -2.988   9.517
   90    HA   MET  25           HA       MET  25  -7.738  -0.911   7.861
   91    HB2  MET  25           HB2      MET  25  -6.192  -2.443   9.935
   92    HB3  MET  25           HB1      MET  25  -5.948  -0.782   9.408
   93    HG2  MET  25           HG2      MET  25  -8.193  -1.869  11.058
   94    HG3  MET  25           HG1      MET  25  -6.970  -0.728  11.544
   95    HE1  MET  25           HE1      MET  25  -7.999   2.402   9.391
   96    HE2  MET  25           HE2      MET  25  -6.887   1.105   8.937
   97    HE3  MET  25           HE3      MET  25  -6.850   1.761  10.571
   98    HA   PRO  26           HA       PRO  26  -5.819  -3.387   4.769
   99    HB2  PRO  26           HB2      PRO  26  -3.924  -1.167   4.445
  100    HB3  PRO  26           HB1      PRO  26  -5.067  -1.843   3.286
  101    HG2  PRO  26           HG2      PRO  26  -5.455   0.562   4.408
  102    HG3  PRO  26           HG1      PRO  26  -6.805  -0.523   4.025
  103    HD2  PRO  26           HD2      PRO  26  -5.515   0.043   6.660
  104    HD3  PRO  26           HD1      PRO  26  -7.228  -0.205   6.266
  105    H    SER  27           HN       SER  27  -3.850  -4.339   4.189
  106    HA   SER  27           HA       SER  27  -2.074  -4.810   6.440
  107    HB2  SER  27           HB2      SER  27  -2.997  -6.657   4.992
  108    HB3  SER  27           HB1      SER  27  -2.006  -6.036   3.685
  109    HG   SER  27           HG       SER  27  -0.901  -6.754   6.190
  110    H    TYR  28           HN       TYR  28   0.131  -4.345   6.456
  111    HA   TYR  28           HA       TYR  28   1.229  -2.898   4.198
  112    HB2  TYR  28           HB2      TYR  28   1.037  -1.816   7.012
  113    HB3  TYR  28           HB1      TYR  28   2.222  -1.226   5.857
  114    HD1  TYR  28           HD2      TYR  28  -1.345  -1.306   6.734
  115    HD2  TYR  28           HD1      TYR  28   1.553   0.171   3.988
  116    HE1  TYR  28           HE2      TYR  28  -2.981   0.322   5.882
  117    HE2  TYR  28           HE1      TYR  28  -0.068   1.802   3.142
  118    HH   TYR  28           HH       TYR  28  -2.584   2.001   3.019
  119    H    ARG  29           HN       ARG  29   3.040  -4.092   3.742
  120    HA   ARG  29           HA       ARG  29   4.882  -4.781   5.842
  121    HB2  ARG  29           HB2      ARG  29   3.325  -6.667   5.943
  122    HB3  ARG  29           HB1      ARG  29   3.521  -6.924   4.219
  123    HG2  ARG  29           HG2      ARG  29   5.891  -7.447   4.571
  124    HG3  ARG  29           HG1      ARG  29   5.662  -7.229   6.306
  125    HD2  ARG  29           HD2      ARG  29   4.176  -9.235   4.626
  126    HD3  ARG  29           HD1      ARG  29   5.612  -9.600   5.574
  127    HE   ARG  29           HE       ARG  29   3.434  -8.419   7.065
  128   HH11  ARG  29          HH11      ARG  29   4.968 -11.368   5.977
  129   HH12  ARG  29          HH12      ARG  29   4.245 -12.354   7.207
  130   HH21  ARG  29          HH21      ARG  29   2.481  -9.721   8.699
  131   HH22  ARG  29          HH22      ARG  29   2.840 -11.416   8.755
  132    H    CYS  30           HN       CYS  30   6.861  -4.459   5.061
  133    HA   CYS  30           HA       CYS  30   7.292  -3.649   2.412
  134    HB2  CYS  30           HB2      CYS  30   9.329  -4.560   4.445
  135    HB3  CYS  30           HB1      CYS  30   9.668  -3.616   3.000
  136    HG   CYS  30           HG       CYS  30   9.806  -1.989   5.301
  137    H    VAL  31           HN       VAL  31   7.649  -4.723   0.616
  138    HA   VAL  31           HA       VAL  31   7.738  -7.606   0.649
  139    HB   VAL  31           HB       VAL  31   7.858  -5.706  -1.705
  140   HG11  VAL  31          HG11      VAL  31   7.162  -7.631  -3.039
  141   HG12  VAL  31          HG12      VAL  31   7.226  -8.653  -1.605
  142   HG13  VAL  31          HG13      VAL  31   8.704  -7.933  -2.239
  143   HG21  VAL  31          HG21      VAL  31   5.464  -6.218  -1.974
  144   HG22  VAL  31          HG22      VAL  31   5.810  -5.382  -0.460
  145   HG23  VAL  31          HG23      VAL  31   5.506  -7.119  -0.458
  146    H    LYS  32           HN       LYS  32   9.895  -4.919   0.113
  147    HA   LYS  32           HA       LYS  32  12.116  -6.825  -0.005
  148    HB2  LYS  32           HB2      LYS  32  11.703  -5.996  -2.280
  149    HB3  LYS  32           HB1      LYS  32  11.851  -4.342  -1.710
  150    HG2  LYS  32           HG2      LYS  32  13.881  -5.083  -2.823
  151    HG3  LYS  32           HG1      LYS  32  14.178  -4.739  -1.119
  152    HD2  LYS  32           HD2      LYS  32  14.062  -7.113  -0.606
  153    HD3  LYS  32           HD1      LYS  32  13.715  -7.478  -2.296
  154    HE2  LYS  32           HE2      LYS  32  15.893  -6.603  -2.943
  155    HE3  LYS  32           HE1      LYS  32  16.232  -6.176  -1.267
  156    HZ1  LYS  32           HZ1      LYS  32  17.277  -8.265  -1.901
  157    HZ2  LYS  32           HZ2      LYS  32  15.768  -8.930  -2.270
  158    HZ3  LYS  32           HZ3      LYS  32  16.136  -8.504  -0.675
  159    H    GLU  33           HN       GLU  33  13.616  -6.424   1.377
  160    HA   GLU  33           HA       GLU  33  13.529  -3.977   2.982
  161    HB2  GLU  33           HB2      GLU  33  13.482  -6.278   4.026
  162    HB3  GLU  33           HB1      GLU  33  15.126  -6.503   3.451
  163    HG2  GLU  33           HG2      GLU  33  15.277  -5.875   5.716
  164    HG3  GLU  33           HG1      GLU  33  15.756  -4.466   4.769
  165    H    GLY  34           HN       GLY  34  15.495  -2.831   3.489
  166    HA2  GLY  34           HA2      GLY  34  17.160  -2.497   1.195
  167    HA3  GLY  34           HA1      GLY  34  17.280  -1.637   2.720
  168    H    GLY  35           HN       GLY  35  19.176  -3.119   0.823
  169    HA2  GLY  35           HA2      GLY  35  20.302  -5.229   2.420
  170    HA3  GLY  35           HA1      GLY  35  20.971  -4.553   0.949
  171    HA   PRO  36           HA       PRO  36  24.187  -3.568   4.018
  172    HB2  PRO  36           HB2      PRO  36  25.215  -2.528   1.402
  173    HB3  PRO  36           HB1      PRO  36  26.067  -3.426   2.660
  174    HG2  PRO  36           HG2      PRO  36  25.276  -4.673   0.473
  175    HG3  PRO  36           HG1      PRO  36  25.094  -5.454   2.055
  176    HD2  PRO  36           HD2      PRO  36  23.031  -4.174   0.326
  177    HD3  PRO  36           HD1      PRO  36  22.887  -5.589   1.387
  178    H    ALA  37           HN       ALA  37  23.942  -1.227   1.350
  179    HA   ALA  37           HA       ALA  37  22.570   0.740   2.887
  180    HB1  ALA  37           HB1      ALA  37  24.292   2.408   3.093
  181    HB2  ALA  37           HB2      ALA  37  25.463   1.363   2.292
  182    HB3  ALA  37           HB3      ALA  37  24.843   0.931   3.884
  183    H    HIS  38           HN       HIS  38  24.734   0.112   0.168
  184    HA   HIS  38           HA       HIS  38  23.655   2.137  -1.515
  185    HB2  HIS  38           HB2      HIS  38  24.867   0.991  -3.338
  186    HB3  HIS  38           HB1      HIS  38  25.886   1.251  -1.930
  187    HD1  HIS  38           HD1      HIS  38  26.996  -0.775  -0.929
  188    HD2  HIS  38           HD2      HIS  38  24.051  -1.762  -3.694
  189    HE1  HIS  38           HE1      HIS  38  27.176  -3.257  -1.251
  190    HE2  HIS  38           HE2      HIS  38  25.270  -3.853  -2.782
  191    H    ALA  39           HN       ALA  39  22.059  -0.327  -0.286
  192    HA   ALA  39           HA       ALA  39  20.211  -0.474  -2.532
  193    HB1  ALA  39           HB1      ALA  39  19.996  -2.901  -2.361
  194    HB2  ALA  39           HB2      ALA  39  21.263  -2.935  -1.135
  195    HB3  ALA  39           HB3      ALA  39  21.646  -2.445  -2.786
  196    H    LYS  40           HN       LYS  40  20.238   0.859   0.055
  197    HA   LYS  40           HA       LYS  40  18.461  -0.653   1.742
  198    HB2  LYS  40           HB2      LYS  40  20.301   1.075   2.459
  199    HB3  LYS  40           HB1      LYS  40  18.991   2.225   2.243
  200    HG2  LYS  40           HG2      LYS  40  18.981   1.630   4.522
  201    HG3  LYS  40           HG1      LYS  40  17.614   0.812   3.778
  202    HD2  LYS  40           HD2      LYS  40  18.950  -1.244   3.627
  203    HD3  LYS  40           HD1      LYS  40  20.292  -0.416   4.412
  204    HE2  LYS  40           HE2      LYS  40  18.940  -0.067   6.399
  205    HE3  LYS  40           HE1      LYS  40  17.559  -0.824   5.610
  206    HZ1  LYS  40           HZ1      LYS  40  18.862  -2.884   5.468
  207    HZ2  LYS  40           HZ2      LYS  40  18.619  -2.383   7.065
  208    HZ3  LYS  40           HZ3      LYS  40  20.120  -2.142   6.324
  209    H    ARG  41           HN       ARG  41  17.656   0.412  -0.998
  210    HA   ARG  41           HA       ARG  41  15.391   2.060  -0.242
  211    HB2  ARG  41           HB2      ARG  41  14.697   1.866  -2.624
  212    HB3  ARG  41           HB1      ARG  41  16.284   2.570  -2.396
  213    HG2  ARG  41           HG2      ARG  41  17.290   0.382  -2.967
  214    HG3  ARG  41           HG1      ARG  41  15.666  -0.237  -3.286
  215    HD2  ARG  41           HD2      ARG  41  15.359   1.547  -4.968
  216    HD3  ARG  41           HD1      ARG  41  17.021   2.060  -4.690
  217    HE   ARG  41           HE       ARG  41  16.818  -0.706  -5.405
  218   HH11  ARG  41          HH11      ARG  41  16.938   2.563  -6.658
  219   HH12  ARG  41          HH12      ARG  41  17.518   2.079  -8.221
  220   HH21  ARG  41          HH21      ARG  41  17.580  -1.347  -7.470
  221   HH22  ARG  41          HH22      ARG  41  17.888  -0.137  -8.679
  222    H    PHE  42           HN       PHE  42  13.368   1.432  -0.014
  223    HA   PHE  42           HA       PHE  42  12.972  -1.476   0.233
  224    HB2  PHE  42           HB2      PHE  42  11.257   0.551   1.639
  225    HB3  PHE  42           HB1      PHE  42  11.590  -1.118   2.088
  226    HD1  PHE  42           HD1      PHE  42  14.343  -1.448   2.366
  227    HD2  PHE  42           HD2      PHE  42  12.065   2.069   3.110
  228    HE1  PHE  42           HE1      PHE  42  16.087  -0.639   3.903
  229    HE2  PHE  42           HE2      PHE  42  13.790   2.869   4.648
  230    HZ   PHE  42           HZ       PHE  42  15.806   1.516   5.056
  231    H    THR  43           HN       THR  43  11.285  -2.429  -0.699
  232    HA   THR  43           HA       THR  43   9.435  -0.752  -2.258
  233    HB   THR  43           HB       THR  43  10.441  -3.532  -2.939
  234    HG1  THR  43           HG1      THR  43  11.596  -2.451  -4.596
  235   HG21  THR  43          HG21      THR  43   8.722  -1.605  -4.498
  236   HG22  THR  43          HG22      THR  43   8.198  -3.124  -3.770
  237   HG23  THR  43          HG23      THR  43   9.350  -3.138  -5.107
  238    H    PHE  44           HN       PHE  44   7.227  -1.115  -1.726
  239    HA   PHE  44           HA       PHE  44   6.711  -3.439  -0.055
  240    HB2  PHE  44           HB2      PHE  44   6.804  -2.001   1.709
  241    HB3  PHE  44           HB1      PHE  44   6.656  -0.581   0.684
  242    HD1  PHE  44           HD2      PHE  44   4.664  -3.363   2.130
  243    HD2  PHE  44           HD1      PHE  44   4.713   0.626   0.674
  244    HE1  PHE  44           HE2      PHE  44   2.330  -3.078   2.835
  245    HE2  PHE  44           HE1      PHE  44   2.387   0.918   1.397
  246    HZ   PHE  44           HZ       PHE  44   1.200  -0.936   2.491
  247    H    GLY  45           HN       GLY  45   4.485  -4.065  -0.037
  248    HA2  GLY  45           HA2      GLY  45   2.866  -2.855  -2.185
  249    HA3  GLY  45           HA1      GLY  45   2.996  -4.599  -1.982
  250    H    VAL  46           HN       VAL  46   0.835  -2.354  -1.617
  251    HA   VAL  46           HA       VAL  46   0.021  -3.081   1.122
  252    HB   VAL  46           HB       VAL  46   0.438  -0.687   0.861
  253   HG11  VAL  46          HG11      VAL  46  -1.686  -0.746  -1.262
  254   HG12  VAL  46          HG12      VAL  46   0.034  -0.454  -1.511
  255   HG13  VAL  46          HG13      VAL  46  -0.932   0.702  -0.593
  256   HG21  VAL  46          HG21      VAL  46  -1.695   0.161   1.683
  257   HG22  VAL  46          HG22      VAL  46  -1.306  -1.399   2.406
  258   HG23  VAL  46          HG23      VAL  46  -2.500  -1.301   1.112
  259    H    ARG  47           HN       ARG  47  -2.230  -3.645   1.490
  260    HA   ARG  47           HA       ARG  47  -3.813  -4.112  -0.895
  261    HB2  ARG  47           HB2      ARG  47  -4.270  -6.453  -0.107
  262    HB3  ARG  47           HB1      ARG  47  -2.618  -6.206  -0.662
  263    HG2  ARG  47           HG2      ARG  47  -2.291  -5.702   1.931
  264    HG3  ARG  47           HG1      ARG  47  -3.664  -6.801   2.031
  265    HD2  ARG  47           HD2      ARG  47  -1.930  -8.296   2.124
  266    HD3  ARG  47           HD1      ARG  47  -2.204  -8.238   0.381
  267    HE   ARG  47           HE       ARG  47  -0.157  -6.566   1.684
  268   HH11  ARG  47          HH11      ARG  47  -1.069  -8.906  -0.760
  269   HH12  ARG  47          HH12      ARG  47   0.464  -8.828  -1.576
  270   HH21  ARG  47          HH21      ARG  47   1.839  -6.469   0.633
  271   HH22  ARG  47          HH22      ARG  47   2.123  -7.443  -0.782
  272    H    VAL  48           HN       VAL  48  -6.006  -4.141  -0.449
  273    HA   VAL  48           HA       VAL  48  -6.772  -3.605   2.361
  274    HB   VAL  48           HB       VAL  48  -7.934  -2.333  -0.115
  275   HG11  VAL  48          HG11      VAL  48  -9.183  -0.909   1.458
  276   HG12  VAL  48          HG12      VAL  48  -8.576  -1.891   2.793
  277   HG13  VAL  48          HG13      VAL  48  -9.630  -2.611   1.574
  278   HG21  VAL  48          HG21      VAL  48  -6.339  -1.023   2.070
  279   HG22  VAL  48          HG22      VAL  48  -6.922  -0.282   0.580
  280   HG23  VAL  48          HG23      VAL  48  -5.670  -1.524   0.519
  281    H    ASN  49           HN       ASN  49  -8.959  -4.271   2.933
  282    HA   ASN  49           HA       ASN  49  -9.800  -6.600   1.381
  283    HB2  ASN  49           HB2      ASN  49  -9.453  -6.845   3.838
  284    HB3  ASN  49           HB1      ASN  49 -10.763  -5.699   4.101
  285   HD21  ASN  49          HD21      ASN  49 -11.950  -7.257   5.236
  286   HD22  ASN  49          HD22      ASN  49 -12.763  -8.548   4.425
  287    H    THR  50           HN       THR  50 -10.666  -5.473  -0.275
  288    HA   THR  50           HA       THR  50 -12.809  -3.573   0.061
  289    HB   THR  50           HB       THR  50 -13.255  -3.888  -2.395
  290    HG1  THR  50           HG1      THR  50 -11.162  -5.777  -2.065
  291   HG21  THR  50          HG21      THR  50 -10.430  -3.224  -1.573
  292   HG22  THR  50          HG22      THR  50 -11.803  -2.117  -1.608
  293   HG23  THR  50          HG23      THR  50 -11.174  -2.789  -3.112
  294    H    SER  51           HN       SER  51 -14.710  -3.934   0.636
  295    HA   SER  51           HA       SER  51 -15.678  -6.344   1.464
  296    HB2  SER  51           HB2      SER  51 -17.895  -5.107   1.504
  297    HB3  SER  51           HB1      SER  51 -16.535  -4.337   2.326
  298    HG   SER  51           HG       SER  51 -17.840  -3.599  -0.032
  299    H    ASP  52           HN       ASP  52 -15.868  -5.052  -1.782
  300    HA   ASP  52           HA       ASP  52 -17.955  -6.943  -2.506
  301    HB2  ASP  52           HB2      ASP  52 -18.185  -5.766  -4.516
  302    HB3  ASP  52           HB1      ASP  52 -17.819  -4.520  -3.329
  303    H    ARG  53           HN       ARG  53 -14.527  -6.996  -2.451
  304    HA   ARG  53           HA       ARG  53 -14.545  -9.244  -4.348
  305    HB2  ARG  53           HB2      ARG  53 -13.768  -7.199  -5.521
  306    HB3  ARG  53           HB1      ARG  53 -12.459  -7.068  -4.352
  307    HG2  ARG  53           HG2      ARG  53 -11.478  -8.119  -6.183
  308    HG3  ARG  53           HG1      ARG  53 -11.841  -9.430  -5.055
  309    HD2  ARG  53           HD2      ARG  53 -13.845  -9.987  -6.289
  310    HD3  ARG  53           HD1      ARG  53 -13.563  -8.647  -7.398
  311    HE   ARG  53           HE       ARG  53 -11.288 -10.177  -7.521
  312   HH11  ARG  53          HH11      ARG  53 -14.699 -10.717  -8.100
  313   HH12  ARG  53          HH12      ARG  53 -14.432 -11.949  -9.291
  314   HH21  ARG  53          HH21      ARG  53 -10.931 -11.797  -9.075
  315   HH22  ARG  53          HH22      ARG  53 -12.279 -12.568  -9.846
  316    H    GLY  54           HN       GLY  54 -12.815  -7.526  -1.798
  317    HA2  GLY  54           HA2      GLY  54 -12.058  -8.907   0.091
  318    HA3  GLY  54           HA1      GLY  54 -11.486 -10.053  -1.104
  319    H    TRP  55           HN       TRP  55  -9.402  -9.941  -0.177
  320    HA   TRP  55           HA       TRP  55  -7.833  -7.674   0.084
  321    HB2  TRP  55           HB2      TRP  55  -7.223 -10.544  -0.464
  322    HB3  TRP  55           HB1      TRP  55  -5.930  -9.368  -0.644
  323    HD1  TRP  55           HD1      TRP  55  -6.959 -11.701   1.795
  324    HE1  TRP  55           HE1      TRP  55  -6.384 -10.973   4.195
  325    HE3  TRP  55           HE3      TRP  55  -6.131  -6.730   0.966
  326    HZ2  TRP  55           HZ2      TRP  55  -5.667  -8.603   5.539
  327    HZ3  TRP  55           HZ3      TRP  55  -5.503  -5.307   2.868
  328    HH2  TRP  55           HH2      TRP  55  -5.285  -6.217   5.111
  329    H    THR  56           HN       THR  56  -7.307  -6.183  -1.291
  330    HA   THR  56           HA       THR  56  -7.686  -6.399  -4.103
  331    HB   THR  56           HB       THR  56  -6.578  -4.175  -4.197
  332    HG1  THR  56           HG1      THR  56  -5.159  -3.951  -2.617
  333   HG21  THR  56          HG21      THR  56  -8.983  -4.334  -3.737
  334   HG22  THR  56          HG22      THR  56  -8.254  -2.951  -2.920
  335   HG23  THR  56          HG23      THR  56  -8.642  -4.410  -2.007
  336    H    ASP  57           HN       ASP  57  -6.116  -6.491  -5.764
  337    HA   ASP  57           HA       ASP  57  -3.691  -7.816  -5.254
  338    HB2  ASP  57           HB2      ASP  57  -3.029  -7.118  -7.547
  339    HB3  ASP  57           HB1      ASP  57  -4.613  -7.869  -7.483
  340    H    GLU  58           HN       GLU  58  -1.965  -7.117  -4.333
  341    HA   GLU  58           HA       GLU  58  -1.959  -4.709  -3.012
  342    HB2  GLU  58           HB2      GLU  58  -0.025  -5.396  -2.025
  343    HB3  GLU  58           HB1      GLU  58  -0.659  -6.919  -2.602
  344    HG2  GLU  58           HG2      GLU  58   0.790  -6.430  -4.687
  345    HG3  GLU  58           HG1      GLU  58   1.628  -5.320  -3.597
  346    H    CYS  59           HN       CYS  59  -0.985  -2.815  -3.220
  347    HA   CYS  59           HA       CYS  59  -0.125  -2.124  -5.926
  348    HB2  CYS  59           HB2      CYS  59  -0.937  -0.334  -3.620
  349    HB3  CYS  59           HB1      CYS  59  -0.578   0.196  -5.262
  350    HG   CYS  59           HG       CYS  59  -2.911  -2.136  -5.316
  351    H    ILE  60           HN       ILE  60   1.976  -2.563  -6.066
  352    HA   ILE  60           HA       ILE  60   3.856  -2.103  -3.979
  353    HB   ILE  60           HB       ILE  60   4.275  -2.563  -6.937
  354   HG12  ILE  60          HG12      ILE  60   3.080  -4.387  -5.695
  355   HG13  ILE  60          HG11      ILE  60   4.607  -4.873  -6.425
  356   HG21  ILE  60          HG21      ILE  60   6.549  -3.204  -6.330
  357   HG22  ILE  60          HG22      ILE  60   6.220  -2.743  -4.660
  358   HG23  ILE  60          HG23      ILE  60   6.205  -1.521  -5.929
  359   HD11  ILE  60          HD11      ILE  60   4.323  -5.794  -4.194
  360   HD12  ILE  60          HD12      ILE  60   4.197  -4.161  -3.542
  361   HD13  ILE  60          HD13      ILE  60   5.702  -4.699  -4.280
  362    H    GLY  61           HN       GLY  61   4.647  -0.200  -3.402
  363    HA2  GLY  61           HA2      GLY  61   4.239   2.136  -5.072
  364    HA3  GLY  61           HA1      GLY  61   4.889   2.119  -3.440
  365    H    GLU  62           HN       GLU  62   6.405   3.710  -4.396
  366    HA   GLU  62           HA       GLU  62   8.367   2.716  -6.268
  367    HB2  GLU  62           HB2      GLU  62   8.281   5.259  -4.635
  368    HB3  GLU  62           HB1      GLU  62   9.456   4.907  -5.892
  369    HG2  GLU  62           HG2      GLU  62   7.680   4.860  -7.554
  370    HG3  GLU  62           HG1      GLU  62   6.484   5.174  -6.295
  371    HA   PRO  63           HA       PRO  63  11.197   1.039  -3.190
  372    HB2  PRO  63           HB2      PRO  63  13.247   1.928  -5.144
  373    HB3  PRO  63           HB1      PRO  63  12.995   0.333  -4.429
  374    HG2  PRO  63           HG2      PRO  63  12.345   0.826  -6.976
  375    HG3  PRO  63           HG1      PRO  63  11.360  -0.244  -5.961
  376    HD2  PRO  63           HD2      PRO  63  10.847   2.575  -6.802
  377    HD3  PRO  63           HD1      PRO  63   9.705   1.231  -6.593
  378    H    MET  64           HN       MET  64  11.502   2.304  -1.452
  379    HA   MET  64           HA       MET  64  12.356   5.086  -1.889
  380    HB2  MET  64           HB2      MET  64  10.432   3.855   0.064
  381    HB3  MET  64           HB1      MET  64  11.152   5.431   0.356
  382    HG2  MET  64           HG2      MET  64   9.508   4.683  -2.048
  383    HG3  MET  64           HG1      MET  64   8.931   5.587  -0.649
  384    HE1  MET  64           HE1      MET  64   8.386   6.799  -3.344
  385    HE2  MET  64           HE2      MET  64   9.011   8.442  -3.228
  386    HE3  MET  64           HE3      MET  64   8.138   7.734  -1.869
  387    HA   PRO  65           HA       PRO  65  15.799   4.136   0.734
  388    HB2  PRO  65           HB2      PRO  65  16.673   6.630   1.207
  389    HB3  PRO  65           HB1      PRO  65  16.806   5.887  -0.391
  390    HG2  PRO  65           HG2      PRO  65  14.759   7.826   0.629
  391    HG3  PRO  65           HG1      PRO  65  15.626   7.830  -0.918
  392    HD2  PRO  65           HD2      PRO  65  13.087   6.887  -0.645
  393    HD3  PRO  65           HD1      PRO  65  14.231   6.259  -1.849
  394    H    SER  66           HN       SER  66  12.898   5.124   1.889
  395    HA   SER  66           HA       SER  66  13.762   4.931   4.631
  396    HB2  SER  66           HB2      SER  66  12.310   7.398   3.630
  397    HB3  SER  66           HB1      SER  66  12.639   7.023   5.319
  398    HG   SER  66           HG       SER  66  14.895   6.891   3.817
  399    H    VAL  67           HN       VAL  67  12.157   4.123   5.928
  400    HA   VAL  67           HA       VAL  67  10.280   2.539   4.530
  401    HB   VAL  67           HB       VAL  67   9.493   1.823   6.802
  402   HG11  VAL  67          HG11      VAL  67  11.274   0.649   5.622
  403   HG12  VAL  67          HG12      VAL  67  11.561   0.655   7.362
  404   HG13  VAL  67          HG13      VAL  67  12.464   1.749   6.314
  405   HG21  VAL  67          HG21      VAL  67   9.942   3.896   8.010
  406   HG22  VAL  67          HG22      VAL  67  11.672   3.687   7.735
  407   HG23  VAL  67          HG23      VAL  67  10.795   2.538   8.745
  408    H    LYS  68           HN       LYS  68   9.875   5.552   6.345
  409    HA   LYS  68           HA       LYS  68   7.095   5.352   6.658
  410    HB2  LYS  68           HB2      LYS  68   8.853   6.898   7.796
  411    HB3  LYS  68           HB1      LYS  68   8.539   7.966   6.435
  412    HG2  LYS  68           HG2      LYS  68   6.188   8.034   7.003
  413    HG3  LYS  68           HG1      LYS  68   6.486   6.908   8.327
  414    HD2  LYS  68           HD2      LYS  68   7.936   8.539   9.411
  415    HD3  LYS  68           HD1      LYS  68   7.685   9.663   8.074
  416    HE2  LYS  68           HE2      LYS  68   6.283  10.226   9.999
  417    HE3  LYS  68           HE1      LYS  68   5.313   9.782   8.595
  418    HZ1  LYS  68           HZ1      LYS  68   5.000   7.591   9.547
  419    HZ2  LYS  68           HZ2      LYS  68   4.475   8.775  10.629
  420    HZ3  LYS  68           HZ3      LYS  68   5.953   7.998  10.881
  421    H    LYS  69           HN       LYS  69   9.113   6.795   4.124
  422    HA   LYS  69           HA       LYS  69   6.815   7.842   2.736
  423    HB2  LYS  69           HB2      LYS  69   8.409   8.607   1.049
  424    HB3  LYS  69           HB1      LYS  69   8.927   9.074   2.663
  425    HG2  LYS  69           HG2      LYS  69  10.387   7.011   2.628
  426    HG3  LYS  69           HG1      LYS  69  10.023   6.912   0.910
  427    HD2  LYS  69           HD2      LYS  69  11.281   9.288   2.273
  428    HD3  LYS  69           HD1      LYS  69  12.171   8.052   1.391
  429    HE2  LYS  69           HE2      LYS  69  11.964   9.709  -0.197
  430    HE3  LYS  69           HE1      LYS  69  10.582   8.682  -0.570
  431    HZ1  LYS  69           HZ1      LYS  69  10.499  11.187   1.024
  432    HZ2  LYS  69           HZ2      LYS  69   9.167  10.211   0.664
  433    HZ3  LYS  69           HZ3      LYS  69   9.983  11.016  -0.575
  434    H    ALA  70           HN       ALA  70   8.671   4.933   2.757
  435    HA   ALA  70           HA       ALA  70   8.092   3.876   0.258
  436    HB1  ALA  70           HB1      ALA  70   8.248   2.363   2.863
  437    HB2  ALA  70           HB2      ALA  70   9.634   2.856   1.890
  438    HB3  ALA  70           HB3      ALA  70   8.470   1.697   1.245
  439    H    LYS  71           HN       LYS  71   6.301   3.135   3.262
  440    HA   LYS  71           HA       LYS  71   4.087   1.963   2.100
  441    HB2  LYS  71           HB2      LYS  71   2.958   2.267   4.179
  442    HB3  LYS  71           HB1      LYS  71   4.651   1.956   4.515
  443    HG2  LYS  71           HG2      LYS  71   5.064   4.276   4.920
  444    HG3  LYS  71           HG1      LYS  71   3.414   4.657   4.438
  445    HD2  LYS  71           HD2      LYS  71   4.068   2.853   6.756
  446    HD3  LYS  71           HD1      LYS  71   3.864   4.594   6.934
  447    HE2  LYS  71           HE2      LYS  71   1.777   2.741   5.794
  448    HE3  LYS  71           HE1      LYS  71   1.829   3.265   7.475
  449    HZ1  LYS  71           HZ1      LYS  71   1.475   5.003   5.096
  450    HZ2  LYS  71           HZ2      LYS  71   1.648   5.572   6.675
  451    HZ3  LYS  71           HZ3      LYS  71   0.308   4.632   6.260
  452    H    ASP  72           HN       ASP  72   4.612   5.318   2.948
  453    HA   ASP  72           HA       ASP  72   2.257   6.470   2.180
  454    HB2  ASP  72           HB2      ASP  72   4.147   7.670   3.220
  455    HB3  ASP  72           HB1      ASP  72   5.015   7.605   1.690
  456    H    SER  73           HN       SER  73   5.018   5.756   0.021
  457    HA   SER  73           HA       SER  73   3.923   6.846  -2.302
  458    HB2  SER  73           HB2      SER  73   6.281   6.245  -2.114
  459    HB3  SER  73           HB1      SER  73   5.857   4.540  -1.975
  460    HG   SER  73           HG       SER  73   5.090   6.083  -4.217
  461    H    ALA  74           HN       ALA  74   3.707   3.529  -1.023
  462    HA   ALA  74           HA       ALA  74   2.369   2.476  -3.309
  463    HB1  ALA  74           HB1      ALA  74   1.946   0.525  -1.939
  464    HB2  ALA  74           HB2      ALA  74   2.370   1.426  -0.485
  465    HB3  ALA  74           HB3      ALA  74   3.602   1.080  -1.697
  466    H    ALA  75           HN       ALA  75   1.325   3.775  -0.238
  467    HA   ALA  75           HA       ALA  75  -1.411   3.338  -0.330
  468    HB1  ALA  75           HB1      ALA  75  -1.640   5.249   1.152
  469    HB2  ALA  75           HB2      ALA  75  -0.015   5.790   0.732
  470    HB3  ALA  75           HB3      ALA  75  -0.241   4.276   1.607
  471    H    VAL  76           HN       VAL  76   0.498   5.842  -1.971
  472    HA   VAL  76           HA       VAL  76  -1.581   7.499  -2.830
  473    HB   VAL  76           HB       VAL  76   1.041   6.901  -4.219
  474   HG11  VAL  76          HG11      VAL  76  -0.854   9.217  -4.584
  475   HG12  VAL  76          HG12      VAL  76  -0.546   7.928  -5.749
  476   HG13  VAL  76          HG13      VAL  76   0.738   9.062  -5.328
  477   HG21  VAL  76          HG21      VAL  76   1.827   8.962  -3.144
  478   HG22  VAL  76          HG22      VAL  76   1.372   7.731  -1.964
  479   HG23  VAL  76          HG23      VAL  76   0.291   9.087  -2.285
  480    H    LEU  77           HN       LEU  77  -0.203   4.575  -4.234
  481    HA   LEU  77           HA       LEU  77  -1.728   4.779  -6.671
  482    HB2  LEU  77           HB2      LEU  77  -0.137   2.479  -5.527
  483    HB3  LEU  77           HB1      LEU  77  -0.776   2.566  -7.153
  484    HG   LEU  77           HG       LEU  77   1.334   4.397  -6.013
  485   HD11  LEU  77          HD11      LEU  77   1.553   2.147  -8.006
  486   HD12  LEU  77          HD12      LEU  77   2.151   2.124  -6.348
  487   HD13  LEU  77          HD13      LEU  77   2.855   3.234  -7.523
  488   HD21  LEU  77          HD21      LEU  77   1.579   5.158  -8.340
  489   HD22  LEU  77          HD22      LEU  77  -0.011   5.530  -7.679
  490   HD23  LEU  77          HD23      LEU  77   0.186   4.177  -8.792
  491    H    LEU  78           HN       LEU  78  -1.939   3.231  -3.594
  492    HA   LEU  78           HA       LEU  78  -4.025   1.408  -4.075
  493    HB2  LEU  78           HB2      LEU  78  -2.566   1.327  -2.138
  494    HB3  LEU  78           HB1      LEU  78  -3.165   2.878  -1.598
  495    HG   LEU  78           HG       LEU  78  -5.432   1.802  -1.363
  496   HD11  LEU  78          HD11      LEU  78  -3.805  -0.724  -1.629
  497   HD12  LEU  78          HD12      LEU  78  -4.970  -0.134  -2.813
  498   HD13  LEU  78          HD13      LEU  78  -5.513  -0.615  -1.207
  499   HD21  LEU  78          HD21      LEU  78  -4.875   0.869   0.803
  500   HD22  LEU  78          HD22      LEU  78  -3.896   2.309   0.502
  501   HD23  LEU  78          HD23      LEU  78  -3.185   0.707   0.322
  502    H    LEU  79           HN       LEU  79  -4.007   4.741  -2.892
  503    HA   LEU  79           HA       LEU  79  -6.781   4.986  -2.503
  504    HB2  LEU  79           HB2      LEU  79  -4.493   6.840  -2.725
  505    HB3  LEU  79           HB1      LEU  79  -6.074   7.527  -3.031
  506    HG   LEU  79           HG       LEU  79  -6.839   6.815  -0.817
  507   HD11  LEU  79          HD11      LEU  79  -4.030   5.786  -0.447
  508   HD12  LEU  79          HD12      LEU  79  -5.490   4.805  -0.569
  509   HD13  LEU  79          HD13      LEU  79  -5.265   5.885   0.806
  510   HD21  LEU  79          HD21      LEU  79  -5.828   9.013  -1.056
  511   HD22  LEU  79          HD22      LEU  79  -4.233   8.326  -0.752
  512   HD23  LEU  79          HD23      LEU  79  -5.453   8.322   0.522
  513    H    GLU  80           HN       GLU  80  -4.881   5.061  -5.392
  514    HA   GLU  80           HA       GLU  80  -6.853   6.270  -7.069
  515    HB2  GLU  80           HB2      GLU  80  -4.636   4.345  -7.787
  516    HB3  GLU  80           HB1      GLU  80  -5.487   5.423  -8.893
  517    HG2  GLU  80           HG2      GLU  80  -3.859   6.388  -6.559
  518    HG3  GLU  80           HG1      GLU  80  -3.200   6.160  -8.172
  519    H    LEU  81           HN       LEU  81  -6.036   3.027  -6.069
  520    HA   LEU  81           HA       LEU  81  -7.804   1.594  -7.758
  521    HB2  LEU  81           HB2      LEU  81  -5.763   0.863  -6.249
  522    HB3  LEU  81           HB1      LEU  81  -7.013   0.636  -5.048
  523    HG   LEU  81           HG       LEU  81  -6.982  -0.732  -7.729
  524   HD11  LEU  81          HD11      LEU  81  -5.077  -1.411  -6.358
  525   HD12  LEU  81          HD12      LEU  81  -6.254  -2.716  -6.510
  526   HD13  LEU  81          HD13      LEU  81  -6.166  -1.775  -5.021
  527   HD21  LEU  81          HD21      LEU  81  -9.216  -0.523  -6.732
  528   HD22  LEU  81          HD22      LEU  81  -8.617  -1.270  -5.250
  529   HD23  LEU  81          HD23      LEU  81  -8.663  -2.198  -6.748
  530    H    LEU  82           HN       LEU  82  -7.978   2.723  -4.415
  531    HA   LEU  82           HA       LEU  82 -10.573   1.846  -3.835
  532    HB2  LEU  82           HB2      LEU  82  -8.555   3.623  -2.665
  533    HB3  LEU  82           HB1      LEU  82 -10.205   3.993  -2.209
  534    HG   LEU  82           HG       LEU  82 -10.498   1.969  -1.124
  535   HD11  LEU  82          HD11      LEU  82  -9.788   0.389  -2.742
  536   HD12  LEU  82          HD12      LEU  82  -8.853   0.083  -1.279
  537   HD13  LEU  82          HD13      LEU  82  -8.115   0.937  -2.633
  538   HD21  LEU  82          HD21      LEU  82  -8.621   1.759   0.413
  539   HD22  LEU  82          HD22      LEU  82  -8.987   3.452   0.081
  540   HD23  LEU  82          HD23      LEU  82  -7.606   2.680  -0.697
  541    H    ASN  83           HN       ASN  83  -9.503   4.452  -5.762
  542    HA   ASN  83           HA       ASN  83 -11.954   5.976  -5.488
  543    HB2  ASN  83           HB2      ASN  83  -9.758   7.072  -5.942
  544    HB3  ASN  83           HB1      ASN  83  -9.723   6.280  -7.512
  545   HD21  ASN  83          HD21      ASN  83 -11.310   8.684  -5.554
  546   HD22  ASN  83          HD22      ASN  83 -12.076   9.525  -6.855
  547    H    LYS  84           HN       LYS  84 -11.154   3.149  -6.913
  548    HA   LYS  84           HA       LYS  84 -13.070   3.495  -9.114
  549    HB2  LYS  84           HB2      LYS  84 -10.576   1.792  -9.067
  550    HB3  LYS  84           HB1      LYS  84 -11.771   1.774 -10.357
  551    HG2  LYS  84           HG2      LYS  84 -11.226   3.933 -11.052
  552    HG3  LYS  84           HG1      LYS  84 -10.382   4.296  -9.547
  553    HD2  LYS  84           HD2      LYS  84  -8.642   2.672 -10.137
  554    HD3  LYS  84           HD1      LYS  84  -9.495   2.309 -11.640
  555    HE2  LYS  84           HE2      LYS  84  -8.356   4.993 -10.865
  556    HE3  LYS  84           HE1      LYS  84  -7.622   3.856 -11.993
  557    HZ1  LYS  84           HZ1      LYS  84 -10.252   5.189 -12.342
  558    HZ2  LYS  84           HZ2      LYS  84  -9.569   4.079 -13.417
  559    HZ3  LYS  84           HZ3      LYS  84  -8.827   5.577 -13.164
  560    H    THR  85           HN       THR  85 -13.811   2.765  -6.551
  561    HA   THR  85           HA       THR  85 -15.131   0.302  -7.038
  562    HB   THR  85           HB       THR  85 -12.994  -0.661  -6.365
  563    HG1  THR  85           HG1      THR  85 -13.848  -2.058  -4.882
  564   HG21  THR  85          HG21      THR  85 -12.130   1.172  -5.020
  565   HG22  THR  85          HG22      THR  85 -12.115  -0.332  -4.099
  566   HG23  THR  85          HG23      THR  85 -13.365   0.876  -3.798
  Start of MODEL    4
    1    H1   ASN  15           HT1      ASN  15  -5.360   5.925   5.552
    2    H2   ASN  15           HT2      ASN  15  -5.978   5.180   4.169
    3    H3   ASN  15           HT3      ASN  15  -4.652   4.508   4.966
    4    HA   ASN  15           HA       ASN  15  -6.620   3.250   5.446
    5    HB2  ASN  15           HB2      ASN  15  -5.564   4.886   7.758
    6    HB3  ASN  15           HB1      ASN  15  -6.578   3.461   7.948
    7   HD21  ASN  15          HD21      ASN  15  -5.036   2.308   9.044
    8   HD22  ASN  15          HD22      ASN  15  -3.599   1.707   8.292
    9    H    ASP  16           HN       ASP  16  -7.120   6.649   5.506
   10    HA   ASP  16           HA       ASP  16  -9.425   6.732   7.172
   11    HB2  ASP  16           HB2      ASP  16  -8.081   8.721   6.772
   12    HB3  ASP  16           HB1      ASP  16  -8.431   8.647   5.051
   13    H    ILE  17           HN       ILE  17  -8.955   6.697   3.666
   14    HA   ILE  17           HA       ILE  17 -11.702   6.762   3.017
   15    HB   ILE  17           HB       ILE  17  -9.313   5.854   1.412
   16   HG12  ILE  17          HG12      ILE  17  -9.946   7.954   0.116
   17   HG13  ILE  17          HG11      ILE  17 -11.042   8.320   1.437
   18   HG21  ILE  17          HG21      ILE  17 -12.163   6.133   0.465
   19   HG22  ILE  17          HG22      ILE  17 -11.268   4.623   0.625
   20   HG23  ILE  17          HG23      ILE  17 -10.761   5.828  -0.560
   21   HD11  ILE  17          HD11      ILE  17  -8.064   8.037   1.653
   22   HD12  ILE  17          HD12      ILE  17  -9.171   8.379   2.982
   23   HD13  ILE  17          HD13      ILE  17  -8.980   9.545   1.671
   24    H    CYS  18           HN       CYS  18  -9.443   4.189   3.701
   25    HA   CYS  18           HA       CYS  18 -11.071   2.007   2.920
   26    HB2  CYS  18           HB2      CYS  18  -8.966   2.004   5.092
   27    HB3  CYS  18           HB1      CYS  18  -9.498   0.639   4.118
   28    HG   CYS  18           HG       CYS  18  -8.168   1.237   1.887
   29    H    LEU  19           HN       LEU  19 -10.522   3.702   5.935
   30    HA   LEU  19           HA       LEU  19 -12.096   2.131   7.653
   31    HB2  LEU  19           HB2      LEU  19 -10.429   3.835   8.311
   32    HB3  LEU  19           HB1      LEU  19 -11.513   5.082   7.761
   33    HG   LEU  19           HG       LEU  19 -13.158   4.369   9.475
   34   HD11  LEU  19          HD11      LEU  19 -12.454   2.062   9.755
   35   HD12  LEU  19          HD12      LEU  19 -12.408   2.918  11.296
   36   HD13  LEU  19          HD13      LEU  19 -10.912   2.599  10.420
   37   HD21  LEU  19          HD21      LEU  19 -11.607   6.224   9.857
   38   HD22  LEU  19          HD22      LEU  19 -10.436   5.098  10.540
   39   HD23  LEU  19          HD23      LEU  19 -11.979   5.365  11.352
   40    H    ARG  20           HN       ARG  20 -12.758   5.041   5.790
   41    HA   ARG  20           HA       ARG  20 -15.367   5.516   6.685
   42    HB2  ARG  20           HB2      ARG  20 -13.690   6.963   5.300
   43    HB3  ARG  20           HB1      ARG  20 -14.465   6.205   3.916
   44    HG2  ARG  20           HG2      ARG  20 -15.556   8.267   4.269
   45    HG3  ARG  20           HG1      ARG  20 -16.651   7.000   4.830
   46    HD2  ARG  20           HD2      ARG  20 -16.481   8.979   6.351
   47    HD3  ARG  20           HD1      ARG  20 -16.119   7.429   7.108
   48    HE   ARG  20           HE       ARG  20 -13.751   8.680   6.144
   49   HH11  ARG  20          HH11      ARG  20 -16.103   8.815   8.734
   50   HH12  ARG  20          HH12      ARG  20 -14.988   9.472   9.888
   51   HH21  ARG  20          HH21      ARG  20 -12.255   9.526   7.681
   52   HH22  ARG  20          HH22      ARG  20 -12.810   9.875   9.290
   53    H    LYS  21           HN       LYS  21 -14.111   3.529   4.081
   54    HA   LYS  21           HA       LYS  21 -16.632   3.018   2.846
   55    HB2  LYS  21           HB2      LYS  21 -13.887   1.849   2.590
   56    HB3  LYS  21           HB1      LYS  21 -15.258   1.125   1.755
   57    HG2  LYS  21           HG2      LYS  21 -14.238   3.940   1.434
   58    HG3  LYS  21           HG1      LYS  21 -14.091   2.616   0.278
   59    HD2  LYS  21           HD2      LYS  21 -16.734   3.669   1.227
   60    HD3  LYS  21           HD1      LYS  21 -15.910   4.262  -0.196
   61    HE2  LYS  21           HE2      LYS  21 -16.607   1.373   0.227
   62    HE3  LYS  21           HE1      LYS  21 -17.641   2.510  -0.623
   63    HZ1  LYS  21           HZ1      LYS  21 -16.224   1.187  -2.109
   64    HZ2  LYS  21           HZ2      LYS  21 -14.854   1.896  -1.414
   65    HZ3  LYS  21           HZ3      LYS  21 -15.962   2.848  -2.262
   66    H    ASN  22           HN       ASN  22 -15.703   2.204   5.770
   67    HA   ASN  22           HA       ASN  22 -16.372   0.706   7.322
   68    HB2  ASN  22           HB2      ASN  22 -18.597   0.958   6.203
   69    HB3  ASN  22           HB1      ASN  22 -18.195  -0.417   5.185
   70   HD21  ASN  22          HD21      ASN  22 -19.860  -1.688   5.918
   71   HD22  ASN  22          HD22      ASN  22 -19.906  -2.348   7.516
   72    H    TRP  23           HN       TRP  23 -14.166   0.215   5.511
   73    HA   TRP  23           HA       TRP  23 -14.072  -2.705   5.423
   74    HB2  TRP  23           HB2      TRP  23 -12.090  -0.623   4.473
   75    HB3  TRP  23           HB1      TRP  23 -11.877  -2.359   4.305
   76    HD1  TRP  23           HD1      TRP  23 -15.083  -2.718   3.351
   77    HE1  TRP  23           HE1      TRP  23 -15.584  -2.165   0.876
   78    HE3  TRP  23           HE3      TRP  23 -10.992   0.143   2.348
   79    HZ2  TRP  23           HZ2      TRP  23 -14.346  -0.708  -1.233
   80    HZ3  TRP  23           HZ3      TRP  23 -10.717   1.084   0.101
   81    HH2  TRP  23           HH2      TRP  23 -12.365   0.672  -1.652
   82    HA   PRO  24           HA       PRO  24 -11.530  -2.904   9.101
   83    HB2  PRO  24           HB2      PRO  24  -9.867  -4.946   8.492
   84    HB3  PRO  24           HB1      PRO  24 -11.563  -5.197   8.911
   85    HG2  PRO  24           HG2      PRO  24 -10.273  -5.099   6.216
   86    HG3  PRO  24           HG1      PRO  24 -11.494  -6.229   6.830
   87    HD2  PRO  24           HD2      PRO  24 -12.124  -4.134   5.239
   88    HD3  PRO  24           HD1      PRO  24 -13.223  -4.734   6.495
   89    H    MET  25           HN       MET  25  -8.918  -3.323   9.497
   90    HA   MET  25           HA       MET  25  -7.662  -1.063   8.285
   91    HB2  MET  25           HB2      MET  25  -6.552  -3.206  10.095
   92    HB3  MET  25           HB1      MET  25  -5.753  -1.690   9.700
   93    HG2  MET  25           HG2      MET  25  -8.437  -1.805  11.030
   94    HG3  MET  25           HG1      MET  25  -6.931  -1.828  11.931
   95    HE1  MET  25           HE1      MET  25  -8.935   1.757   9.926
   96    HE2  MET  25           HE2      MET  25  -9.696   0.285  10.530
   97    HE3  MET  25           HE3      MET  25  -8.763   0.248   9.036
   98    HA   PRO  26           HA       PRO  26  -5.928  -3.266   4.864
   99    HB2  PRO  26           HB2      PRO  26  -3.887  -1.225   4.619
  100    HB3  PRO  26           HB1      PRO  26  -5.261  -1.546   3.567
  101    HG2  PRO  26           HG2      PRO  26  -5.063   0.677   5.128
  102    HG3  PRO  26           HG1      PRO  26  -6.609  -0.044   4.648
  103    HD2  PRO  26           HD2      PRO  26  -5.141  -0.252   7.243
  104    HD3  PRO  26           HD1      PRO  26  -6.885  -0.115   6.934
  105    H    SER  27           HN       SER  27  -3.952  -4.188   4.118
  106    HA   SER  27           HA       SER  27  -2.197  -5.019   6.287
  107    HB2  SER  27           HB2      SER  27  -3.160  -6.647   4.646
  108    HB3  SER  27           HB1      SER  27  -2.211  -5.866   3.389
  109    HG   SER  27           HG       SER  27  -1.422  -7.613   5.375
  110    H    TYR  28           HN       TYR  28   0.047  -4.689   6.307
  111    HA   TYR  28           HA       TYR  28   1.167  -3.044   4.210
  112    HB2  TYR  28           HB2      TYR  28   1.086  -2.276   7.121
  113    HB3  TYR  28           HB1      TYR  28   2.339  -1.670   6.046
  114    HD1  TYR  28           HD2      TYR  28  -1.232  -1.526   6.890
  115    HD2  TYR  28           HD1      TYR  28   1.818  -0.038   4.312
  116    HE1  TYR  28           HE2      TYR  28  -2.711   0.319   6.203
  117    HE2  TYR  28           HE1      TYR  28   0.354   1.801   3.622
  118    HH   TYR  28           HH       TYR  28  -2.550   2.559   5.268
  119    H    ARG  29           HN       ARG  29   2.888  -4.239   3.547
  120    HA   ARG  29           HA       ARG  29   4.581  -5.561   5.514
  121    HB2  ARG  29           HB2      ARG  29   2.770  -7.159   4.858
  122    HB3  ARG  29           HB1      ARG  29   3.304  -7.019   3.192
  123    HG2  ARG  29           HG2      ARG  29   5.582  -7.813   4.063
  124    HG3  ARG  29           HG1      ARG  29   4.692  -8.312   5.506
  125    HD2  ARG  29           HD2      ARG  29   4.696 -10.225   4.162
  126    HD3  ARG  29           HD1      ARG  29   3.112  -9.509   3.873
  127    HE   ARG  29           HE       ARG  29   5.380  -9.556   2.020
  128   HH11  ARG  29          HH11      ARG  29   2.021  -8.701   2.618
  129   HH12  ARG  29          HH12      ARG  29   1.680  -8.425   0.934
  130   HH21  ARG  29          HH21      ARG  29   4.886  -9.202  -0.174
  131   HH22  ARG  29          HH22      ARG  29   3.284  -8.701  -0.631
  132    H    CYS  30           HN       CYS  30   6.629  -5.060   4.962
  133    HA   CYS  30           HA       CYS  30   7.253  -3.834   2.490
  134    HB2  CYS  30           HB2      CYS  30   9.612  -3.984   3.280
  135    HB3  CYS  30           HB1      CYS  30   8.521  -3.254   4.450
  136    HG   CYS  30           HG       CYS  30  10.601  -5.038   5.497
  137    H    VAL  31           HN       VAL  31   7.755  -4.697   0.594
  138    HA   VAL  31           HA       VAL  31   7.891  -7.579   0.424
  139    HB   VAL  31           HB       VAL  31   7.722  -7.337  -1.970
  140   HG11  VAL  31          HG11      VAL  31   5.525  -6.268  -2.103
  141   HG12  VAL  31          HG12      VAL  31   5.798  -5.534  -0.524
  142   HG13  VAL  31          HG13      VAL  31   5.673  -7.286  -0.672
  143   HG21  VAL  31          HG21      VAL  31   7.854  -4.363  -1.531
  144   HG22  VAL  31          HG22      VAL  31   7.467  -5.158  -3.057
  145   HG23  VAL  31          HG23      VAL  31   9.066  -5.357  -2.339
  146    H    LYS  32           HN       LYS  32   9.974  -4.809  -0.302
  147    HA   LYS  32           HA       LYS  32  12.241  -6.674  -0.291
  148    HB2  LYS  32           HB2      LYS  32  11.598  -6.076  -2.654
  149    HB3  LYS  32           HB1      LYS  32  11.992  -4.409  -2.262
  150    HG2  LYS  32           HG2      LYS  32  14.291  -5.091  -1.725
  151    HG3  LYS  32           HG1      LYS  32  13.890  -6.742  -2.199
  152    HD2  LYS  32           HD2      LYS  32  13.346  -5.935  -4.460
  153    HD3  LYS  32           HD1      LYS  32  13.807  -4.302  -3.973
  154    HE2  LYS  32           HE2      LYS  32  16.075  -5.095  -3.490
  155    HE3  LYS  32           HE1      LYS  32  15.611  -6.720  -3.991
  156    HZ1  LYS  32           HZ1      LYS  32  15.126  -5.814  -6.206
  157    HZ2  LYS  32           HZ2      LYS  32  16.745  -5.614  -5.770
  158    HZ3  LYS  32           HZ3      LYS  32  15.683  -4.297  -5.705
  159    H    GLU  33           HN       GLU  33  13.790  -6.045   1.048
  160    HA   GLU  33           HA       GLU  33  14.463  -3.222   1.346
  161    HB2  GLU  33           HB2      GLU  33  13.814  -5.024   3.685
  162    HB3  GLU  33           HB1      GLU  33  14.663  -3.496   3.834
  163    HG2  GLU  33           HG2      GLU  33  12.671  -2.355   2.911
  164    HG3  GLU  33           HG1      GLU  33  11.829  -3.906   2.915
  165    H    GLY  34           HN       GLY  34  16.665  -2.910   1.647
  166    HA2  GLY  34           HA2      GLY  34  18.807  -3.423   2.392
  167    HA3  GLY  34           HA1      GLY  34  18.254  -5.035   2.809
  168    H    GLY  35           HN       GLY  35  17.459  -6.205   0.589
  169    HA2  GLY  35           HA2      GLY  35  18.234  -7.276  -1.301
  170    HA3  GLY  35           HA1      GLY  35  18.971  -5.747  -1.738
  171    HA   PRO  36           HA       PRO  36  22.637  -8.468  -1.254
  172    HB2  PRO  36           HB2      PRO  36  23.697  -6.098  -2.716
  173    HB3  PRO  36           HB1      PRO  36  23.943  -7.816  -3.040
  174    HG2  PRO  36           HG2      PRO  36  22.332  -6.373  -4.582
  175    HG3  PRO  36           HG1      PRO  36  21.905  -8.037  -4.134
  176    HD2  PRO  36           HD2      PRO  36  20.862  -5.453  -3.048
  177    HD3  PRO  36           HD1      PRO  36  19.992  -6.964  -3.386
  178    H    ALA  37           HN       ALA  37  22.676  -4.929  -1.175
  179    HA   ALA  37           HA       ALA  37  23.002  -4.539   1.535
  180    HB1  ALA  37           HB1      ALA  37  25.684  -4.382   0.161
  181    HB2  ALA  37           HB2      ALA  37  25.193  -5.697   1.225
  182    HB3  ALA  37           HB3      ALA  37  25.331  -4.058   1.858
  183    H    HIS  38           HN       HIS  38  24.089  -3.478  -1.640
  184    HA   HIS  38           HA       HIS  38  23.921  -0.685  -0.966
  185    HB2  HIS  38           HB2      HIS  38  24.443  -0.295  -3.351
  186    HB3  HIS  38           HB1      HIS  38  25.579  -1.392  -2.586
  187    HD1  HIS  38           HD1      HIS  38  25.969  -3.574  -3.735
  188    HD2  HIS  38           HD2      HIS  38  22.508  -1.692  -5.068
  189    HE1  HIS  38           HE1      HIS  38  25.144  -4.958  -5.664
  190    HE2  HIS  38           HE2      HIS  38  23.149  -3.708  -6.557
  191    H    ALA  39           HN       ALA  39  21.485  -2.505  -0.882
  192    HA   ALA  39           HA       ALA  39  19.777  -0.864  -2.623
  193    HB1  ALA  39           HB1      ALA  39  19.342  -3.749  -1.877
  194    HB2  ALA  39           HB2      ALA  39  19.911  -3.167  -3.441
  195    HB3  ALA  39           HB3      ALA  39  18.284  -2.765  -2.888
  196    H    LYS  40           HN       LYS  40  20.083   0.369  -0.425
  197    HA   LYS  40           HA       LYS  40  18.334  -0.564   1.656
  198    HB2  LYS  40           HB2      LYS  40  20.405   1.430   1.329
  199    HB3  LYS  40           HB1      LYS  40  19.055   1.996   2.267
  200    HG2  LYS  40           HG2      LYS  40  20.646  -0.494   2.814
  201    HG3  LYS  40           HG1      LYS  40  20.820   1.038   3.662
  202    HD2  LYS  40           HD2      LYS  40  18.524   0.865   4.468
  203    HD3  LYS  40           HD1      LYS  40  18.332  -0.660   3.603
  204    HE2  LYS  40           HE2      LYS  40  18.791  -1.013   5.984
  205    HE3  LYS  40           HE1      LYS  40  20.060  -1.682   4.965
  206    HZ1  LYS  40           HZ1      LYS  40  21.442   0.201   5.450
  207    HZ2  LYS  40           HZ2      LYS  40  20.917  -0.473   6.908
  208    HZ3  LYS  40           HZ3      LYS  40  20.208   0.948   6.331
  209    H    ARG  41           HN       ARG  41  17.599   0.399  -1.161
  210    HA   ARG  41           HA       ARG  41  15.562   2.367  -0.512
  211    HB2  ARG  41           HB2      ARG  41  15.803   0.689  -3.020
  212    HB3  ARG  41           HB1      ARG  41  14.733   2.054  -2.786
  213    HG2  ARG  41           HG2      ARG  41  16.710   3.522  -2.561
  214    HG3  ARG  41           HG1      ARG  41  17.735   2.133  -2.940
  215    HD2  ARG  41           HD2      ARG  41  16.591   1.874  -5.086
  216    HD3  ARG  41           HD1      ARG  41  15.559   3.247  -4.705
  217    HE   ARG  41           HE       ARG  41  18.482   3.485  -5.034
  218   HH11  ARG  41          HH11      ARG  41  15.223   4.639  -5.604
  219   HH12  ARG  41          HH12      ARG  41  15.731   6.024  -6.508
  220   HH21  ARG  41          HH21      ARG  41  19.154   5.292  -6.253
  221   HH22  ARG  41          HH22      ARG  41  17.971   6.394  -6.881
  222    H    PHE  42           HN       PHE  42  13.454   1.885  -0.121
  223    HA   PHE  42           HA       PHE  42  12.992  -0.951   0.482
  224    HB2  PHE  42           HB2      PHE  42  11.636   1.423   1.772
  225    HB3  PHE  42           HB1      PHE  42  11.599  -0.252   2.310
  226    HD1  PHE  42           HD1      PHE  42  14.284  -1.148   2.418
  227    HD2  PHE  42           HD2      PHE  42  12.777   2.747   3.237
  228    HE1  PHE  42           HE1      PHE  42  16.204  -0.719   3.882
  229    HE2  PHE  42           HE2      PHE  42  14.702   3.181   4.704
  230    HZ   PHE  42           HZ       PHE  42  16.418   1.447   5.028
  231    H    THR  43           HN       THR  43  11.315  -1.945  -0.364
  232    HA   THR  43           HA       THR  43   9.390  -0.359  -1.925
  233    HB   THR  43           HB       THR  43  10.347  -3.119  -2.718
  234    HG1  THR  43           HG1      THR  43  11.902  -1.081  -2.694
  235   HG21  THR  43          HG21      THR  43   9.005  -0.892  -4.263
  236   HG22  THR  43          HG22      THR  43   8.228  -2.366  -3.685
  237   HG23  THR  43          HG23      THR  43   9.483  -2.455  -4.920
  238    H    PHE  44           HN       PHE  44   7.237  -0.906  -1.490
  239    HA   PHE  44           HA       PHE  44   6.748  -3.337   0.025
  240    HB2  PHE  44           HB2      PHE  44   6.793  -2.124   1.943
  241    HB3  PHE  44           HB1      PHE  44   6.783  -0.597   1.072
  242    HD1  PHE  44           HD2      PHE  44   4.593  -3.331   2.257
  243    HD2  PHE  44           HD1      PHE  44   4.893   0.713   1.012
  244    HE1  PHE  44           HE2      PHE  44   2.252  -2.967   2.881
  245    HE2  PHE  44           HE1      PHE  44   2.555   1.082   1.659
  246    HZ   PHE  44           HZ       PHE  44   1.238  -0.758   2.601
  247    H    GLY  45           HN       GLY  45   4.441  -3.907   0.035
  248    HA2  GLY  45           HA2      GLY  45   2.856  -2.412  -1.960
  249    HA3  GLY  45           HA1      GLY  45   2.925  -4.166  -1.981
  250    H    VAL  46           HN       VAL  46   0.695  -2.132  -1.520
  251    HA   VAL  46           HA       VAL  46  -0.151  -2.930   1.203
  252    HB   VAL  46           HB       VAL  46  -1.776  -0.973  -0.308
  253   HG11  VAL  46          HG11      VAL  46  -0.785  -1.125   2.526
  254   HG12  VAL  46          HG12      VAL  46  -2.392  -1.533   1.927
  255   HG13  VAL  46          HG13      VAL  46  -1.839   0.140   1.898
  256   HG21  VAL  46          HG21      VAL  46   0.969  -0.248   0.676
  257   HG22  VAL  46          HG22      VAL  46  -0.293   0.917   0.284
  258   HG23  VAL  46          HG23      VAL  46   0.354  -0.137  -0.972
  259    H    ARG  47           HN       ARG  47  -2.392  -3.656   1.486
  260    HA   ARG  47           HA       ARG  47  -3.962  -4.006  -0.906
  261    HB2  ARG  47           HB2      ARG  47  -4.489  -6.383  -0.278
  262    HB3  ARG  47           HB1      ARG  47  -2.860  -6.132  -0.884
  263    HG2  ARG  47           HG2      ARG  47  -2.059  -6.131   1.472
  264    HG3  ARG  47           HG1      ARG  47  -3.699  -6.533   1.975
  265    HD2  ARG  47           HD2      ARG  47  -3.597  -8.546   0.540
  266    HD3  ARG  47           HD1      ARG  47  -1.916  -8.163   0.172
  267    HE   ARG  47           HE       ARG  47  -1.725  -8.294   2.773
  268   HH11  ARG  47          HH11      ARG  47  -3.593 -10.349   0.645
  269   HH12  ARG  47          HH12      ARG  47  -3.535 -11.723   1.704
  270   HH21  ARG  47          HH21      ARG  47  -1.645 -10.097   4.177
  271   HH22  ARG  47          HH22      ARG  47  -2.428 -11.578   3.719
  272    H    VAL  48           HN       VAL  48  -6.174  -4.149  -0.459
  273    HA   VAL  48           HA       VAL  48  -6.931  -3.615   2.354
  274    HB   VAL  48           HB       VAL  48  -8.016  -2.236  -0.115
  275   HG11  VAL  48          HG11      VAL  48  -8.795  -1.904   2.777
  276   HG12  VAL  48          HG12      VAL  48  -9.794  -2.584   1.492
  277   HG13  VAL  48          HG13      VAL  48  -9.339  -0.880   1.447
  278   HG21  VAL  48          HG21      VAL  48  -5.779  -1.481   0.683
  279   HG22  VAL  48          HG22      VAL  48  -6.533  -1.047   2.217
  280   HG23  VAL  48          HG23      VAL  48  -7.026  -0.236   0.732
  281    H    ASN  49           HN       ASN  49  -9.117  -4.233   2.925
  282    HA   ASN  49           HA       ASN  49 -10.049  -6.537   1.404
  283    HB2  ASN  49           HB2      ASN  49 -10.781  -5.484   4.139
  284    HB3  ASN  49           HB1      ASN  49 -11.615  -6.831   3.375
  285   HD21  ASN  49          HD21      ASN  49 -10.542  -8.787   3.107
  286   HD22  ASN  49          HD22      ASN  49  -9.098  -9.161   3.984
  287    H    THR  50           HN       THR  50 -10.844  -5.400  -0.318
  288    HA   THR  50           HA       THR  50 -12.948  -3.450  -0.029
  289    HB   THR  50           HB       THR  50 -13.410  -3.838  -2.473
  290    HG1  THR  50           HG1      THR  50 -11.322  -5.729  -2.080
  291   HG21  THR  50          HG21      THR  50 -11.930  -2.069  -1.749
  292   HG22  THR  50          HG22      THR  50 -11.302  -2.806  -3.224
  293   HG23  THR  50          HG23      THR  50 -10.577  -3.196  -1.663
  294    H    SER  51           HN       SER  51 -14.853  -3.775   0.589
  295    HA   SER  51           HA       SER  51 -15.816  -6.155   1.508
  296    HB2  SER  51           HB2      SER  51 -18.004  -4.927   1.635
  297    HB3  SER  51           HB1      SER  51 -16.614  -4.073   2.311
  298    HG   SER  51           HG       SER  51 -18.075  -3.536  -0.016
  299    H    ASP  52           HN       ASP  52 -16.105  -4.923  -1.765
  300    HA   ASP  52           HA       ASP  52 -18.122  -6.957  -2.342
  301    HB2  ASP  52           HB2      ASP  52 -18.663  -5.801  -4.305
  302    HB3  ASP  52           HB1      ASP  52 -18.375  -4.546  -3.111
  303    H    ARG  53           HN       ARG  53 -14.742  -6.739  -2.491
  304    HA   ARG  53           HA       ARG  53 -14.713  -8.871  -4.525
  305    HB2  ARG  53           HB2      ARG  53 -12.742  -6.605  -4.209
  306    HB3  ARG  53           HB1      ARG  53 -12.435  -8.032  -5.185
  307    HG2  ARG  53           HG2      ARG  53 -14.314  -7.474  -6.620
  308    HG3  ARG  53           HG1      ARG  53 -14.658  -6.055  -5.626
  309    HD2  ARG  53           HD2      ARG  53 -12.511  -5.098  -6.183
  310    HD3  ARG  53           HD1      ARG  53 -12.063  -6.549  -7.078
  311    HE   ARG  53           HE       ARG  53 -14.415  -5.588  -8.201
  312   HH11  ARG  53          HH11      ARG  53 -11.126  -4.475  -7.774
  313   HH12  ARG  53          HH12      ARG  53 -11.108  -3.557  -9.243
  314   HH21  ARG  53          HH21      ARG  53 -14.402  -4.380 -10.126
  315   HH22  ARG  53          HH22      ARG  53 -12.975  -3.493 -10.588
  316    H    GLY  54           HN       GLY  54 -13.003  -7.382  -1.822
  317    HA2  GLY  54           HA2      GLY  54 -12.273  -8.874  -0.009
  318    HA3  GLY  54           HA1      GLY  54 -11.732  -9.968  -1.264
  319    H    TRP  55           HN       TRP  55  -9.639  -9.954  -0.355
  320    HA   TRP  55           HA       TRP  55  -8.009  -7.737  -0.030
  321    HB2  TRP  55           HB2      TRP  55  -7.516 -10.599  -0.647
  322    HB3  TRP  55           HB1      TRP  55  -6.186  -9.483  -0.915
  323    HD1  TRP  55           HD1      TRP  55  -6.980 -11.803   1.544
  324    HE1  TRP  55           HE1      TRP  55  -6.260 -11.096   3.913
  325    HE3  TRP  55           HE3      TRP  55  -6.427  -6.791   0.762
  326    HZ2  TRP  55           HZ2      TRP  55  -5.547  -8.711   5.252
  327    HZ3  TRP  55           HZ3      TRP  55  -5.724  -5.376   2.642
  328    HH2  TRP  55           HH2      TRP  55  -5.303  -6.308   4.841
  329    H    THR  56           HN       THR  56  -7.397  -6.213  -1.353
  330    HA   THR  56           HA       THR  56  -7.833  -6.326  -4.168
  331    HB   THR  56           HB       THR  56  -6.735  -4.106  -4.200
  332    HG1  THR  56           HG1      THR  56  -5.292  -3.922  -2.636
  333   HG21  THR  56          HG21      THR  56  -8.390  -2.942  -2.831
  334   HG22  THR  56          HG22      THR  56  -8.765  -4.449  -1.993
  335   HG23  THR  56          HG23      THR  56  -9.126  -4.280  -3.712
  336    H    ASP  57           HN       ASP  57  -6.168  -5.922  -5.800
  337    HA   ASP  57           HA       ASP  57  -3.919  -7.586  -5.649
  338    HB2  ASP  57           HB2      ASP  57  -4.460  -5.206  -7.429
  339    HB3  ASP  57           HB1      ASP  57  -3.081  -6.272  -7.629
  340    H    GLU  58           HN       GLU  58  -1.977  -7.317  -4.835
  341    HA   GLU  58           HA       GLU  58  -1.475  -5.352  -2.937
  342    HB2  GLU  58           HB2      GLU  58  -0.447  -7.650  -3.138
  343    HB3  GLU  58           HB1      GLU  58   0.630  -6.964  -4.335
  344    HG2  GLU  58           HG2      GLU  58   1.641  -5.545  -2.747
  345    HG3  GLU  58           HG1      GLU  58   0.400  -5.899  -1.543
  346    H    CYS  59           HN       CYS  59  -1.058  -3.343  -3.204
  347    HA   CYS  59           HA       CYS  59  -0.149  -2.335  -5.774
  348    HB2  CYS  59           HB2      CYS  59  -0.984  -0.818  -3.292
  349    HB3  CYS  59           HB1      CYS  59  -0.732  -0.134  -4.896
  350    HG   CYS  59           HG       CYS  59  -2.955  -2.625  -4.873
  351    H    ILE  60           HN       ILE  60   1.970  -2.727  -5.945
  352    HA   ILE  60           HA       ILE  60   3.841  -2.311  -3.823
  353    HB   ILE  60           HB       ILE  60   4.281  -2.712  -6.789
  354   HG12  ILE  60          HG12      ILE  60   3.063  -4.565  -5.668
  355   HG13  ILE  60          HG11      ILE  60   4.635  -5.042  -6.301
  356   HG21  ILE  60          HG21      ILE  60   6.215  -1.718  -5.752
  357   HG22  ILE  60          HG22      ILE  60   6.544  -3.400  -6.168
  358   HG23  ILE  60          HG23      ILE  60   6.202  -2.955  -4.498
  359   HD11  ILE  60          HD11      ILE  60   4.085  -4.333  -3.442
  360   HD12  ILE  60          HD12      ILE  60   5.592  -4.950  -4.107
  361   HD13  ILE  60          HD13      ILE  60   4.155  -5.973  -4.080
  362    H    GLY  61           HN       GLY  61   4.689  -0.438  -3.244
  363    HA2  GLY  61           HA2      GLY  61   4.302   1.941  -4.835
  364    HA3  GLY  61           HA1      GLY  61   5.072   1.850  -3.257
  365    H    GLU  62           HN       GLU  62   6.477   3.440  -4.460
  366    HA   GLU  62           HA       GLU  62   8.369   2.202  -6.288
  367    HB2  GLU  62           HB2      GLU  62   8.182   5.026  -5.214
  368    HB3  GLU  62           HB1      GLU  62   9.300   4.485  -6.460
  369    HG2  GLU  62           HG2      GLU  62   7.425   3.914  -7.905
  370    HG3  GLU  62           HG1      GLU  62   6.298   4.439  -6.659
  371    HA   PRO  63           HA       PRO  63  11.448   1.306  -3.219
  372    HB2  PRO  63           HB2      PRO  63  13.715   1.879  -4.657
  373    HB3  PRO  63           HB1      PRO  63  12.794   0.381  -4.822
  374    HG2  PRO  63           HG2      PRO  63  12.742   2.839  -6.524
  375    HG3  PRO  63           HG1      PRO  63  12.696   1.136  -7.012
  376    HD2  PRO  63           HD2      PRO  63  10.484   2.665  -6.955
  377    HD3  PRO  63           HD1      PRO  63  10.442   0.935  -6.558
  378    H    MET  64           HN       MET  64  11.581   2.688  -1.551
  379    HA   MET  64           HA       MET  64  12.395   5.468  -2.107
  380    HB2  MET  64           HB2      MET  64  10.572   4.471   0.081
  381    HB3  MET  64           HB1      MET  64  10.989   6.148  -0.239
  382    HG2  MET  64           HG2      MET  64   9.429   4.317  -2.042
  383    HG3  MET  64           HG1      MET  64   8.796   5.649  -1.085
  384    HE1  MET  64           HE1      MET  64  10.018   8.799  -2.877
  385    HE2  MET  64           HE2      MET  64  10.607   8.039  -1.398
  386    HE3  MET  64           HE3      MET  64   8.875   8.108  -1.725
  387    HA   PRO  65           HA       PRO  65  15.755   4.637   0.604
  388    HB2  PRO  65           HB2      PRO  65  16.596   7.124   1.153
  389    HB3  PRO  65           HB1      PRO  65  16.723   6.433  -0.469
  390    HG2  PRO  65           HG2      PRO  65  14.687   8.334   0.623
  391    HG3  PRO  65           HG1      PRO  65  15.511   8.360  -0.945
  392    HD2  PRO  65           HD2      PRO  65  12.974   7.395  -0.572
  393    HD3  PRO  65           HD1      PRO  65  14.056   6.851  -1.866
  394    H    SER  66           HN       SER  66  12.870   5.456   1.840
  395    HA   SER  66           HA       SER  66  13.803   5.172   4.554
  396    HB2  SER  66           HB2      SER  66  12.119   7.568   3.779
  397    HB3  SER  66           HB1      SER  66  12.664   7.156   5.399
  398    HG   SER  66           HG       SER  66  14.840   7.240   3.992
  399    H    VAL  67           HN       VAL  67  12.243   4.242   5.865
  400    HA   VAL  67           HA       VAL  67  10.405   2.630   4.430
  401    HB   VAL  67           HB       VAL  67   9.753   1.694   6.597
  402   HG11  VAL  67          HG11      VAL  67  12.727   2.093   6.314
  403   HG12  VAL  67          HG12      VAL  67  11.762   0.862   5.501
  404   HG13  VAL  67          HG13      VAL  67  11.942   0.826   7.255
  405   HG21  VAL  67          HG21      VAL  67  11.560   3.789   7.787
  406   HG22  VAL  67          HG22      VAL  67  10.754   2.489   8.662
  407   HG23  VAL  67          HG23      VAL  67   9.802   3.764   7.905
  408    H    LYS  68           HN       LYS  68   9.985   5.618   6.212
  409    HA   LYS  68           HA       LYS  68   7.181   5.343   6.598
  410    HB2  LYS  68           HB2      LYS  68   8.977   7.765   6.599
  411    HB3  LYS  68           HB1      LYS  68   7.257   7.844   6.950
  412    HG2  LYS  68           HG2      LYS  68   7.602   6.297   8.838
  413    HG3  LYS  68           HG1      LYS  68   9.336   6.324   8.510
  414    HD2  LYS  68           HD2      LYS  68   9.352   8.750   8.880
  415    HD3  LYS  68           HD1      LYS  68   7.625   8.700   9.236
  416    HE2  LYS  68           HE2      LYS  68   8.901   8.747  11.297
  417    HE3  LYS  68           HE1      LYS  68   8.072   7.202  11.128
  418    HZ1  LYS  68           HZ1      LYS  68  10.349   6.922  11.891
  419    HZ2  LYS  68           HZ2      LYS  68  10.934   7.692  10.506
  420    HZ3  LYS  68           HZ3      LYS  68  10.134   6.208  10.374
  421    H    LYS  69           HN       LYS  69   9.161   6.819   4.074
  422    HA   LYS  69           HA       LYS  69   6.827   7.784   2.684
  423    HB2  LYS  69           HB2      LYS  69   8.623   8.320   0.873
  424    HB3  LYS  69           HB1      LYS  69   8.534   9.282   2.339
  425    HG2  LYS  69           HG2      LYS  69  10.379   8.070   3.290
  426    HG3  LYS  69           HG1      LYS  69  10.431   6.993   1.896
  427    HD2  LYS  69           HD2      LYS  69  12.172   8.680   1.721
  428    HD3  LYS  69           HD1      LYS  69  10.970   8.909   0.452
  429    HE2  LYS  69           HE2      LYS  69  11.551  11.058   1.350
  430    HE3  LYS  69           HE1      LYS  69   9.907  10.669   1.849
  431    HZ1  LYS  69           HZ1      LYS  69  10.789   9.991   4.012
  432    HZ2  LYS  69           HZ2      LYS  69  11.143  11.605   3.674
  433    HZ3  LYS  69           HZ3      LYS  69  12.349  10.431   3.527
  434    H    ALA  70           HN       ALA  70   8.778   4.949   2.717
  435    HA   ALA  70           HA       ALA  70   8.164   3.848   0.242
  436    HB1  ALA  70           HB1      ALA  70   8.526   1.675   1.281
  437    HB2  ALA  70           HB2      ALA  70   8.391   2.403   2.882
  438    HB3  ALA  70           HB3      ALA  70   9.738   2.834   1.827
  439    H    LYS  71           HN       LYS  71   6.425   3.237   3.309
  440    HA   LYS  71           HA       LYS  71   4.159   2.027   2.327
  441    HB2  LYS  71           HB2      LYS  71   4.320   3.985   4.627
  442    HB3  LYS  71           HB1      LYS  71   3.043   2.804   4.366
  443    HG2  LYS  71           HG2      LYS  71   4.611   0.991   4.685
  444    HG3  LYS  71           HG1      LYS  71   5.939   2.142   4.850
  445    HD2  LYS  71           HD2      LYS  71   4.815   3.090   6.839
  446    HD3  LYS  71           HD1      LYS  71   3.567   1.851   6.695
  447    HE2  LYS  71           HE2      LYS  71   5.237   1.220   8.356
  448    HE3  LYS  71           HE1      LYS  71   5.256   0.112   6.985
  449    HZ1  LYS  71           HZ1      LYS  71   7.147   2.362   7.388
  450    HZ2  LYS  71           HZ2      LYS  71   7.186   1.248   6.116
  451    HZ3  LYS  71           HZ3      LYS  71   7.490   0.736   7.698
  452    H    ASP  72           HN       ASP  72   4.736   5.480   2.852
  453    HA   ASP  72           HA       ASP  72   2.385   6.576   2.007
  454    HB2  ASP  72           HB2      ASP  72   4.195   7.920   2.902
  455    HB3  ASP  72           HB1      ASP  72   5.183   7.584   1.484
  456    H    SER  73           HN       SER  73   5.140   5.705  -0.115
  457    HA   SER  73           HA       SER  73   3.993   6.633  -2.491
  458    HB2  SER  73           HB2      SER  73   6.381   6.157  -2.288
  459    HB3  SER  73           HB1      SER  73   6.040   4.445  -2.035
  460    HG   SER  73           HG       SER  73   5.151   5.771  -4.362
  461    H    ALA  74           HN       ALA  74   3.884   3.429  -0.959
  462    HA   ALA  74           HA       ALA  74   2.537   2.177  -3.143
  463    HB1  ALA  74           HB1      ALA  74   2.272   0.303  -1.685
  464    HB2  ALA  74           HB2      ALA  74   2.564   1.301  -0.259
  465    HB3  ALA  74           HB3      ALA  74   3.874   0.989  -1.404
  466    H    ALA  75           HN       ALA  75   1.478   3.428  -0.029
  467    HA   ALA  75           HA       ALA  75  -1.227   2.859  -0.161
  468    HB1  ALA  75           HB1      ALA  75  -1.547   4.633   1.480
  469    HB2  ALA  75           HB2      ALA  75   0.071   5.247   1.139
  470    HB3  ALA  75           HB3      ALA  75  -0.133   3.652   1.861
  471    H    VAL  76           HN       VAL  76   0.513   5.574  -1.662
  472    HA   VAL  76           HA       VAL  76  -1.855   7.038  -2.268
  473    HB   VAL  76           HB       VAL  76   0.580   7.902  -2.136
  474   HG11  VAL  76          HG11      VAL  76   1.555   6.481  -3.801
  475   HG12  VAL  76          HG12      VAL  76   1.644   8.161  -4.338
  476   HG13  VAL  76          HG13      VAL  76   0.425   7.078  -5.013
  477   HG21  VAL  76          HG21      VAL  76  -1.325   8.860  -4.265
  478   HG22  VAL  76          HG22      VAL  76   0.010   9.795  -3.594
  479   HG23  VAL  76          HG23      VAL  76  -1.340   9.322  -2.563
  480    H    LEU  77           HN       LEU  77  -0.056   4.533  -3.836
  481    HA   LEU  77           HA       LEU  77  -1.452   4.723  -6.342
  482    HB2  LEU  77           HB2      LEU  77   0.191   2.471  -5.176
  483    HB3  LEU  77           HB1      LEU  77  -0.352   2.587  -6.835
  484    HG   LEU  77           HG       LEU  77   1.575   4.490  -5.505
  485   HD11  LEU  77          HD11      LEU  77   2.052   2.314  -7.534
  486   HD12  LEU  77          HD12      LEU  77   2.540   2.276  -5.840
  487   HD13  LEU  77          HD13      LEU  77   3.256   3.456  -6.938
  488   HD21  LEU  77          HD21      LEU  77   0.271   5.586  -7.233
  489   HD22  LEU  77          HD22      LEU  77   0.634   4.282  -8.362
  490   HD23  LEU  77          HD23      LEU  77   1.926   5.334  -7.786
  491    H    LEU  78           HN       LEU  78  -1.714   2.979  -3.351
  492    HA   LEU  78           HA       LEU  78  -3.800   1.206  -3.991
  493    HB2  LEU  78           HB2      LEU  78  -2.514   0.965  -1.989
  494    HB3  LEU  78           HB1      LEU  78  -2.964   2.565  -1.448
  495    HG   LEU  78           HG       LEU  78  -5.345   1.715  -1.309
  496   HD11  LEU  78          HD11      LEU  78  -5.000  -0.267  -2.729
  497   HD12  LEU  78          HD12      LEU  78  -5.657  -0.677  -1.146
  498   HD13  LEU  78          HD13      LEU  78  -3.949  -0.952  -1.489
  499   HD21  LEU  78          HD21      LEU  78  -3.751   2.077   0.589
  500   HD22  LEU  78          HD22      LEU  78  -3.337   0.367   0.486
  501   HD23  LEU  78          HD23      LEU  78  -4.987   0.850   0.887
  502    H    LEU  79           HN       LEU  79  -3.755   4.567  -2.982
  503    HA   LEU  79           HA       LEU  79  -6.513   4.927  -2.638
  504    HB2  LEU  79           HB2      LEU  79  -4.180   6.669  -3.035
  505    HB3  LEU  79           HB1      LEU  79  -5.709   7.364  -3.526
  506    HG   LEU  79           HG       LEU  79  -5.123   7.975  -1.222
  507   HD11  LEU  79          HD11      LEU  79  -7.236   7.383  -0.175
  508   HD12  LEU  79          HD12      LEU  79  -7.498   6.130  -1.386
  509   HD13  LEU  79          HD13      LEU  79  -7.474   7.826  -1.865
  510   HD21  LEU  79          HD21      LEU  79  -3.860   5.942  -0.651
  511   HD22  LEU  79          HD22      LEU  79  -5.371   5.030  -0.626
  512   HD23  LEU  79          HD23      LEU  79  -5.100   6.319   0.547
  513    H    GLU  80           HN       GLU  80  -4.630   4.615  -5.538
  514    HA   GLU  80           HA       GLU  80  -6.543   5.699  -7.347
  515    HB2  GLU  80           HB2      GLU  80  -4.530   3.497  -7.840
  516    HB3  GLU  80           HB1      GLU  80  -5.350   4.456  -9.068
  517    HG2  GLU  80           HG2      GLU  80  -4.196   6.458  -8.237
  518    HG3  GLU  80           HG1      GLU  80  -3.343   5.455  -7.063
  519    H    LEU  81           HN       LEU  81  -5.981   2.574  -5.907
  520    HA   LEU  81           HA       LEU  81  -7.882   1.088  -7.400
  521    HB2  LEU  81           HB2      LEU  81  -5.861   0.534  -5.666
  522    HB3  LEU  81           HB1      LEU  81  -7.252   0.280  -4.641
  523    HG   LEU  81           HG       LEU  81  -6.877  -1.080  -7.293
  524   HD11  LEU  81          HD11      LEU  81  -5.068  -1.670  -5.755
  525   HD12  LEU  81          HD12      LEU  81  -6.155  -3.032  -6.038
  526   HD13  LEU  81          HD13      LEU  81  -6.259  -2.116  -4.534
  527   HD21  LEU  81          HD21      LEU  81  -8.563  -2.640  -6.412
  528   HD22  LEU  81          HD22      LEU  81  -9.186  -0.995  -6.546
  529   HD23  LEU  81          HD23      LEU  81  -8.719  -1.635  -4.970
  530    H    LEU  82           HN       LEU  82  -7.956   2.933  -4.467
  531    HA   LEU  82           HA       LEU  82 -10.693   2.385  -3.905
  532    HB2  LEU  82           HB2      LEU  82  -8.543   4.045  -2.713
  533    HB3  LEU  82           HB1      LEU  82 -10.200   4.465  -2.326
  534    HG   LEU  82           HG       LEU  82 -10.583   2.440  -1.224
  535   HD11  LEU  82          HD11      LEU  82  -8.016   1.377  -2.380
  536   HD12  LEU  82          HD12      LEU  82  -9.647   0.922  -2.875
  537   HD13  LEU  82          HD13      LEU  82  -9.076   0.526  -1.254
  538   HD21  LEU  82          HD21      LEU  82  -7.737   3.220  -0.633
  539   HD22  LEU  82          HD22      LEU  82  -8.798   2.300   0.433
  540   HD23  LEU  82          HD23      LEU  82  -9.181   3.975   0.041
  541    H    ASN  83           HN       ASN  83  -9.284   4.290  -6.192
  542    HA   ASN  83           HA       ASN  83 -11.564   6.151  -6.189
  543    HB2  ASN  83           HB2      ASN  83  -9.389   7.285  -6.080
  544    HB3  ASN  83           HB1      ASN  83  -8.863   6.435  -7.528
  545   HD21  ASN  83          HD21      ASN  83 -11.004   8.879  -6.262
  546   HD22  ASN  83          HD22      ASN  83 -11.326   9.660  -7.771
  547    H    LYS  84           HN       LYS  84 -10.138   3.511  -7.657
  548    HA   LYS  84           HA       LYS  84 -12.024   3.533  -9.877
  549    HB2  LYS  84           HB2      LYS  84  -9.025   3.457 -10.207
  550    HB3  LYS  84           HB1      LYS  84 -10.124   2.851 -11.437
  551    HG2  LYS  84           HG2      LYS  84 -11.081   5.019 -11.740
  552    HG3  LYS  84           HG1      LYS  84 -10.170   5.656 -10.370
  553    HD2  LYS  84           HD2      LYS  84  -8.078   5.245 -11.572
  554    HD3  LYS  84           HD1      LYS  84  -8.986   4.583 -12.933
  555    HE2  LYS  84           HE2      LYS  84  -8.397   6.840 -13.453
  556    HE3  LYS  84           HE1      LYS  84 -10.131   6.776 -13.154
  557    HZ1  LYS  84           HZ1      LYS  84  -9.724   7.622 -10.913
  558    HZ2  LYS  84           HZ2      LYS  84  -9.152   8.688 -12.096
  559    HZ3  LYS  84           HZ3      LYS  84  -8.067   7.713 -11.243
  560    H    THR  85           HN       THR  85 -12.185   1.322 -10.834
  561    HA   THR  85           HA       THR  85 -11.174  -0.891  -9.459
  562    HB   THR  85           HB       THR  85 -13.623  -1.282  -8.342
  563    HG1  THR  85           HG1      THR  85 -13.023   1.396  -7.640
  564   HG21  THR  85          HG21      THR  85 -12.563  -0.851  -6.183
  565   HG22  THR  85          HG22      THR  85 -11.272   0.057  -6.974
  566   HG23  THR  85          HG23      THR  85 -11.442  -1.678  -7.265
  Start of MODEL    5
    1    H1   ASN  15           HT1      ASN  15  -6.616   5.097   4.579
    2    H2   ASN  15           HT2      ASN  15  -5.315   4.504   5.474
    3    H3   ASN  15           HT3      ASN  15  -6.142   5.879   6.002
    4    HA   ASN  15           HA       ASN  15  -7.253   3.143   5.811
    5    HB2  ASN  15           HB2      ASN  15  -7.400   3.380   8.330
    6    HB3  ASN  15           HB1      ASN  15  -5.777   3.197   7.678
    7   HD21  ASN  15          HD21      ASN  15  -4.908   4.112   9.552
    8   HD22  ASN  15          HD22      ASN  15  -4.980   5.818   9.849
    9    H    ASP  16           HN       ASP  16  -7.895   6.480   5.721
   10    HA   ASP  16           HA       ASP  16 -10.340   6.447   7.215
   11    HB2  ASP  16           HB2      ASP  16 -10.569   8.782   6.343
   12    HB3  ASP  16           HB1      ASP  16  -9.059   8.475   7.192
   13    H    ILE  17           HN       ILE  17  -9.524   6.559   3.730
   14    HA   ILE  17           HA       ILE  17 -12.181   6.531   2.822
   15    HB   ILE  17           HB       ILE  17  -9.663   5.519   1.509
   16   HG12  ILE  17          HG12      ILE  17 -10.208   7.494  -0.015
   17   HG13  ILE  17          HG11      ILE  17 -11.386   7.967   1.201
   18   HG21  ILE  17          HG21      ILE  17 -11.520   4.201   0.646
   19   HG22  ILE  17          HG22      ILE  17 -10.933   5.326  -0.579
   20   HG23  ILE  17          HG23      ILE  17 -12.421   5.676   0.299
   21   HD11  ILE  17          HD11      ILE  17  -8.435   7.673   1.640
   22   HD12  ILE  17          HD12      ILE  17  -9.629   8.147   2.851
   23   HD13  ILE  17          HD13      ILE  17  -9.320   9.190   1.459
   24    H    CYS  18           HN       CYS  18  -9.968   3.974   3.739
   25    HA   CYS  18           HA       CYS  18 -11.536   1.778   2.907
   26    HB2  CYS  18           HB2      CYS  18  -9.478   1.940   5.124
   27    HB3  CYS  18           HB1      CYS  18 -10.072   0.457   4.390
   28    HG   CYS  18           HG       CYS  18  -8.750   0.618   2.094
   29    H    LEU  19           HN       LEU  19 -11.251   3.560   5.898
   30    HA   LEU  19           HA       LEU  19 -12.897   1.952   7.516
   31    HB2  LEU  19           HB2      LEU  19 -11.290   3.719   8.229
   32    HB3  LEU  19           HB1      LEU  19 -12.444   4.917   7.706
   33    HG   LEU  19           HG       LEU  19 -14.057   4.090   9.378
   34   HD11  LEU  19          HD11      LEU  19 -13.285   2.539  11.121
   35   HD12  LEU  19          HD12      LEU  19 -11.794   2.281  10.216
   36   HD13  LEU  19          HD13      LEU  19 -13.339   1.779   9.531
   37   HD21  LEU  19          HD21      LEU  19 -12.914   4.976  11.328
   38   HD22  LEU  19          HD22      LEU  19 -12.522   5.934   9.898
   39   HD23  LEU  19          HD23      LEU  19 -11.356   4.772  10.529
   40    H    ARG  20           HN       ARG  20 -13.535   4.846   5.583
   41    HA   ARG  20           HA       ARG  20 -16.250   5.117   6.264
   42    HB2  ARG  20           HB2      ARG  20 -14.763   6.854   5.211
   43    HB3  ARG  20           HB1      ARG  20 -14.933   5.983   3.693
   44    HG2  ARG  20           HG2      ARG  20 -17.379   6.327   3.821
   45    HG3  ARG  20           HG1      ARG  20 -17.130   7.300   5.273
   46    HD2  ARG  20           HD2      ARG  20 -16.075   7.864   2.507
   47    HD3  ARG  20           HD1      ARG  20 -17.336   8.752   3.361
   48    HE   ARG  20           HE       ARG  20 -15.100   8.852   4.975
   49   HH11  ARG  20          HH11      ARG  20 -15.978   9.920   1.759
   50   HH12  ARG  20          HH12      ARG  20 -14.855  11.244   1.757
   51   HH21  ARG  20          HH21      ARG  20 -13.621  10.573   4.969
   52   HH22  ARG  20          HH22      ARG  20 -13.504  11.605   3.578
   53    H    LYS  21           HN       LYS  21 -14.598   3.286   3.765
   54    HA   LYS  21           HA       LYS  21 -16.983   2.557   2.358
   55    HB2  LYS  21           HB2      LYS  21 -14.116   1.677   2.255
   56    HB3  LYS  21           HB1      LYS  21 -15.357   0.827   1.338
   57    HG2  LYS  21           HG2      LYS  21 -14.721   3.761   1.111
   58    HG3  LYS  21           HG1      LYS  21 -14.191   2.504  -0.008
   59    HD2  LYS  21           HD2      LYS  21 -17.091   2.907   0.619
   60    HD3  LYS  21           HD1      LYS  21 -16.279   3.869  -0.603
   61    HE2  LYS  21           HE2      LYS  21 -16.279   0.863  -0.594
   62    HE3  LYS  21           HE1      LYS  21 -17.483   1.826  -1.449
   63    HZ1  LYS  21           HZ1      LYS  21 -14.555   1.969  -1.921
   64    HZ2  LYS  21           HZ2      LYS  21 -15.752   2.798  -2.780
   65    HZ3  LYS  21           HZ3      LYS  21 -15.652   1.114  -2.883
   66    H    ASN  22           HN       ASN  22 -16.035   1.807   5.316
   67    HA   ASN  22           HA       ASN  22 -16.631   0.275   6.862
   68    HB2  ASN  22           HB2      ASN  22 -18.853   0.405   5.699
   69    HB3  ASN  22           HB1      ASN  22 -18.364  -0.977   4.727
   70   HD21  ASN  22          HD21      ASN  22 -19.962  -2.316   5.485
   71   HD22  ASN  22          HD22      ASN  22 -19.990  -2.929   7.102
   72    H    TRP  23           HN       TRP  23 -14.319  -0.074   5.332
   73    HA   TRP  23           HA       TRP  23 -14.080  -2.997   5.176
   74    HB2  TRP  23           HB2      TRP  23 -12.175  -0.824   4.272
   75    HB3  TRP  23           HB1      TRP  23 -11.890  -2.548   4.107
   76    HD1  TRP  23           HD1      TRP  23 -15.019  -3.077   3.052
   77    HE1  TRP  23           HE1      TRP  23 -15.483  -2.516   0.568
   78    HE3  TRP  23           HE3      TRP  23 -11.091   0.050   2.189
   79    HZ2  TRP  23           HZ2      TRP  23 -14.293  -0.966  -1.483
   80    HZ3  TRP  23           HZ3      TRP  23 -10.818   1.036  -0.039
   81    HH2  TRP  23           HH2      TRP  23 -12.392   0.542  -1.837
   82    HA   PRO  24           HA       PRO  24 -11.573  -2.944   8.905
   83    HB2  PRO  24           HB2      PRO  24  -9.918  -5.024   8.420
   84    HB3  PRO  24           HB1      PRO  24 -11.614  -5.245   8.861
   85    HG2  PRO  24           HG2      PRO  24 -10.333  -5.332   6.164
   86    HG3  PRO  24           HG1      PRO  24 -11.566  -6.403   6.850
   87    HD2  PRO  24           HD2      PRO  24 -12.155  -4.392   5.122
   88    HD3  PRO  24           HD1      PRO  24 -13.280  -4.931   6.384
   89    H    MET  25           HN       MET  25  -8.958  -3.319   9.295
   90    HA   MET  25           HA       MET  25  -7.794  -1.088   7.954
   91    HB2  MET  25           HB2      MET  25  -6.594  -3.081   9.873
   92    HB3  MET  25           HB1      MET  25  -5.860  -1.559   9.386
   93    HG2  MET  25           HG2      MET  25  -8.523  -1.744  10.755
   94    HG3  MET  25           HG1      MET  25  -7.005  -1.556  11.610
   95    HE1  MET  25           HE1      MET  25  -9.350   1.669   9.367
   96    HE2  MET  25           HE2      MET  25  -9.969   0.197  10.114
   97    HE3  MET  25           HE3      MET  25  -9.081   0.109   8.596
   98    HA   PRO  26           HA       PRO  26  -5.947  -3.302   4.633
   99    HB2  PRO  26           HB2      PRO  26  -3.959  -1.239   4.312
  100    HB3  PRO  26           HB1      PRO  26  -5.379  -1.558   3.324
  101    HG2  PRO  26           HG2      PRO  26  -5.105   0.660   4.890
  102    HG3  PRO  26           HG1      PRO  26  -6.670  -0.050   4.457
  103    HD2  PRO  26           HD2      PRO  26  -5.106  -0.305   6.995
  104    HD3  PRO  26           HD1      PRO  26  -6.857  -0.125   6.757
  105    H    SER  27           HN       SER  27  -3.949  -4.168   3.854
  106    HA   SER  27           HA       SER  27  -2.186  -5.038   5.976
  107    HB2  SER  27           HB2      SER  27  -2.939  -6.628   4.258
  108    HB3  SER  27           HB1      SER  27  -2.179  -5.644   3.014
  109    HG   SER  27           HG       SER  27  -0.371  -6.600   3.435
  110    H    TYR  28           HN       TYR  28   0.002  -4.585   6.139
  111    HA   TYR  28           HA       TYR  28   1.215  -2.784   4.244
  112    HB2  TYR  28           HB2      TYR  28   0.716  -2.021   7.116
  113    HB3  TYR  28           HB1      TYR  28   2.035  -1.318   6.190
  114    HD1  TYR  28           HD1      TYR  28   1.577   0.210   4.318
  115    HD2  TYR  28           HD2      TYR  28  -1.585  -1.411   6.675
  116    HE1  TYR  28           HE1      TYR  28   0.048   1.907   3.421
  117    HE2  TYR  28           HE2      TYR  28  -3.120   0.290   5.784
  118    HH   TYR  28           HH       TYR  28  -2.349   2.246   3.103
  119    H    ARG  29           HN       ARG  29   3.022  -3.917   3.785
  120    HA   ARG  29           HA       ARG  29   4.848  -4.656   5.882
  121    HB2  ARG  29           HB2      ARG  29   3.294  -6.573   5.845
  122    HB3  ARG  29           HB1      ARG  29   3.628  -6.788   4.136
  123    HG2  ARG  29           HG2      ARG  29   6.033  -7.139   4.744
  124    HG3  ARG  29           HG1      ARG  29   5.523  -7.161   6.433
  125    HD2  ARG  29           HD2      ARG  29   4.631  -9.033   4.252
  126    HD3  ARG  29           HD1      ARG  29   5.696  -9.418   5.600
  127    HE   ARG  29           HE       ARG  29   3.126  -8.443   6.432
  128   HH11  ARG  29          HH11      ARG  29   4.926 -11.272   5.437
  129   HH12  ARG  29          HH12      ARG  29   3.840 -12.390   6.198
  130   HH21  ARG  29          HH21      ARG  29   1.693  -9.901   7.437
  131   HH22  ARG  29          HH22      ARG  29   1.992 -11.608   7.338
  132    H    CYS  30           HN       CYS  30   6.857  -4.351   5.139
  133    HA   CYS  30           HA       CYS  30   7.394  -3.573   2.494
  134    HB2  CYS  30           HB2      CYS  30   9.306  -4.550   4.618
  135    HB3  CYS  30           HB1      CYS  30   9.762  -3.696   3.148
  136    HG   CYS  30           HG       CYS  30   9.990  -1.937   5.285
  137    H    VAL  31           HN       VAL  31   7.668  -4.740   0.716
  138    HA   VAL  31           HA       VAL  31   7.824  -7.623   0.935
  139    HB   VAL  31           HB       VAL  31   7.663  -7.642  -1.515
  140   HG11  VAL  31          HG11      VAL  31   5.610  -5.928  -0.134
  141   HG12  VAL  31          HG12      VAL  31   5.635  -7.690  -0.184
  142   HG13  VAL  31          HG13      VAL  31   5.365  -6.768  -1.665
  143   HG21  VAL  31          HG21      VAL  31   8.807  -5.566  -2.039
  144   HG22  VAL  31          HG22      VAL  31   7.501  -4.645  -1.295
  145   HG23  VAL  31          HG23      VAL  31   7.196  -5.586  -2.754
  146    H    LYS  32           HN       LYS  32   9.810  -4.902  -0.025
  147    HA   LYS  32           HA       LYS  32  12.152  -6.661   0.047
  148    HB2  LYS  32           HB2      LYS  32  11.490  -6.079  -2.318
  149    HB3  LYS  32           HB1      LYS  32  11.745  -4.396  -1.897
  150    HG2  LYS  32           HG2      LYS  32  14.105  -4.956  -1.346
  151    HG3  LYS  32           HG1      LYS  32  13.808  -6.571  -1.993
  152    HD2  LYS  32           HD2      LYS  32  13.086  -5.486  -4.133
  153    HD3  LYS  32           HD1      LYS  32  13.632  -3.948  -3.466
  154    HE2  LYS  32           HE2      LYS  32  15.361  -4.858  -4.871
  155    HE3  LYS  32           HE1      LYS  32  15.889  -4.912  -3.189
  156    HZ1  LYS  32           HZ1      LYS  32  14.755  -7.202  -4.699
  157    HZ2  LYS  32           HZ2      LYS  32  15.317  -7.245  -3.106
  158    HZ3  LYS  32           HZ3      LYS  32  16.397  -6.963  -4.374
  159    H    GLU  33           HN       GLU  33  13.359  -5.947   1.667
  160    HA   GLU  33           HA       GLU  33  13.913  -3.116   1.991
  161    HB2  GLU  33           HB2      GLU  33  11.883  -3.486   3.348
  162    HB3  GLU  33           HB1      GLU  33  12.720  -4.744   4.244
  163    HG2  GLU  33           HG2      GLU  33  14.392  -2.979   4.914
  164    HG3  GLU  33           HG1      GLU  33  13.276  -1.793   4.237
  165    H    GLY  34           HN       GLY  34  15.983  -2.808   2.576
  166    HA2  GLY  34           HA2      GLY  34  18.076  -3.165   3.425
  167    HA3  GLY  34           HA1      GLY  34  17.282  -4.152   4.637
  168    H    GLY  35           HN       GLY  35  18.145  -4.383   1.186
  169    HA2  GLY  35           HA2      GLY  35  18.838  -7.196   1.612
  170    HA3  GLY  35           HA1      GLY  35  18.714  -6.387   0.059
  171    HA   PRO  36           HA       PRO  36  23.213  -6.908   0.945
  172    HB2  PRO  36           HB2      PRO  36  23.366  -7.230  -1.971
  173    HB3  PRO  36           HB1      PRO  36  23.905  -8.322  -0.697
  174    HG2  PRO  36           HG2      PRO  36  21.784  -8.892  -2.235
  175    HG3  PRO  36           HG1      PRO  36  21.848  -9.354  -0.523
  176    HD2  PRO  36           HD2      PRO  36  20.443  -7.035  -1.805
  177    HD3  PRO  36           HD1      PRO  36  19.860  -8.148  -0.548
  178    H    ALA  37           HN       ALA  37  22.775  -4.495   1.323
  179    HA   ALA  37           HA       ALA  37  23.671  -2.418   1.155
  180    HB1  ALA  37           HB1      ALA  37  25.753  -3.529   0.540
  181    HB2  ALA  37           HB2      ALA  37  25.562  -1.997  -0.313
  182    HB3  ALA  37           HB3      ALA  37  25.263  -3.518  -1.154
  183    H    HIS  38           HN       HIS  38  23.372  -3.482  -2.242
  184    HA   HIS  38           HA       HIS  38  22.463  -0.921  -3.125
  185    HB2  HIS  38           HB2      HIS  38  22.184  -1.976  -5.306
  186    HB3  HIS  38           HB1      HIS  38  23.711  -2.469  -4.593
  187    HD1  HIS  38           HD1      HIS  38  23.991  -4.962  -3.988
  188    HD2  HIS  38           HD2      HIS  38  20.268  -4.028  -5.590
  189    HE1  HIS  38           HE1      HIS  38  22.888  -7.167  -4.472
  190    HE2  HIS  38           HE2      HIS  38  20.736  -6.570  -5.640
  191    H    ALA  39           HN       ALA  39  20.862  -2.790  -1.175
  192    HA   ALA  39           HA       ALA  39  18.271  -2.302  -2.460
  193    HB1  ALA  39           HB1      ALA  39  17.427  -4.405  -1.510
  194    HB2  ALA  39           HB2      ALA  39  19.048  -4.771  -0.921
  195    HB3  ALA  39           HB3      ALA  39  18.743  -4.670  -2.654
  196    H    LYS  40           HN       LYS  40  19.634  -0.608  -0.597
  197    HA   LYS  40           HA       LYS  40  17.933  -0.812   1.747
  198    HB2  LYS  40           HB2      LYS  40  20.230   0.907   0.960
  199    HB3  LYS  40           HB1      LYS  40  19.164   1.419   2.226
  200    HG2  LYS  40           HG2      LYS  40  20.635  -1.196   2.213
  201    HG3  LYS  40           HG1      LYS  40  21.205   0.261   3.028
  202    HD2  LYS  40           HD2      LYS  40  18.564  -1.079   3.594
  203    HD3  LYS  40           HD1      LYS  40  20.033  -1.359   4.523
  204    HE2  LYS  40           HE2      LYS  40  18.697   1.322   4.166
  205    HE3  LYS  40           HE1      LYS  40  18.507   0.283   5.573
  206    HZ1  LYS  40           HZ1      LYS  40  21.063   1.472   4.639
  207    HZ2  LYS  40           HZ2      LYS  40  20.879   0.480   5.994
  208    HZ3  LYS  40           HZ3      LYS  40  20.150   2.007   5.957
  209    H    ARG  41           HN       ARG  41  17.599   0.021  -1.293
  210    HA   ARG  41           HA       ARG  41  15.631   2.106  -0.838
  211    HB2  ARG  41           HB2      ARG  41  14.908   1.195  -3.233
  212    HB3  ARG  41           HB1      ARG  41  16.267   2.289  -3.046
  213    HG2  ARG  41           HG2      ARG  41  17.819   0.439  -3.151
  214    HG3  ARG  41           HG1      ARG  41  16.485  -0.713  -3.190
  215    HD2  ARG  41           HD2      ARG  41  15.790   0.070  -5.340
  216    HD3  ARG  41           HD1      ARG  41  16.942   1.404  -5.282
  217    HE   ARG  41           HE       ARG  41  18.681  -0.467  -5.213
  218   HH11  ARG  41          HH11      ARG  41  15.604  -0.756  -6.869
  219   HH12  ARG  41          HH12      ARG  41  16.213  -1.843  -8.070
  220   HH21  ARG  41          HH21      ARG  41  19.483  -1.898  -6.806
  221   HH22  ARG  41          HH22      ARG  41  18.414  -2.496  -8.034
  222    H    PHE  42           HN       PHE  42  13.492   1.694  -0.440
  223    HA   PHE  42           HA       PHE  42  12.984  -1.130   0.196
  224    HB2  PHE  42           HB2      PHE  42  11.644   1.235   1.507
  225    HB3  PHE  42           HB1      PHE  42  11.668  -0.436   2.057
  226    HD1  PHE  42           HD1      PHE  42  14.587  -1.040   1.770
  227    HD2  PHE  42           HD2      PHE  42  12.567   2.389   3.280
  228    HE1  PHE  42           HE1      PHE  42  16.550  -0.506   3.170
  229    HE2  PHE  42           HE2      PHE  42  14.502   2.913   4.691
  230    HZ   PHE  42           HZ       PHE  42  16.494   1.466   4.647
  231    H    THR  43           HN       THR  43  11.263  -2.098  -0.567
  232    HA   THR  43           HA       THR  43   9.351  -0.514  -2.147
  233    HB   THR  43           HB       THR  43  10.289  -3.317  -2.814
  234    HG1  THR  43           HG1      THR  43  11.686  -1.113  -3.066
  235   HG21  THR  43          HG21      THR  43   8.781  -1.246  -4.412
  236   HG22  THR  43          HG22      THR  43   8.102  -2.712  -3.703
  237   HG23  THR  43          HG23      THR  43   9.290  -2.827  -5.002
  238    H    PHE  44           HN       PHE  44   7.179  -0.996  -1.662
  239    HA   PHE  44           HA       PHE  44   6.669  -3.310   0.015
  240    HB2  PHE  44           HB2      PHE  44   6.828  -1.973   1.848
  241    HB3  PHE  44           HB1      PHE  44   6.782  -0.504   0.887
  242    HD1  PHE  44           HD2      PHE  44   4.591  -3.195   2.191
  243    HD2  PHE  44           HD1      PHE  44   4.942   0.850   0.963
  244    HE1  PHE  44           HE2      PHE  44   2.285  -2.788   2.890
  245    HE2  PHE  44           HE1      PHE  44   2.636   1.267   1.685
  246    HZ   PHE  44           HZ       PHE  44   1.304  -0.556   2.658
  247    H    GLY  45           HN       GLY  45   4.371  -3.850   0.079
  248    HA2  GLY  45           HA2      GLY  45   2.780  -2.474  -1.991
  249    HA3  GLY  45           HA1      GLY  45   2.847  -4.228  -1.895
  250    H    VAL  46           HN       VAL  46   0.619  -2.190  -1.565
  251    HA   VAL  46           HA       VAL  46  -0.182  -2.764   1.222
  252    HB   VAL  46           HB       VAL  46  -1.725  -0.904  -0.533
  253   HG11  VAL  46          HG11      VAL  46  -2.632  -1.389   1.624
  254   HG12  VAL  46          HG12      VAL  46  -2.053   0.277   1.621
  255   HG13  VAL  46          HG13      VAL  46  -1.107  -0.984   2.408
  256   HG21  VAL  46          HG21      VAL  46  -0.312   0.990   0.175
  257   HG22  VAL  46          HG22      VAL  46   0.500  -0.126  -0.922
  258   HG23  VAL  46          HG23      VAL  46   0.864  -0.166   0.801
  259    H    ARG  47           HN       ARG  47  -2.431  -3.425   1.603
  260    HA   ARG  47           HA       ARG  47  -3.877  -4.410  -0.729
  261    HB2  ARG  47           HB2      ARG  47  -2.326  -6.135   0.688
  262    HB3  ARG  47           HB1      ARG  47  -3.786  -6.153   1.664
  263    HG2  ARG  47           HG2      ARG  47  -4.123  -7.923   0.265
  264    HG3  ARG  47           HG1      ARG  47  -4.992  -6.622  -0.551
  265    HD2  ARG  47           HD2      ARG  47  -3.687  -7.868  -2.163
  266    HD3  ARG  47           HD1      ARG  47  -3.026  -6.245  -1.988
  267    HE   ARG  47           HE       ARG  47  -1.114  -7.134  -1.031
  268   HH11  ARG  47          HH11      ARG  47  -3.517  -9.640  -1.485
  269   HH12  ARG  47          HH12      ARG  47  -2.406 -10.937  -1.195
  270   HH21  ARG  47          HH21      ARG  47   0.368  -8.833  -0.689
  271   HH22  ARG  47          HH22      ARG  47  -0.193 -10.480  -0.744
  272    H    VAL  48           HN       VAL  48  -6.108  -4.394  -0.362
  273    HA   VAL  48           HA       VAL  48  -7.018  -3.620   2.337
  274    HB   VAL  48           HB       VAL  48  -8.062  -2.442  -0.255
  275   HG11  VAL  48          HG11      VAL  48  -9.427  -1.003   1.193
  276   HG12  VAL  48          HG12      VAL  48  -8.866  -1.906   2.600
  277   HG13  VAL  48          HG13      VAL  48  -9.842  -2.708   1.369
  278   HG21  VAL  48          HG21      VAL  48  -6.667  -1.009   1.989
  279   HG22  VAL  48          HG22      VAL  48  -7.085  -0.381   0.395
  280   HG23  VAL  48          HG23      VAL  48  -5.829  -1.609   0.563
  281    H    ASN  49           HN       ASN  49  -9.215  -4.290   2.842
  282    HA   ASN  49           HA       ASN  49  -9.984  -6.675   1.324
  283    HB2  ASN  49           HB2      ASN  49  -9.664  -6.894   3.785
  284    HB3  ASN  49           HB1      ASN  49 -10.982  -5.752   4.024
  285   HD21  ASN  49          HD21      ASN  49 -12.224  -7.267   5.131
  286   HD22  ASN  49          HD22      ASN  49 -13.010  -8.575   4.320
  287    H    THR  50           HN       THR  50 -10.858  -5.610  -0.351
  288    HA   THR  50           HA       THR  50 -13.025  -3.730  -0.098
  289    HB   THR  50           HB       THR  50 -13.514  -4.196  -2.525
  290    HG1  THR  50           HG1      THR  50 -11.410  -6.046  -2.098
  291   HG21  THR  50          HG21      THR  50 -11.443  -3.117  -3.332
  292   HG22  THR  50          HG22      THR  50 -10.701  -3.426  -1.760
  293   HG23  THR  50          HG23      THR  50 -12.097  -2.354  -1.881
  294    H    SER  51           HN       SER  51 -14.842  -4.257   0.818
  295    HA   SER  51           HA       SER  51 -15.623  -6.762   1.578
  296    HB2  SER  51           HB2      SER  51 -16.450  -4.559   2.447
  297    HB3  SER  51           HB1      SER  51 -17.520  -4.475   1.051
  298    HG   SER  51           HG       SER  51 -17.546  -6.745   2.721
  299    H    ASP  52           HN       ASP  52 -16.216  -5.272  -1.532
  300    HA   ASP  52           HA       ASP  52 -18.289  -7.179  -2.208
  301    HB2  ASP  52           HB2      ASP  52 -18.562  -5.965  -4.237
  302    HB3  ASP  52           HB1      ASP  52 -18.363  -4.789  -2.944
  303    H    ARG  53           HN       ARG  53 -14.849  -7.055  -2.489
  304    HA   ARG  53           HA       ARG  53 -14.965  -9.302  -4.392
  305    HB2  ARG  53           HB2      ARG  53 -12.920  -7.074  -4.401
  306    HB3  ARG  53           HB1      ARG  53 -12.884  -8.495  -5.432
  307    HG2  ARG  53           HG2      ARG  53 -14.949  -7.792  -6.500
  308    HG3  ARG  53           HG1      ARG  53 -15.020  -6.381  -5.442
  309    HD2  ARG  53           HD2      ARG  53 -14.110  -5.716  -7.567
  310    HD3  ARG  53           HD1      ARG  53 -12.841  -5.649  -6.344
  311    HE   ARG  53           HE       ARG  53 -12.930  -8.137  -7.778
  312   HH11  ARG  53          HH11      ARG  53 -11.656  -4.880  -7.763
  313   HH12  ARG  53          HH12      ARG  53 -10.335  -5.255  -8.821
  314   HH21  ARG  53          HH21      ARG  53 -11.183  -8.637  -9.160
  315   HH22  ARG  53          HH22      ARG  53 -10.052  -7.397  -9.598
  316    H    GLY  54           HN       GLY  54 -13.041  -7.619  -1.956
  317    HA2  GLY  54           HA2      GLY  54 -12.316  -9.062  -0.072
  318    HA3  GLY  54           HA1      GLY  54 -11.739 -10.172  -1.298
  319    H    TRP  55           HN       TRP  55  -9.698 -10.043  -0.239
  320    HA   TRP  55           HA       TRP  55  -8.123  -7.803   0.032
  321    HB2  TRP  55           HB2      TRP  55  -7.536 -10.679  -0.479
  322    HB3  TRP  55           HB1      TRP  55  -6.216  -9.523  -0.626
  323    HD1  TRP  55           HD1      TRP  55  -7.445 -11.773   1.850
  324    HE1  TRP  55           HE1      TRP  55  -6.933 -10.975   4.247
  325    HE3  TRP  55           HE3      TRP  55  -6.377  -6.896   0.859
  326    HZ2  TRP  55           HZ2      TRP  55  -6.167  -8.566   5.533
  327    HZ3  TRP  55           HZ3      TRP  55  -5.766  -5.408   2.703
  328    HH2  TRP  55           HH2      TRP  55  -5.661  -6.212   4.987
  329    H    THR  56           HN       THR  56  -7.419  -6.342  -1.280
  330    HA   THR  56           HA       THR  56  -8.064  -6.353  -4.037
  331    HB   THR  56           HB       THR  56  -6.842  -4.187  -4.097
  332    HG1  THR  56           HG1      THR  56  -5.328  -4.025  -2.623
  333   HG21  THR  56          HG21      THR  56  -9.195  -4.244  -3.473
  334   HG22  THR  56          HG22      THR  56  -8.339  -2.999  -2.563
  335   HG23  THR  56          HG23      THR  56  -8.753  -4.529  -1.791
  336    H    ASP  57           HN       ASP  57  -6.326  -5.433  -5.599
  337    HA   ASP  57           HA       ASP  57  -4.191  -7.304  -5.873
  338    HB2  ASP  57           HB2      ASP  57  -4.722  -4.675  -7.274
  339    HB3  ASP  57           HB1      ASP  57  -3.461  -5.807  -7.735
  340    H    GLU  58           HN       GLU  58  -2.142  -7.135  -5.176
  341    HA   GLU  58           HA       GLU  58  -1.593  -5.308  -3.117
  342    HB2  GLU  58           HB2      GLU  58  -0.574  -7.495  -3.132
  343    HB3  GLU  58           HB1      GLU  58   0.321  -7.110  -4.593
  344    HG2  GLU  58           HG2      GLU  58   1.732  -5.630  -3.471
  345    HG3  GLU  58           HG1      GLU  58   0.635  -5.483  -2.099
  346    H    CYS  59           HN       CYS  59  -1.148  -3.323  -3.258
  347    HA   CYS  59           HA       CYS  59  -0.250  -2.170  -5.772
  348    HB2  CYS  59           HB2      CYS  59  -1.051  -0.815  -3.186
  349    HB3  CYS  59           HB1      CYS  59  -0.785  -0.018  -4.735
  350    HG   CYS  59           HG       CYS  59  -3.078  -2.476  -4.778
  351    H    ILE  60           HN       ILE  60   1.873  -2.555  -5.997
  352    HA   ILE  60           HA       ILE  60   3.733  -2.252  -3.820
  353    HB   ILE  60           HB       ILE  60   4.166  -2.752  -6.773
  354   HG12  ILE  60          HG12      ILE  60   2.925  -4.531  -5.525
  355   HG13  ILE  60          HG11      ILE  60   4.451  -5.062  -6.222
  356   HG21  ILE  60          HG21      ILE  60   6.116  -1.740  -5.765
  357   HG22  ILE  60          HG22      ILE  60   6.424  -3.431  -6.160
  358   HG23  ILE  60          HG23      ILE  60   6.104  -2.959  -4.493
  359   HD11  ILE  60          HD11      ILE  60   4.069  -4.259  -3.362
  360   HD12  ILE  60          HD12      ILE  60   5.521  -4.939  -4.086
  361   HD13  ILE  60          HD13      ILE  60   4.060  -5.917  -3.955
  362    H    GLY  61           HN       GLY  61   4.623  -0.396  -3.258
  363    HA2  GLY  61           HA2      GLY  61   4.260   1.957  -4.907
  364    HA3  GLY  61           HA1      GLY  61   4.929   1.910  -3.283
  365    H    GLU  62           HN       GLU  62   6.385   3.497  -4.374
  366    HA   GLU  62           HA       GLU  62   8.305   2.448  -6.263
  367    HB2  GLU  62           HB2      GLU  62   8.217   5.092  -4.795
  368    HB3  GLU  62           HB1      GLU  62   9.272   4.695  -6.145
  369    HG2  GLU  62           HG2      GLU  62   7.429   4.574  -7.647
  370    HG3  GLU  62           HG1      GLU  62   6.272   4.694  -6.322
  371    HA   PRO  63           HA       PRO  63  11.386   1.246  -3.216
  372    HB2  PRO  63           HB2      PRO  63  13.336   2.149  -5.246
  373    HB3  PRO  63           HB1      PRO  63  13.160   0.564  -4.487
  374    HG2  PRO  63           HG2      PRO  63  12.457   0.979  -7.037
  375    HG3  PRO  63           HG1      PRO  63  11.546  -0.123  -5.991
  376    HD2  PRO  63           HD2      PRO  63  10.878   2.662  -6.852
  377    HD3  PRO  63           HD1      PRO  63   9.815   1.256  -6.646
  378    H    MET  64           HN       MET  64  11.601   2.646  -1.564
  379    HA   MET  64           HA       MET  64  12.452   5.399  -2.169
  380    HB2  MET  64           HB2      MET  64  10.713   4.473   0.116
  381    HB3  MET  64           HB1      MET  64  11.124   6.135  -0.288
  382    HG2  MET  64           HG2      MET  64   9.476   4.258  -1.961
  383    HG3  MET  64           HG1      MET  64   8.881   5.594  -0.989
  384    HE1  MET  64           HE1      MET  64   8.958   8.044  -1.611
  385    HE2  MET  64           HE2      MET  64   9.950   8.735  -2.896
  386    HE3  MET  64           HE3      MET  64  10.716   8.011  -1.483
  387    HA   PRO  65           HA       PRO  65  15.852   4.594   0.526
  388    HB2  PRO  65           HB2      PRO  65  16.639   7.087   1.129
  389    HB3  PRO  65           HB1      PRO  65  16.780   6.437  -0.509
  390    HG2  PRO  65           HG2      PRO  65  14.705   8.268   0.631
  391    HG3  PRO  65           HG1      PRO  65  15.524   8.346  -0.941
  392    HD2  PRO  65           HD2      PRO  65  13.009   7.317  -0.575
  393    HD3  PRO  65           HD1      PRO  65  14.094   6.830  -1.892
  394    H    SER  66           HN       SER  66  12.952   5.305   1.784
  395    HA   SER  66           HA       SER  66  13.895   5.045   4.494
  396    HB2  SER  66           HB2      SER  66  13.932   7.451   4.329
  397    HB3  SER  66           HB1      SER  66  12.346   7.476   3.567
  398    HG   SER  66           HG       SER  66  11.961   7.944   5.663
  399    H    VAL  67           HN       VAL  67  12.353   4.159   5.839
  400    HA   VAL  67           HA       VAL  67  10.483   2.508   4.487
  401    HB   VAL  67           HB       VAL  67   9.854   1.681   6.730
  402   HG11  VAL  67          HG11      VAL  67  12.822   1.921   6.269
  403   HG12  VAL  67          HG12      VAL  67  11.753   0.707   5.567
  404   HG13  VAL  67          HG13      VAL  67  12.035   0.734   7.308
  405   HG21  VAL  67          HG21      VAL  67  11.808   3.748   7.735
  406   HG22  VAL  67          HG22      VAL  67  11.036   2.496   8.707
  407   HG23  VAL  67          HG23      VAL  67  10.061   3.770   7.974
  408    H    LYS  68           HN       LYS  68  10.171   5.560   6.192
  409    HA   LYS  68           HA       LYS  68   7.428   5.492   6.705
  410    HB2  LYS  68           HB2      LYS  68   9.235   7.103   7.537
  411    HB3  LYS  68           HB1      LYS  68   9.031   7.936   6.002
  412    HG2  LYS  68           HG2      LYS  68   6.581   8.097   6.573
  413    HG3  LYS  68           HG1      LYS  68   7.051   7.555   8.182
  414    HD2  LYS  68           HD2      LYS  68   8.489   9.466   8.466
  415    HD3  LYS  68           HD1      LYS  68   8.190   9.979   6.804
  416    HE2  LYS  68           HE2      LYS  68   5.753  10.153   7.422
  417    HE3  LYS  68           HE1      LYS  68   6.244   9.920   9.098
  418    HZ1  LYS  68           HZ1      LYS  68   6.004  12.260   8.545
  419    HZ2  LYS  68           HZ2      LYS  68   7.169  12.116   7.329
  420    HZ3  LYS  68           HZ3      LYS  68   7.606  11.898   8.945
  421    H    LYS  69           HN       LYS  69   9.301   6.748   3.979
  422    HA   LYS  69           HA       LYS  69   6.928   7.685   2.644
  423    HB2  LYS  69           HB2      LYS  69   8.588   8.277   0.801
  424    HB3  LYS  69           HB1      LYS  69   8.735   9.127   2.331
  425    HG2  LYS  69           HG2      LYS  69  10.559   7.663   2.978
  426    HG3  LYS  69           HG1      LYS  69  10.409   6.791   1.455
  427    HD2  LYS  69           HD2      LYS  69  12.238   8.422   1.374
  428    HD3  LYS  69           HD1      LYS  69  10.964   8.829   0.224
  429    HE2  LYS  69           HE2      LYS  69  10.070  10.471   1.810
  430    HE3  LYS  69           HE1      LYS  69  11.359  10.072   2.941
  431    HZ1  LYS  69           HZ1      LYS  69  12.974  10.888   1.398
  432    HZ2  LYS  69           HZ2      LYS  69  11.801  12.082   1.630
  433    HZ3  LYS  69           HZ3      LYS  69  11.794  11.156   0.218
  434    H    ALA  70           HN       ALA  70   8.838   4.840   2.693
  435    HA   ALA  70           HA       ALA  70   8.164   3.708   0.237
  436    HB1  ALA  70           HB1      ALA  70   8.537   1.551   1.312
  437    HB2  ALA  70           HB2      ALA  70   8.450   2.312   2.900
  438    HB3  ALA  70           HB3      ALA  70   9.776   2.708   1.804
  439    H    LYS  71           HN       LYS  71   6.498   3.372   3.379
  440    HA   LYS  71           HA       LYS  71   4.215   2.068   2.537
  441    HB2  LYS  71           HB2      LYS  71   4.528   4.109   4.745
  442    HB3  LYS  71           HB1      LYS  71   3.162   3.017   4.569
  443    HG2  LYS  71           HG2      LYS  71   4.633   1.102   4.866
  444    HG3  LYS  71           HG1      LYS  71   6.022   2.180   5.005
  445    HD2  LYS  71           HD2      LYS  71   3.645   2.204   6.862
  446    HD3  LYS  71           HD1      LYS  71   5.158   1.361   7.187
  447    HE2  LYS  71           HE2      LYS  71   6.353   3.521   7.030
  448    HE3  LYS  71           HE1      LYS  71   4.804   4.334   6.803
  449    HZ1  LYS  71           HZ1      LYS  71   4.114   3.568   8.980
  450    HZ2  LYS  71           HZ2      LYS  71   5.560   4.431   9.108
  451    HZ3  LYS  71           HZ3      LYS  71   5.574   2.744   9.193
  452    H    ASP  72           HN       ASP  72   4.715   5.573   2.943
  453    HA   ASP  72           HA       ASP  72   2.247   6.452   2.093
  454    HB2  ASP  72           HB2      ASP  72   4.966   7.686   2.025
  455    HB3  ASP  72           HB1      ASP  72   3.631   8.508   1.223
  456    H    SER  73           HN       SER  73   5.097   5.781   0.031
  457    HA   SER  73           HA       SER  73   4.021   6.749  -2.348
  458    HB2  SER  73           HB2      SER  73   6.400   6.167  -2.056
  459    HB3  SER  73           HB1      SER  73   5.967   4.461  -1.949
  460    HG   SER  73           HG       SER  73   6.186   6.098  -4.152
  461    H    ALA  74           HN       ALA  74   3.847   3.521  -0.903
  462    HA   ALA  74           HA       ALA  74   2.501   2.336  -3.124
  463    HB1  ALA  74           HB1      ALA  74   3.848   1.113  -1.389
  464    HB2  ALA  74           HB2      ALA  74   2.274   0.410  -1.755
  465    HB3  ALA  74           HB3      ALA  74   2.495   1.350  -0.275
  466    H    ALA  75           HN       ALA  75   1.482   3.583   0.005
  467    HA   ALA  75           HA       ALA  75  -1.243   3.124  -0.097
  468    HB1  ALA  75           HB1      ALA  75  -1.482   4.976   1.460
  469    HB2  ALA  75           HB2      ALA  75   0.137   5.546   1.058
  470    HB3  ALA  75           HB3      ALA  75  -0.075   3.996   1.872
  471    H    VAL  76           HN       VAL  76   0.621   5.728  -1.654
  472    HA   VAL  76           HA       VAL  76  -1.574   7.274  -2.516
  473    HB   VAL  76           HB       VAL  76   1.174   6.972  -3.754
  474   HG11  VAL  76          HG11      VAL  76   0.710   9.096  -4.890
  475   HG12  VAL  76          HG12      VAL  76  -0.941   9.062  -4.271
  476   HG13  VAL  76          HG13      VAL  76  -0.397   7.825  -5.404
  477   HG21  VAL  76          HG21      VAL  76   1.658   9.086  -2.632
  478   HG22  VAL  76          HG22      VAL  76   1.214   7.834  -1.475
  479   HG23  VAL  76          HG23      VAL  76   0.048   9.080  -1.916
  480    H    LEU  77           HN       LEU  77   0.059   4.475  -3.871
  481    HA   LEU  77           HA       LEU  77  -1.383   4.561  -6.358
  482    HB2  LEU  77           HB2      LEU  77   0.196   2.279  -5.173
  483    HB3  LEU  77           HB1      LEU  77  -0.242   2.499  -6.852
  484    HG   LEU  77           HG       LEU  77   1.719   4.167  -5.280
  485   HD11  LEU  77          HD11      LEU  77   2.124   2.360  -7.653
  486   HD12  LEU  77          HD12      LEU  77   2.518   1.950  -5.984
  487   HD13  LEU  77          HD13      LEU  77   3.368   3.267  -6.792
  488   HD21  LEU  77          HD21      LEU  77   2.136   5.334  -7.398
  489   HD22  LEU  77          HD22      LEU  77   0.492   5.589  -6.814
  490   HD23  LEU  77          HD23      LEU  77   0.793   4.459  -8.132
  491    H    LEU  78           HN       LEU  78  -1.699   3.111  -3.245
  492    HA   LEU  78           HA       LEU  78  -3.854   1.373  -3.788
  493    HB2  LEU  78           HB2      LEU  78  -2.469   1.381  -1.740
  494    HB3  LEU  78           HB1      LEU  78  -3.210   2.896  -1.278
  495    HG   LEU  78           HG       LEU  78  -5.433   1.617  -1.368
  496   HD11  LEU  78          HD11      LEU  78  -3.580  -0.739  -1.031
  497   HD12  LEU  78          HD12      LEU  78  -4.428  -0.361  -2.527
  498   HD13  LEU  78          HD13      LEU  78  -5.342  -0.750  -1.074
  499   HD21  LEU  78          HD21      LEU  78  -4.790   2.336   0.714
  500   HD22  LEU  78          HD22      LEU  78  -3.261   1.462   0.664
  501   HD23  LEU  78          HD23      LEU  78  -4.773   0.585   0.953
  502    H    LEU  79           HN       LEU  79  -3.655   4.798  -2.993
  503    HA   LEU  79           HA       LEU  79  -6.401   5.237  -2.572
  504    HB2  LEU  79           HB2      LEU  79  -4.007   6.887  -2.941
  505    HB3  LEU  79           HB1      LEU  79  -5.498   7.652  -3.448
  506    HG   LEU  79           HG       LEU  79  -4.902   8.218  -1.130
  507   HD11  LEU  79          HD11      LEU  79  -7.253   8.199  -1.814
  508   HD12  LEU  79          HD12      LEU  79  -7.060   7.749  -0.120
  509   HD13  LEU  79          HD13      LEU  79  -7.377   6.508  -1.332
  510   HD21  LEU  79          HD21      LEU  79  -4.995   6.550   0.620
  511   HD22  LEU  79          HD22      LEU  79  -3.766   6.110  -0.568
  512   HD23  LEU  79          HD23      LEU  79  -5.327   5.288  -0.565
  513    H    GLU  80           HN       GLU  80  -4.521   5.093  -5.536
  514    HA   GLU  80           HA       GLU  80  -6.657   6.224  -7.087
  515    HB2  GLU  80           HB2      GLU  80  -5.400   5.352  -9.071
  516    HB3  GLU  80           HB1      GLU  80  -4.527   6.506  -8.066
  517    HG2  GLU  80           HG2      GLU  80  -3.373   4.642  -7.002
  518    HG3  GLU  80           HG1      GLU  80  -4.205   3.521  -8.076
  519    H    LEU  81           HN       LEU  81  -5.661   3.049  -6.101
  520    HA   LEU  81           HA       LEU  81  -7.370   1.514  -7.722
  521    HB2  LEU  81           HB2      LEU  81  -5.501   0.693  -6.220
  522    HB3  LEU  81           HB1      LEU  81  -6.595   0.922  -4.878
  523    HG   LEU  81           HG       LEU  81  -7.306  -0.885  -7.166
  524   HD11  LEU  81          HD11      LEU  81  -5.756  -1.597  -4.682
  525   HD12  LEU  81          HD12      LEU  81  -5.162  -1.652  -6.342
  526   HD13  LEU  81          HD13      LEU  81  -6.438  -2.754  -5.824
  527   HD21  LEU  81          HD21      LEU  81  -9.113  -0.268  -5.638
  528   HD22  LEU  81          HD22      LEU  81  -8.149  -0.822  -4.269
  529   HD23  LEU  81          HD23      LEU  81  -8.705  -1.977  -5.480
  530    H    LEU  82           HN       LEU  82  -7.761   2.909  -4.506
  531    HA   LEU  82           HA       LEU  82 -10.505   2.267  -4.205
  532    HB2  LEU  82           HB2      LEU  82  -8.475   3.887  -2.791
  533    HB3  LEU  82           HB1      LEU  82 -10.147   4.314  -2.496
  534    HG   LEU  82           HG       LEU  82 -10.630   2.234  -1.528
  535   HD11  LEU  82          HD11      LEU  82  -7.985   1.224  -2.549
  536   HD12  LEU  82          HD12      LEU  82  -9.584   0.765  -3.142
  537   HD13  LEU  82          HD13      LEU  82  -9.092   0.330  -1.505
  538   HD21  LEU  82          HD21      LEU  82  -8.969   2.011   0.253
  539   HD22  LEU  82          HD22      LEU  82  -9.339   3.702  -0.083
  540   HD23  LEU  82          HD23      LEU  82  -7.842   2.990  -0.685
  541    H    ASN  83           HN       ASN  83  -9.081   4.440  -6.269
  542    HA   ASN  83           HA       ASN  83 -11.210   6.435  -6.087
  543    HB2  ASN  83           HB2      ASN  83  -8.817   7.127  -6.401
  544    HB3  ASN  83           HB1      ASN  83  -8.843   6.337  -7.972
  545   HD21  ASN  83          HD21      ASN  83  -9.875   9.058  -6.115
  546   HD22  ASN  83          HD22      ASN  83 -10.474   9.996  -7.438
  547    H    LYS  84           HN       LYS  84 -10.497   3.567  -7.618
  548    HA   LYS  84           HA       LYS  84 -12.218   4.134  -9.926
  549    HB2  LYS  84           HB2      LYS  84 -10.211   1.893  -9.680
  550    HB3  LYS  84           HB1      LYS  84 -10.983   2.491 -11.144
  551    HG2  LYS  84           HG2      LYS  84  -9.738   4.510 -11.059
  552    HG3  LYS  84           HG1      LYS  84  -9.120   4.135  -9.461
  553    HD2  LYS  84           HD2      LYS  84  -7.406   3.733 -11.121
  554    HD3  LYS  84           HD1      LYS  84  -7.907   2.213 -10.382
  555    HE2  LYS  84           HE2      LYS  84  -9.307   1.726 -12.323
  556    HE3  LYS  84           HE1      LYS  84  -8.839   3.262 -13.054
  557    HZ1  LYS  84           HZ1      LYS  84  -7.012   1.008 -12.421
  558    HZ2  LYS  84           HZ2      LYS  84  -6.537   2.491 -13.081
  559    HZ3  LYS  84           HZ3      LYS  84  -7.541   1.455 -13.965
  560    H    THR  85           HN       THR  85 -13.355   3.561  -7.475
  561    HA   THR  85           HA       THR  85 -14.192   0.752  -7.726
  562    HB   THR  85           HB       THR  85 -14.932   0.977  -5.324
  563    HG1  THR  85           HG1      THR  85 -14.865   3.350  -5.395
  564   HG21  THR  85          HG21      THR  85 -12.854  -0.165  -5.901
  565   HG22  THR  85          HG22      THR  85 -12.673   0.731  -4.393
  566   HG23  THR  85          HG23      THR  85 -11.992   1.373  -5.887
  Start of MODEL    6
    1    H1   ASN  15           HT1      ASN  15  -5.375   6.580   5.825
    2    H2   ASN  15           HT2      ASN  15  -5.773   5.767   4.400
    3    H3   ASN  15           HT3      ASN  15  -4.433   5.278   5.306
    4    HA   ASN  15           HA       ASN  15  -6.269   3.769   5.619
    5    HB2  ASN  15           HB2      ASN  15  -4.643   4.280   7.468
    6    HB3  ASN  15           HB1      ASN  15  -5.806   5.438   8.100
    7   HD21  ASN  15          HD21      ASN  15  -6.052   4.334  10.029
    8   HD22  ASN  15          HD22      ASN  15  -6.895   2.826  10.133
    9    H    ASP  16           HN       ASP  16  -7.106   7.106   5.764
   10    HA   ASP  16           HA       ASP  16  -9.541   6.958   7.182
   11    HB2  ASP  16           HB2      ASP  16  -8.505   8.923   5.139
   12    HB3  ASP  16           HB1      ASP  16 -10.066   9.115   5.925
   13    H    ILE  17           HN       ILE  17  -8.791   6.698   3.738
   14    HA   ILE  17           HA       ILE  17 -11.454   6.679   2.849
   15    HB   ILE  17           HB       ILE  17  -8.960   5.607   1.535
   16   HG12  ILE  17          HG12      ILE  17  -9.372   7.626   0.058
   17   HG13  ILE  17          HG11      ILE  17 -10.590   8.128   1.218
   18   HG21  ILE  17          HG21      ILE  17 -10.898   4.398   0.676
   19   HG22  ILE  17          HG22      ILE  17 -10.250   5.499  -0.540
   20   HG23  ILE  17          HG23      ILE  17 -11.713   5.927   0.346
   21   HD11  ILE  17          HD11      ILE  17  -8.472   9.285   1.542
   22   HD12  ILE  17          HD12      ILE  17  -7.678   7.734   1.829
   23   HD13  ILE  17          HD13      ILE  17  -8.923   8.308   2.941
   24    H    CYS  18           HN       CYS  18  -9.287   4.094   3.850
   25    HA   CYS  18           HA       CYS  18 -10.988   1.956   3.001
   26    HB2  CYS  18           HB2      CYS  18  -8.503   1.768   3.356
   27    HB3  CYS  18           HB1      CYS  18  -8.790   1.902   5.087
   28    HG   CYS  18           HG       CYS  18  -9.655  -0.546   5.516
   29    H    LEU  19           HN       LEU  19 -10.389   3.718   5.944
   30    HA   LEU  19           HA       LEU  19 -12.023   2.248   7.701
   31    HB2  LEU  19           HB2      LEU  19 -10.225   4.059   8.071
   32    HB3  LEU  19           HB1      LEU  19 -11.548   5.189   7.923
   33    HG   LEU  19           HG       LEU  19 -11.334   2.997   9.992
   34   HD11  LEU  19          HD11      LEU  19  -9.696   4.704  10.399
   35   HD12  LEU  19          HD12      LEU  19 -11.011   4.874  11.563
   36   HD13  LEU  19          HD13      LEU  19 -10.905   5.970  10.184
   37   HD21  LEU  19          HD21      LEU  19 -13.340   5.229   9.713
   38   HD22  LEU  19          HD22      LEU  19 -13.247   4.076  11.044
   39   HD23  LEU  19          HD23      LEU  19 -13.645   3.518   9.417
   40    H    ARG  20           HN       ARG  20 -12.622   5.155   5.742
   41    HA   ARG  20           HA       ARG  20 -15.268   5.614   6.538
   42    HB2  ARG  20           HB2      ARG  20 -13.827   7.214   5.301
   43    HB3  ARG  20           HB1      ARG  20 -14.017   6.228   3.858
   44    HG2  ARG  20           HG2      ARG  20 -16.471   6.614   3.997
   45    HG3  ARG  20           HG1      ARG  20 -16.167   7.738   5.324
   46    HD2  ARG  20           HD2      ARG  20 -16.370   8.994   3.293
   47    HD3  ARG  20           HD1      ARG  20 -14.687   9.033   3.811
   48    HE   ARG  20           HE       ARG  20 -15.657   7.207   1.705
   49   HH11  ARG  20          HH11      ARG  20 -13.278   9.476   2.933
   50   HH12  ARG  20          HH12      ARG  20 -12.295   9.406   1.509
   51   HH21  ARG  20          HH21      ARG  20 -14.352   7.101  -0.153
   52   HH22  ARG  20          HH22      ARG  20 -12.897   8.045  -0.244
   53    H    LYS  21           HN       LYS  21 -13.928   3.441   4.142
   54    HA   LYS  21           HA       LYS  21 -16.387   2.787   2.859
   55    HB2  LYS  21           HB2      LYS  21 -13.619   1.679   2.910
   56    HB3  LYS  21           HB1      LYS  21 -14.911   0.685   2.251
   57    HG2  LYS  21           HG2      LYS  21 -14.183   3.447   1.308
   58    HG3  LYS  21           HG1      LYS  21 -13.725   1.931   0.521
   59    HD2  LYS  21           HD2      LYS  21 -16.148   1.381   0.346
   60    HD3  LYS  21           HD1      LYS  21 -16.496   3.001   0.947
   61    HE2  LYS  21           HE2      LYS  21 -15.251   3.937  -0.964
   62    HE3  LYS  21           HE1      LYS  21 -14.979   2.308  -1.560
   63    HZ1  LYS  21           HZ1      LYS  21 -17.638   3.572  -1.203
   64    HZ2  LYS  21           HZ2      LYS  21 -17.353   2.021  -1.811
   65    HZ3  LYS  21           HZ3      LYS  21 -16.836   3.377  -2.679
   66    H    ASN  22           HN       ASN  22 -15.365   2.246   5.859
   67    HA   ASN  22           HA       ASN  22 -15.905   0.900   7.598
   68    HB2  ASN  22           HB2      ASN  22 -18.229   1.287   6.741
   69    HB3  ASN  22           HB1      ASN  22 -18.085  -0.201   5.815
   70   HD21  ASN  22          HD21      ASN  22 -19.794  -1.154   6.904
   71   HD22  ASN  22          HD22      ASN  22 -19.660  -1.701   8.540
   72    H    TRP  23           HN       TRP  23 -14.016   0.095   5.554
   73    HA   TRP  23           HA       TRP  23 -14.114  -2.820   5.617
   74    HB2  TRP  23           HB2      TRP  23 -12.029  -0.888   4.573
   75    HB3  TRP  23           HB1      TRP  23 -11.904  -2.631   4.460
   76    HD1  TRP  23           HD1      TRP  23 -15.078  -2.963   3.472
   77    HE1  TRP  23           HE1      TRP  23 -15.539  -2.424   0.980
   78    HE3  TRP  23           HE3      TRP  23 -10.976  -0.112   2.508
   79    HZ2  TRP  23           HZ2      TRP  23 -14.271  -0.976  -1.122
   80    HZ3  TRP  23           HZ3      TRP  23 -10.661   0.804   0.260
   81    HH2  TRP  23           HH2      TRP  23 -12.268   0.384  -1.518
   82    HA   PRO  24           HA       PRO  24 -11.328  -3.112   9.140
   83    HB2  PRO  24           HB2      PRO  24  -9.626  -5.080   8.348
   84    HB3  PRO  24           HB1      PRO  24 -11.254  -5.388   8.953
   85    HG2  PRO  24           HG2      PRO  24 -10.257  -5.314   6.146
   86    HG3  PRO  24           HG1      PRO  24 -11.436  -6.408   6.889
   87    HD2  PRO  24           HD2      PRO  24 -12.142  -4.307   5.318
   88    HD3  PRO  24           HD1      PRO  24 -13.167  -4.911   6.630
   89    H    MET  25           HN       MET  25  -8.751  -3.331   9.461
   90    HA   MET  25           HA       MET  25  -7.671  -1.024   8.173
   91    HB2  MET  25           HB2      MET  25  -6.363  -3.031  10.003
   92    HB3  MET  25           HB1      MET  25  -5.691  -1.471   9.551
   93    HG2  MET  25           HG2      MET  25  -8.343  -1.717  10.919
   94    HG3  MET  25           HG1      MET  25  -6.835  -1.665  11.814
   95    HE1  MET  25           HE1      MET  25  -9.638   0.217  10.182
   96    HE2  MET  25           HE2      MET  25  -8.593   0.467   8.785
   97    HE3  MET  25           HE3      MET  25  -9.019   1.827   9.818
   98    HA   PRO  26           HA       PRO  26  -5.909  -3.058   4.683
   99    HB2  PRO  26           HB2      PRO  26  -3.981  -0.894   4.464
  100    HB3  PRO  26           HB1      PRO  26  -5.328  -1.292   3.402
  101    HG2  PRO  26           HG2      PRO  26  -5.295   0.915   4.981
  102    HG3  PRO  26           HG1      PRO  26  -6.784   0.078   4.513
  103    HD2  PRO  26           HD2      PRO  26  -5.278  -0.023   7.091
  104    HD3  PRO  26           HD1      PRO  26  -7.029  -0.029   6.800
  105    H    SER  27           HN       SER  27  -3.933  -3.912   3.876
  106    HA   SER  27           HA       SER  27  -2.162  -4.748   6.019
  107    HB2  SER  27           HB2      SER  27  -3.163  -6.325   4.303
  108    HB3  SER  27           HB1      SER  27  -2.070  -5.606   3.126
  109    HG   SER  27           HG       SER  27  -0.631  -6.938   3.859
  110    H    TYR  28           HN       TYR  28   0.022  -4.315   6.131
  111    HA   TYR  28           HA       TYR  28   1.224  -2.646   4.101
  112    HB2  TYR  28           HB2      TYR  28   0.765  -1.731   6.933
  113    HB3  TYR  28           HB1      TYR  28   2.088  -1.093   5.968
  114    HD1  TYR  28           HD1      TYR  28   1.632   0.348   4.015
  115    HD2  TYR  28           HD2      TYR  28  -1.526  -1.097   6.493
  116    HE1  TYR  28           HE1      TYR  28   0.120   2.030   3.064
  117    HE2  TYR  28           HE2      TYR  28  -3.042   0.588   5.541
  118    HH   TYR  28           HH       TYR  28  -2.341   2.311   2.743
  119    H    ARG  29           HN       ARG  29   3.056  -3.800   3.675
  120    HA   ARG  29           HA       ARG  29   4.991  -4.243   5.718
  121    HB2  ARG  29           HB2      ARG  29   3.586  -6.189   6.168
  122    HB3  ARG  29           HB1      ARG  29   3.646  -6.651   4.474
  123    HG2  ARG  29           HG2      ARG  29   6.056  -7.017   4.660
  124    HG3  ARG  29           HG1      ARG  29   5.987  -6.562   6.362
  125    HD2  ARG  29           HD2      ARG  29   4.556  -8.443   6.849
  126    HD3  ARG  29           HD1      ARG  29   4.465  -8.858   5.139
  127    HE   ARG  29           HE       ARG  29   7.158  -8.832   5.939
  128   HH11  ARG  29          HH11      ARG  29   4.241 -10.702   6.423
  129   HH12  ARG  29          HH12      ARG  29   5.086 -12.194   6.673
  130   HH21  ARG  29          HH21      ARG  29   8.274 -10.790   6.251
  131   HH22  ARG  29          HH22      ARG  29   7.385 -12.242   6.578
  132    H    CYS  30           HN       CYS  30   6.968  -4.181   4.819
  133    HA   CYS  30           HA       CYS  30   7.243  -3.561   2.087
  134    HB2  CYS  30           HB2      CYS  30   9.713  -3.717   2.580
  135    HB3  CYS  30           HB1      CYS  30   8.806  -2.623   3.618
  136    HG   CYS  30           HG       CYS  30   9.803  -5.782   4.482
  137    H    VAL  31           HN       VAL  31   7.632  -4.744   0.351
  138    HA   VAL  31           HA       VAL  31   7.662  -7.630   0.616
  139    HB   VAL  31           HB       VAL  31   7.709  -5.994  -1.927
  140   HG11  VAL  31          HG11      VAL  31   8.354  -8.326  -2.221
  141   HG12  VAL  31          HG12      VAL  31   6.781  -8.013  -2.954
  142   HG13  VAL  31          HG13      VAL  31   6.880  -8.847  -1.404
  143   HG21  VAL  31          HG21      VAL  31   5.339  -7.044  -0.387
  144   HG22  VAL  31          HG22      VAL  31   5.271  -6.335  -2.000
  145   HG23  VAL  31          HG23      VAL  31   5.770  -5.351  -0.624
  146    H    LYS  32           HN       LYS  32   9.815  -5.005  -0.207
  147    HA   LYS  32           HA       LYS  32  12.027  -6.924  -0.255
  148    HB2  LYS  32           HB2      LYS  32  11.456  -6.167  -2.590
  149    HB3  LYS  32           HB1      LYS  32  11.812  -4.528  -2.073
  150    HG2  LYS  32           HG2      LYS  32  14.121  -5.245  -1.537
  151    HG3  LYS  32           HG1      LYS  32  13.740  -6.827  -2.224
  152    HD2  LYS  32           HD2      LYS  32  13.197  -5.746  -4.367
  153    HD3  LYS  32           HD1      LYS  32  13.622  -4.181  -3.674
  154    HE2  LYS  32           HE2      LYS  32  15.467  -5.003  -4.990
  155    HE3  LYS  32           HE1      LYS  32  15.914  -5.013  -3.286
  156    HZ1  LYS  32           HZ1      LYS  32  15.652  -7.341  -3.185
  157    HZ2  LYS  32           HZ2      LYS  32  16.544  -7.039  -4.587
  158    HZ3  LYS  32           HZ3      LYS  32  14.900  -7.413  -4.695
  159    H    GLU  33           HN       GLU  33  13.356  -6.410   1.320
  160    HA   GLU  33           HA       GLU  33  14.062  -3.646   1.866
  161    HB2  GLU  33           HB2      GLU  33  12.058  -4.183   3.295
  162    HB3  GLU  33           HB1      GLU  33  13.016  -5.429   4.077
  163    HG2  GLU  33           HG2      GLU  33  14.081  -2.656   4.029
  164    HG3  GLU  33           HG1      GLU  33  12.741  -3.021   5.110
  165    H    GLY  34           HN       GLY  34  16.196  -3.548   2.139
  166    HA2  GLY  34           HA2      GLY  34  18.228  -4.115   3.166
  167    HA3  GLY  34           HA1      GLY  34  17.556  -5.686   3.578
  168    H    GLY  35           HN       GLY  35  20.078  -5.499   2.584
  169    HA2  GLY  35           HA2      GLY  35  20.259  -7.385   0.645
  170    HA3  GLY  35           HA1      GLY  35  20.098  -5.890  -0.267
  171    HA   PRO  36           HA       PRO  36  24.652  -6.633   0.232
  172    HB2  PRO  36           HB2      PRO  36  24.448  -4.637  -1.986
  173    HB3  PRO  36           HB1      PRO  36  25.480  -6.063  -1.851
  174    HG2  PRO  36           HG2      PRO  36  23.331  -6.116  -3.398
  175    HG3  PRO  36           HG1      PRO  36  23.763  -7.523  -2.409
  176    HD2  PRO  36           HD2      PRO  36  21.625  -5.489  -1.987
  177    HD3  PRO  36           HD1      PRO  36  21.613  -7.229  -1.636
  178    H    ALA  37           HN       ALA  37  23.762  -3.407  -0.928
  179    HA   ALA  37           HA       ALA  37  24.136  -2.151   1.621
  180    HB1  ALA  37           HB1      ALA  37  26.070  -0.792   1.031
  181    HB2  ALA  37           HB2      ALA  37  26.197  -1.621  -0.520
  182    HB3  ALA  37           HB3      ALA  37  26.483  -2.506   0.977
  183    H    HIS  38           HN       HIS  38  24.214  -1.645  -1.878
  184    HA   HIS  38           HA       HIS  38  22.819   0.871  -1.721
  185    HB2  HIS  38           HB2      HIS  38  22.788   0.694  -4.225
  186    HB3  HIS  38           HB1      HIS  38  24.396   0.594  -3.518
  187    HD1  HIS  38           HD1      HIS  38  25.721  -1.526  -3.912
  188    HD2  HIS  38           HD2      HIS  38  21.792  -1.797  -5.249
  189    HE1  HIS  38           HE1      HIS  38  25.582  -3.695  -5.172
  190    HE2  HIS  38           HE2      HIS  38  23.269  -3.712  -6.171
  191    H    ALA  39           HN       ALA  39  21.577  -1.741  -0.765
  192    HA   ALA  39           HA       ALA  39  19.127  -1.569  -2.378
  193    HB1  ALA  39           HB1      ALA  39  20.264  -4.035  -1.074
  194    HB2  ALA  39           HB2      ALA  39  20.288  -3.671  -2.801
  195    HB3  ALA  39           HB3      ALA  39  18.751  -3.944  -1.975
  196    H    LYS  40           HN       LYS  40  19.881  -0.105   0.037
  197    HA   LYS  40           HA       LYS  40  17.987  -1.175   1.975
  198    HB2  LYS  40           HB2      LYS  40  20.305   0.032   2.475
  199    HB3  LYS  40           HB1      LYS  40  19.286   1.462   2.393
  200    HG2  LYS  40           HG2      LYS  40  19.555   0.622   4.684
  201    HG3  LYS  40           HG1      LYS  40  17.874   0.635   4.149
  202    HD2  LYS  40           HD2      LYS  40  17.940  -1.744   3.735
  203    HD3  LYS  40           HD1      LYS  40  19.663  -1.794   4.098
  204    HE2  LYS  40           HE2      LYS  40  19.228  -1.183   6.394
  205    HE3  LYS  40           HE1      LYS  40  17.509  -1.000   6.049
  206    HZ1  LYS  40           HZ1      LYS  40  17.305  -3.322   5.658
  207    HZ2  LYS  40           HZ2      LYS  40  18.135  -3.136   7.125
  208    HZ3  LYS  40           HZ3      LYS  40  18.984  -3.552   5.722
  209    H    ARG  41           HN       ARG  41  17.580   0.106  -0.748
  210    HA   ARG  41           HA       ARG  41  15.498   2.006  -0.033
  211    HB2  ARG  41           HB2      ARG  41  14.867   1.892  -2.462
  212    HB3  ARG  41           HB1      ARG  41  16.478   2.498  -2.146
  213    HG2  ARG  41           HG2      ARG  41  17.405   0.300  -2.737
  214    HG3  ARG  41           HG1      ARG  41  15.769  -0.278  -3.074
  215    HD2  ARG  41           HD2      ARG  41  15.544   1.549  -4.749
  216    HD3  ARG  41           HD1      ARG  41  17.238   1.947  -4.481
  217    HE   ARG  41           HE       ARG  41  17.238  -0.715  -5.123
  218   HH11  ARG  41          HH11      ARG  41  16.026   2.196  -6.629
  219   HH12  ARG  41          HH12      ARG  41  16.285   1.625  -8.244
  220   HH21  ARG  41          HH21      ARG  41  17.580  -1.480  -7.260
  221   HH22  ARG  41          HH22      ARG  41  17.164  -0.465  -8.603
  222    H    PHE  42           HN       PHE  42  13.366   1.555  -0.004
  223    HA   PHE  42           HA       PHE  42  12.843  -1.321   0.333
  224    HB2  PHE  42           HB2      PHE  42  11.305   0.928   1.635
  225    HB3  PHE  42           HB1      PHE  42  11.279  -0.779   2.056
  226    HD1  PHE  42           HD1      PHE  42  14.190  -1.383   2.109
  227    HD2  PHE  42           HD2      PHE  42  12.018   1.972   3.568
  228    HE1  PHE  42           HE1      PHE  42  15.954  -0.972   3.781
  229    HE2  PHE  42           HE2      PHE  42  13.768   2.379   5.244
  230    HZ   PHE  42           HZ       PHE  42  15.735   0.907   5.356
  231    H    THR  43           HN       THR  43  11.219  -2.276  -0.654
  232    HA   THR  43           HA       THR  43   9.445  -0.633  -2.335
  233    HB   THR  43           HB       THR  43  10.427  -3.423  -2.987
  234    HG1  THR  43           HG1      THR  43  11.790  -1.177  -3.141
  235   HG21  THR  43          HG21      THR  43   8.283  -2.839  -3.990
  236   HG22  THR  43          HG22      THR  43   9.542  -2.917  -5.223
  237   HG23  THR  43          HG23      THR  43   8.976  -1.352  -4.638
  238    H    PHE  44           HN       PHE  44   7.329  -0.866  -1.661
  239    HA   PHE  44           HA       PHE  44   6.729  -3.244  -0.080
  240    HB2  PHE  44           HB2      PHE  44   6.846  -1.827   1.699
  241    HB3  PHE  44           HB1      PHE  44   6.775  -0.400   0.680
  242    HD1  PHE  44           HD2      PHE  44   4.686  -3.071   2.147
  243    HD2  PHE  44           HD1      PHE  44   4.855   0.873   0.592
  244    HE1  PHE  44           HE2      PHE  44   2.391  -2.667   2.918
  245    HE2  PHE  44           HE1      PHE  44   2.574   1.281   1.376
  246    HZ   PHE  44           HZ       PHE  44   1.277  -0.536   2.376
  247    H    GLY  45           HN       GLY  45   4.451  -3.796  -0.046
  248    HA2  GLY  45           HA2      GLY  45   2.894  -2.524  -2.199
  249    HA3  GLY  45           HA1      GLY  45   2.970  -4.272  -2.021
  250    H    VAL  46           HN       VAL  46   0.730  -2.230  -1.793
  251    HA   VAL  46           HA       VAL  46  -0.054  -2.688   1.016
  252    HB   VAL  46           HB       VAL  46  -1.661  -0.930  -0.770
  253   HG11  VAL  46          HG11      VAL  46  -0.895  -0.865   2.136
  254   HG12  VAL  46          HG12      VAL  46  -2.463  -1.280   1.444
  255   HG13  VAL  46          HG13      VAL  46  -1.861   0.373   1.341
  256   HG21  VAL  46          HG21      VAL  46  -0.245   1.012  -0.286
  257   HG22  VAL  46          HG22      VAL  46   0.561  -0.178  -1.307
  258   HG23  VAL  46          HG23      VAL  46   0.968  -0.065   0.403
  259    H    ARG  47           HN       ARG  47  -2.274  -3.350   1.451
  260    HA   ARG  47           HA       ARG  47  -3.762  -4.388  -0.821
  261    HB2  ARG  47           HB2      ARG  47  -2.225  -6.120   0.560
  262    HB3  ARG  47           HB1      ARG  47  -3.611  -6.051   1.635
  263    HG2  ARG  47           HG2      ARG  47  -4.033  -7.875   0.293
  264    HG3  ARG  47           HG1      ARG  47  -5.020  -6.584  -0.392
  265    HD2  ARG  47           HD2      ARG  47  -3.977  -7.718  -2.205
  266    HD3  ARG  47           HD1      ARG  47  -3.200  -6.148  -2.033
  267    HE   ARG  47           HE       ARG  47  -1.419  -7.452  -0.773
  268   HH11  ARG  47          HH11      ARG  47  -3.385  -8.878  -3.294
  269   HH12  ARG  47          HH12      ARG  47  -2.148  -9.976  -3.818
  270   HH21  ARG  47          HH21      ARG  47   0.232  -8.879  -1.476
  271   HH22  ARG  47          HH22      ARG  47  -0.096  -9.987  -2.774
  272    H    VAL  48           HN       VAL  48  -5.968  -4.375  -0.427
  273    HA   VAL  48           HA       VAL  48  -6.849  -3.442   2.221
  274    HB   VAL  48           HB       VAL  48  -7.596  -2.273  -0.457
  275   HG11  VAL  48          HG11      VAL  48  -9.329  -0.974   0.664
  276   HG12  VAL  48          HG12      VAL  48  -9.037  -1.868   2.157
  277   HG13  VAL  48          HG13      VAL  48  -9.677  -2.702   0.739
  278   HG21  VAL  48          HG21      VAL  48  -5.653  -1.371   0.824
  279   HG22  VAL  48          HG22      VAL  48  -6.776  -0.943   2.115
  280   HG23  VAL  48          HG23      VAL  48  -6.934  -0.196   0.526
  281    H    ASN  49           HN       ASN  49  -9.009  -4.064   2.805
  282    HA   ASN  49           HA       ASN  49  -9.850  -6.491   1.410
  283    HB2  ASN  49           HB2      ASN  49  -9.482  -6.570   3.884
  284    HB3  ASN  49           HB1      ASN  49 -10.811  -5.431   4.073
  285   HD21  ASN  49          HD21      ASN  49  -9.924  -8.679   3.193
  286   HD22  ASN  49          HD22      ASN  49 -11.515  -9.350   3.294
  287    H    THR  50           HN       THR  50 -10.700  -5.476  -0.295
  288    HA   THR  50           HA       THR  50 -12.838  -3.532  -0.079
  289    HB   THR  50           HB       THR  50 -13.184  -3.957  -2.551
  290    HG1  THR  50           HG1      THR  50 -11.370  -5.967  -1.960
  291   HG21  THR  50          HG21      THR  50 -11.103  -2.841  -3.215
  292   HG22  THR  50          HG22      THR  50 -10.402  -3.224  -1.642
  293   HG23  THR  50          HG23      THR  50 -11.786  -2.136  -1.750
  294    H    SER  51           HN       SER  51 -14.613  -4.179   0.880
  295    HA   SER  51           HA       SER  51 -15.431  -6.679   1.502
  296    HB2  SER  51           HB2      SER  51 -16.340  -4.591   2.449
  297    HB3  SER  51           HB1      SER  51 -17.256  -4.327   0.968
  298    HG   SER  51           HG       SER  51 -17.529  -6.663   2.560
  299    H    ASP  52           HN       ASP  52 -16.215  -4.992  -1.495
  300    HA   ASP  52           HA       ASP  52 -18.190  -6.722  -2.453
  301    HB2  ASP  52           HB2      ASP  52 -17.579  -5.833  -4.701
  302    HB3  ASP  52           HB1      ASP  52 -17.856  -4.593  -3.486
  303    H    ARG  53           HN       ARG  53 -14.669  -7.084  -2.492
  304    HA   ARG  53           HA       ARG  53 -15.042  -9.680  -3.838
  305    HB2  ARG  53           HB2      ARG  53 -12.948  -7.599  -4.440
  306    HB3  ARG  53           HB1      ARG  53 -12.811  -9.271  -4.952
  307    HG2  ARG  53           HG2      ARG  53 -14.828  -9.056  -6.279
  308    HG3  ARG  53           HG1      ARG  53 -15.022  -7.391  -5.727
  309    HD2  ARG  53           HD2      ARG  53 -12.951  -6.755  -6.782
  310    HD3  ARG  53           HD1      ARG  53 -12.633  -8.425  -7.239
  311    HE   ARG  53           HE       ARG  53 -14.962  -7.996  -8.457
  312   HH11  ARG  53          HH11      ARG  53 -12.096  -6.000  -8.292
  313   HH12  ARG  53          HH12      ARG  53 -12.310  -5.324  -9.872
  314   HH21  ARG  53          HH21      ARG  53 -15.263  -7.111 -10.546
  315   HH22  ARG  53          HH22      ARG  53 -14.131  -5.946 -11.154
  316    H    GLY  54           HN       GLY  54 -13.075  -7.692  -1.708
  317    HA2  GLY  54           HA2      GLY  54 -12.342  -8.812   0.371
  318    HA3  GLY  54           HA1      GLY  54 -11.809 -10.126  -0.652
  319    H    TRP  55           HN       TRP  55  -9.716  -9.956   0.203
  320    HA   TRP  55           HA       TRP  55  -8.078  -7.727   0.176
  321    HB2  TRP  55           HB2      TRP  55  -7.556 -10.655  -0.094
  322    HB3  TRP  55           HB1      TRP  55  -6.235  -9.530  -0.366
  323    HD1  TRP  55           HD1      TRP  55  -7.382 -11.602   2.267
  324    HE1  TRP  55           HE1      TRP  55  -6.781 -10.690   4.599
  325    HE3  TRP  55           HE3      TRP  55  -6.322  -6.779   0.995
  326    HZ2  TRP  55           HZ2      TRP  55  -5.950  -8.238   5.725
  327    HZ3  TRP  55           HZ3      TRP  55  -5.633  -5.213   2.750
  328    HH2  TRP  55           HH2      TRP  55  -5.453  -5.920   5.071
  329    H    THR  56           HN       THR  56  -7.229  -6.506  -1.311
  330    HA   THR  56           HA       THR  56  -7.959  -6.822  -4.052
  331    HB   THR  56           HB       THR  56  -6.609  -4.739  -4.369
  332    HG1  THR  56           HG1      THR  56  -5.112  -4.547  -2.857
  333   HG21  THR  56          HG21      THR  56  -8.630  -4.716  -2.128
  334   HG22  THR  56          HG22      THR  56  -8.979  -4.599  -3.853
  335   HG23  THR  56          HG23      THR  56  -8.103  -3.302  -3.042
  336    H    ASP  57           HN       ASP  57  -6.146  -6.160  -5.698
  337    HA   ASP  57           HA       ASP  57  -3.945  -7.998  -5.542
  338    HB2  ASP  57           HB2      ASP  57  -3.216  -7.115  -7.650
  339    HB3  ASP  57           HB1      ASP  57  -4.968  -7.229  -7.723
  340    H    GLU  58           HN       GLU  58  -1.640  -6.919  -5.919
  341    HA   GLU  58           HA       GLU  58  -1.361  -5.395  -3.478
  342    HB2  GLU  58           HB2      GLU  58  -0.096  -7.527  -3.850
  343    HB3  GLU  58           HB1      GLU  58   0.830  -6.672  -5.072
  344    HG2  GLU  58           HG2      GLU  58   1.875  -5.312  -3.527
  345    HG3  GLU  58           HG1      GLU  58   0.640  -5.594  -2.299
  346    H    CYS  59           HN       CYS  59  -1.087  -3.341  -3.507
  347    HA   CYS  59           HA       CYS  59  -0.298  -1.935  -5.921
  348    HB2  CYS  59           HB2      CYS  59  -0.850  -0.774  -3.182
  349    HB3  CYS  59           HB1      CYS  59  -0.862   0.076  -4.723
  350    HG   CYS  59           HG       CYS  59  -3.124  -1.393  -5.658
  351    H    ILE  60           HN       ILE  60   1.845  -2.260  -6.283
  352    HA   ILE  60           HA       ILE  60   3.741  -2.159  -4.094
  353    HB   ILE  60           HB       ILE  60   4.050  -2.681  -7.052
  354   HG12  ILE  60          HG12      ILE  60   2.960  -4.445  -5.663
  355   HG13  ILE  60          HG11      ILE  60   4.455  -4.962  -6.436
  356   HG21  ILE  60          HG21      ILE  60   6.049  -1.585  -6.250
  357   HG22  ILE  60          HG22      ILE  60   6.370  -3.284  -6.598
  358   HG23  ILE  60          HG23      ILE  60   6.172  -2.747  -4.929
  359   HD11  ILE  60          HD11      ILE  60   5.653  -4.673  -4.365
  360   HD12  ILE  60          HD12      ILE  60   4.272  -5.746  -4.134
  361   HD13  ILE  60          HD13      ILE  60   4.194  -4.074  -3.584
  362    H    GLY  61           HN       GLY  61   4.687  -0.361  -3.473
  363    HA2  GLY  61           HA2      GLY  61   4.479   2.042  -5.094
  364    HA3  GLY  61           HA1      GLY  61   5.099   1.937  -3.451
  365    H    GLU  62           HN       GLU  62   6.680   3.458  -4.620
  366    HA   GLU  62           HA       GLU  62   8.598   2.095  -6.312
  367    HB2  GLU  62           HB2      GLU  62   8.421   4.931  -5.293
  368    HB3  GLU  62           HB1      GLU  62   9.683   4.339  -6.362
  369    HG2  GLU  62           HG2      GLU  62   6.755   4.406  -6.962
  370    HG3  GLU  62           HG1      GLU  62   7.977   5.486  -7.613
  371    HA   PRO  63           HA       PRO  63  11.547   1.067  -3.115
  372    HB2  PRO  63           HB2      PRO  63  13.560   2.047  -5.067
  373    HB3  PRO  63           HB1      PRO  63  13.465   0.488  -4.242
  374    HG2  PRO  63           HG2      PRO  63  12.848   0.713  -6.827
  375    HG3  PRO  63           HG1      PRO  63  11.939  -0.369  -5.757
  376    HD2  PRO  63           HD2      PRO  63  11.176   2.311  -6.833
  377    HD3  PRO  63           HD1      PRO  63  10.170   0.878  -6.546
  378    H    MET  64           HN       MET  64  11.602   2.485  -1.446
  379    HA   MET  64           HA       MET  64  12.495   5.233  -1.990
  380    HB2  MET  64           HB2      MET  64  10.456   4.290   0.030
  381    HB3  MET  64           HB1      MET  64  11.006   5.948  -0.167
  382    HG2  MET  64           HG2      MET  64   9.532   4.324  -2.226
  383    HG3  MET  64           HG1      MET  64   8.849   5.583  -1.209
  384    HE1  MET  64           HE1      MET  64  10.360   8.836  -2.576
  385    HE2  MET  64           HE2      MET  64  10.855   7.905  -1.163
  386    HE3  MET  64           HE3      MET  64   9.141   8.095  -1.535
  387    HA   PRO  65           HA       PRO  65  15.639   4.400   0.908
  388    HB2  PRO  65           HB2      PRO  65  16.413   6.855   1.620
  389    HB3  PRO  65           HB1      PRO  65  16.586   6.266  -0.036
  390    HG2  PRO  65           HG2      PRO  65  14.496   8.066   1.121
  391    HG3  PRO  65           HG1      PRO  65  15.355   8.199  -0.423
  392    HD2  PRO  65           HD2      PRO  65  12.827   7.164  -0.150
  393    HD3  PRO  65           HD1      PRO  65  13.936   6.748  -1.470
  394    H    SER  66           HN       SER  66  12.701   5.029   2.172
  395    HA   SER  66           HA       SER  66  13.634   4.473   4.810
  396    HB2  SER  66           HB2      SER  66  13.898   6.971   4.669
  397    HB3  SER  66           HB1      SER  66  12.156   7.085   4.432
  398    HG   SER  66           HG       SER  66  12.193   7.191   6.546
  399    H    VAL  67           HN       VAL  67  11.938   3.739   6.187
  400    HA   VAL  67           HA       VAL  67  10.024   2.278   4.752
  401    HB   VAL  67           HB       VAL  67  10.089   2.859   7.714
  402   HG11  VAL  67          HG11      VAL  67   7.869   2.129   7.036
  403   HG12  VAL  67          HG12      VAL  67   8.686   0.854   7.938
  404   HG13  VAL  67          HG13      VAL  67   8.564   0.751   6.183
  405   HG21  VAL  67          HG21      VAL  67  12.099   1.750   6.879
  406   HG22  VAL  67          HG22      VAL  67  11.103   0.504   6.125
  407   HG23  VAL  67          HG23      VAL  67  11.141   0.660   7.882
  408    H    LYS  68           HN       LYS  68   9.531   5.142   6.845
  409    HA   LYS  68           HA       LYS  68   6.771   5.213   6.713
  410    HB2  LYS  68           HB2      LYS  68   8.712   7.507   6.968
  411    HB3  LYS  68           HB1      LYS  68   6.983   7.634   7.254
  412    HG2  LYS  68           HG2      LYS  68   7.156   6.029   9.076
  413    HG3  LYS  68           HG1      LYS  68   8.888   5.873   8.779
  414    HD2  LYS  68           HD2      LYS  68   9.161   8.275   9.264
  415    HD3  LYS  68           HD1      LYS  68   7.437   8.380   9.624
  416    HE2  LYS  68           HE2      LYS  68   9.464   6.688  11.080
  417    HE3  LYS  68           HE1      LYS  68   8.740   8.182  11.671
  418    HZ1  LYS  68           HZ1      LYS  68   7.296   5.652  11.098
  419    HZ2  LYS  68           HZ2      LYS  68   6.572   7.089  11.619
  420    HZ3  LYS  68           HZ3      LYS  68   7.652   6.270  12.631
  421    H    LYS  69           HN       LYS  69   9.098   6.700   4.450
  422    HA   LYS  69           HA       LYS  69   6.957   7.894   2.948
  423    HB2  LYS  69           HB2      LYS  69   8.697   8.741   1.468
  424    HB3  LYS  69           HB1      LYS  69   9.078   9.079   3.149
  425    HG2  LYS  69           HG2      LYS  69  10.480   6.935   3.037
  426    HG3  LYS  69           HG1      LYS  69  10.343   7.120   1.291
  427    HD2  LYS  69           HD2      LYS  69  11.474   9.170   3.201
  428    HD3  LYS  69           HD1      LYS  69  12.416   8.117   2.151
  429    HE2  LYS  69           HE2      LYS  69  12.370  10.090   0.951
  430    HE3  LYS  69           HE1      LYS  69  11.029   9.198   0.243
  431    HZ1  LYS  69           HZ1      LYS  69  10.817  11.330   2.297
  432    HZ2  LYS  69           HZ2      LYS  69   9.515  10.449   1.680
  433    HZ3  LYS  69           HZ3      LYS  69  10.400  11.467   0.665
  434    H    ALA  70           HN       ALA  70   8.808   4.943   2.863
  435    HA   ALA  70           HA       ALA  70   8.196   4.109   0.271
  436    HB1  ALA  70           HB1      ALA  70   9.784   2.946   1.742
  437    HB2  ALA  70           HB2      ALA  70   8.580   1.847   1.067
  438    HB3  ALA  70           HB3      ALA  70   8.438   2.390   2.739
  439    H    LYS  71           HN       LYS  71   6.443   3.302   3.286
  440    HA   LYS  71           HA       LYS  71   4.239   2.099   2.106
  441    HB2  LYS  71           HB2      LYS  71   3.294   2.046   4.172
  442    HB3  LYS  71           HB1      LYS  71   4.942   2.422   4.645
  443    HG2  LYS  71           HG2      LYS  71   4.407   4.719   4.949
  444    HG3  LYS  71           HG1      LYS  71   2.822   4.488   4.212
  445    HD2  LYS  71           HD2      LYS  71   2.255   2.937   6.086
  446    HD3  LYS  71           HD1      LYS  71   3.788   3.376   6.842
  447    HE2  LYS  71           HE2      LYS  71   3.080   5.713   6.926
  448    HE3  LYS  71           HE1      LYS  71   1.555   5.282   6.154
  449    HZ1  LYS  71           HZ1      LYS  71   1.235   5.468   8.506
  450    HZ2  LYS  71           HZ2      LYS  71   2.502   4.395   8.820
  451    HZ3  LYS  71           HZ3      LYS  71   1.090   3.838   8.075
  452    H    ASP  72           HN       ASP  72   4.774   5.487   2.900
  453    HA   ASP  72           HA       ASP  72   2.398   6.599   2.112
  454    HB2  ASP  72           HB2      ASP  72   4.225   7.846   3.170
  455    HB3  ASP  72           HB1      ASP  72   5.165   7.732   1.685
  456    H    SER  73           HN       SER  73   5.202   5.890   0.001
  457    HA   SER  73           HA       SER  73   4.157   7.004  -2.332
  458    HB2  SER  73           HB2      SER  73   6.516   6.397  -2.073
  459    HB3  SER  73           HB1      SER  73   6.084   4.690  -1.996
  460    HG   SER  73           HG       SER  73   5.631   6.413  -4.214
  461    H    ALA  74           HN       ALA  74   3.910   3.701  -1.067
  462    HA   ALA  74           HA       ALA  74   2.578   2.665  -3.372
  463    HB1  ALA  74           HB1      ALA  74   3.893   1.312  -1.728
  464    HB2  ALA  74           HB2      ALA  74   2.304   0.660  -2.118
  465    HB3  ALA  74           HB3      ALA  74   2.555   1.508  -0.590
  466    H    ALA  75           HN       ALA  75   1.528   3.801  -0.222
  467    HA   ALA  75           HA       ALA  75  -1.192   3.332  -0.317
  468    HB1  ALA  75           HB1      ALA  75  -1.457   5.206   1.212
  469    HB2  ALA  75           HB2      ALA  75   0.156   5.789   0.801
  470    HB3  ALA  75           HB3      ALA  75  -0.039   4.248   1.639
  471    H    VAL  76           HN       VAL  76   0.654   5.844  -1.982
  472    HA   VAL  76           HA       VAL  76  -1.475   7.479  -2.807
  473    HB   VAL  76           HB       VAL  76   1.168   6.944  -4.182
  474   HG11  VAL  76          HG11      VAL  76   0.819   9.045  -5.363
  475   HG12  VAL  76          HG12      VAL  76  -0.761   9.226  -4.600
  476   HG13  VAL  76          HG13      VAL  76  -0.475   7.903  -5.732
  477   HG21  VAL  76          HG21      VAL  76   1.446   7.829  -1.940
  478   HG22  VAL  76          HG22      VAL  76   0.320   9.139  -2.296
  479   HG23  VAL  76          HG23      VAL  76   1.868   9.056  -3.136
  480    H    LEU  77           HN       LEU  77  -0.129   4.520  -4.131
  481    HA   LEU  77           HA       LEU  77  -1.627   4.636  -6.587
  482    HB2  LEU  77           HB2      LEU  77  -0.191   2.299  -5.319
  483    HB3  LEU  77           HB1      LEU  77  -0.712   2.423  -6.983
  484    HG   LEU  77           HG       LEU  77   1.420   4.131  -5.705
  485   HD11  LEU  77          HD11      LEU  77   2.967   2.872  -7.104
  486   HD12  LEU  77          HD12      LEU  77   1.640   1.857  -7.667
  487   HD13  LEU  77          HD13      LEU  77   2.124   1.814  -5.971
  488   HD21  LEU  77          HD21      LEU  77   0.486   3.941  -8.563
  489   HD22  LEU  77          HD22      LEU  77   1.869   4.874  -7.992
  490   HD23  LEU  77          HD23      LEU  77   0.239   5.305  -7.474
  491    H    LEU  78           HN       LEU  78  -1.874   3.207  -3.442
  492    HA   LEU  78           HA       LEU  78  -4.009   1.424  -3.871
  493    HB2  LEU  78           HB2      LEU  78  -2.501   1.392  -1.939
  494    HB3  LEU  78           HB1      LEU  78  -3.160   2.922  -1.407
  495    HG   LEU  78           HG       LEU  78  -5.414   1.668  -1.314
  496   HD11  LEU  78          HD11      LEU  78  -4.526  -0.345  -2.496
  497   HD12  LEU  78          HD12      LEU  78  -5.303  -0.691  -0.956
  498   HD13  LEU  78          HD13      LEU  78  -3.547  -0.688  -1.071
  499   HD21  LEU  78          HD21      LEU  78  -4.647   2.413   0.705
  500   HD22  LEU  78          HD22      LEU  78  -3.095   1.596   0.544
  501   HD23  LEU  78          HD23      LEU  78  -4.542   0.670   0.971
  502    H    LEU  79           HN       LEU  79  -3.860   4.796  -2.849
  503    HA   LEU  79           HA       LEU  79  -6.600   5.216  -2.425
  504    HB2  LEU  79           HB2      LEU  79  -4.228   6.906  -2.900
  505    HB3  LEU  79           HB1      LEU  79  -5.772   7.644  -3.271
  506    HG   LEU  79           HG       LEU  79  -6.535   7.314  -0.993
  507   HD11  LEU  79          HD11      LEU  79  -5.038   6.418   0.731
  508   HD12  LEU  79          HD12      LEU  79  -3.862   6.002  -0.518
  509   HD13  LEU  79          HD13      LEU  79  -5.437   5.209  -0.489
  510   HD21  LEU  79          HD21      LEU  79  -4.976   8.796   0.155
  511   HD22  LEU  79          HD22      LEU  79  -5.272   9.332  -1.499
  512   HD23  LEU  79          HD23      LEU  79  -3.769   8.502  -1.096
  513    H    GLU  80           HN       GLU  80  -4.743   4.993  -5.348
  514    HA   GLU  80           HA       GLU  80  -6.727   6.165  -7.053
  515    HB2  GLU  80           HB2      GLU  80  -4.428   4.306  -7.698
  516    HB3  GLU  80           HB1      GLU  80  -5.396   5.182  -8.882
  517    HG2  GLU  80           HG2      GLU  80  -4.627   7.304  -7.826
  518    HG3  GLU  80           HG1      GLU  80  -3.546   6.347  -6.817
  519    H    LEU  81           HN       LEU  81  -5.920   2.965  -5.925
  520    HA   LEU  81           HA       LEU  81  -7.706   1.473  -7.529
  521    HB2  LEU  81           HB2      LEU  81  -5.726   0.666  -6.145
  522    HB3  LEU  81           HB1      LEU  81  -6.770   0.814  -4.754
  523    HG   LEU  81           HG       LEU  81  -7.488  -0.946  -7.076
  524   HD11  LEU  81          HD11      LEU  81  -6.532  -2.810  -5.775
  525   HD12  LEU  81          HD12      LEU  81  -5.867  -1.643  -4.631
  526   HD13  LEU  81          HD13      LEU  81  -5.309  -1.658  -6.303
  527   HD21  LEU  81          HD21      LEU  81  -9.280  -0.404  -5.483
  528   HD22  LEU  81          HD22      LEU  81  -8.278  -0.999  -4.162
  529   HD23  LEU  81          HD23      LEU  81  -8.840  -2.110  -5.411
  530    H    LEU  82           HN       LEU  82  -7.899   2.814  -4.274
  531    HA   LEU  82           HA       LEU  82 -10.582   2.087  -3.771
  532    HB2  LEU  82           HB2      LEU  82  -8.508   3.774  -2.509
  533    HB3  LEU  82           HB1      LEU  82 -10.167   4.129  -2.075
  534    HG   LEU  82           HG       LEU  82 -10.485   2.047  -1.077
  535   HD11  LEU  82          HD11      LEU  82  -8.873   0.181  -1.231
  536   HD12  LEU  82          HD12      LEU  82  -7.973   1.102  -2.437
  537   HD13  LEU  82          HD13      LEU  82  -9.626   0.582  -2.772
  538   HD21  LEU  82          HD21      LEU  82  -9.060   3.520   0.241
  539   HD22  LEU  82          HD22      LEU  82  -7.630   2.815  -0.512
  540   HD23  LEU  82          HD23      LEU  82  -8.658   1.827   0.526
  541    H    ASN  83           HN       ASN  83  -9.290   4.466  -5.782
  542    HA   ASN  83           HA       ASN  83 -11.592   6.231  -5.607
  543    HB2  ASN  83           HB2      ASN  83  -9.384   7.186  -6.102
  544    HB3  ASN  83           HB1      ASN  83  -9.260   6.181  -7.540
  545   HD21  ASN  83          HD21      ASN  83 -10.853   8.917  -6.086
  546   HD22  ASN  83          HD22      ASN  83 -11.459   9.592  -7.556
  547    H    LYS  84           HN       LYS  84 -10.953   3.278  -6.877
  548    HA   LYS  84           HA       LYS  84 -12.778   3.633  -9.150
  549    HB2  LYS  84           HB2      LYS  84 -10.552   1.629  -8.761
  550    HB3  LYS  84           HB1      LYS  84 -11.699   1.585 -10.093
  551    HG2  LYS  84           HG2      LYS  84 -10.872   3.585 -11.008
  552    HG3  LYS  84           HG1      LYS  84  -9.976   3.972  -9.541
  553    HD2  LYS  84           HD2      LYS  84  -8.492   2.076  -9.934
  554    HD3  LYS  84           HD1      LYS  84  -9.413   1.642 -11.376
  555    HE2  LYS  84           HE2      LYS  84  -7.429   2.818 -12.045
  556    HE3  LYS  84           HE1      LYS  84  -8.828   3.846 -12.351
  557    HZ1  LYS  84           HZ1      LYS  84  -7.038   5.101 -11.356
  558    HZ2  LYS  84           HZ2      LYS  84  -6.988   4.054 -10.033
  559    HZ3  LYS  84           HZ3      LYS  84  -8.344   5.029 -10.286
  560    H    THR  85           HN       THR  85 -13.841   3.384  -6.672
  561    HA   THR  85           HA       THR  85 -14.611   0.570  -6.398
  562    HB   THR  85           HB       THR  85 -15.563   1.306  -4.183
  563    HG1  THR  85           HG1      THR  85 -15.514   3.630  -4.950
  564   HG21  THR  85          HG21      THR  85 -13.388   1.456  -3.060
  565   HG22  THR  85          HG22      THR  85 -12.611   1.799  -4.606
  566   HG23  THR  85          HG23      THR  85 -13.369   0.230  -4.328
  Start of MODEL    7
    1    H1   ASN  15           HT1      ASN  15  -5.160   4.848   4.184
    2    H2   ASN  15           HT2      ASN  15  -3.866   4.174   5.036
    3    H3   ASN  15           HT3      ASN  15  -4.593   5.591   5.593
    4    HA   ASN  15           HA       ASN  15  -5.849   2.920   5.444
    5    HB2  ASN  15           HB2      ASN  15  -5.844   2.973   7.881
    6    HB3  ASN  15           HB1      ASN  15  -4.203   3.159   7.277
    7   HD21  ASN  15          HD21      ASN  15  -3.109   5.055   7.641
    8   HD22  ASN  15          HD22      ASN  15  -3.710   6.310   8.669
    9    H    ASP  16           HN       ASP  16  -6.362   6.302   5.364
   10    HA   ASP  16           HA       ASP  16  -8.695   6.442   6.977
   11    HB2  ASP  16           HB2      ASP  16  -7.308   8.257   5.067
   12    HB3  ASP  16           HB1      ASP  16  -8.978   8.618   5.477
   13    H    ILE  17           HN       ILE  17  -8.213   6.200   3.458
   14    HA   ILE  17           HA       ILE  17 -10.949   6.339   2.817
   15    HB   ILE  17           HB       ILE  17  -8.631   5.186   1.265
   16   HG12  ILE  17          HG12      ILE  17  -9.156   7.217  -0.175
   17   HG13  ILE  17          HG11      ILE  17 -10.217   7.744   1.121
   18   HG21  ILE  17          HG21      ILE  17 -10.662   4.019   0.581
   19   HG22  ILE  17          HG22      ILE  17 -10.106   5.110  -0.688
   20   HG23  ILE  17          HG23      ILE  17 -11.473   5.563   0.328
   21   HD11  ILE  17          HD11      ILE  17  -8.339   7.816   2.645
   22   HD12  ILE  17          HD12      ILE  17  -8.073   8.850   1.240
   23   HD13  ILE  17          HD13      ILE  17  -7.262   7.287   1.353
   24    H    CYS  18           HN       CYS  18  -8.842   3.688   3.670
   25    HA   CYS  18           HA       CYS  18 -10.660   1.596   2.988
   26    HB2  CYS  18           HB2      CYS  18  -8.206   1.255   3.255
   27    HB3  CYS  18           HB1      CYS  18  -8.378   1.549   4.980
   28    HG   CYS  18           HG       CYS  18  -9.650  -0.755   5.601
   29    H    LEU  19           HN       LEU  19  -9.911   3.416   5.873
   30    HA   LEU  19           HA       LEU  19 -11.525   2.029   7.712
   31    HB2  LEU  19           HB2      LEU  19  -9.723   3.654   8.225
   32    HB3  LEU  19           HB1      LEU  19 -10.771   4.943   7.698
   33    HG   LEU  19           HG       LEU  19 -12.353   4.371   9.512
   34   HD11  LEU  19          HD11      LEU  19 -10.184   2.463  10.374
   35   HD12  LEU  19          HD12      LEU  19 -11.784   2.017   9.784
   36   HD13  LEU  19          HD13      LEU  19 -11.616   2.886  11.309
   37   HD21  LEU  19          HD21      LEU  19  -9.530   4.917  10.413
   38   HD22  LEU  19          HD22      LEU  19 -11.000   5.284  11.316
   39   HD23  LEU  19          HD23      LEU  19 -10.666   6.116   9.796
   40    H    ARG  20           HN       ARG  20 -12.094   4.951   5.786
   41    HA   ARG  20           HA       ARG  20 -14.658   5.547   6.734
   42    HB2  ARG  20           HB2      ARG  20 -13.175   7.075   5.439
   43    HB3  ARG  20           HB1      ARG  20 -13.510   6.128   3.998
   44    HG2  ARG  20           HG2      ARG  20 -15.884   6.701   4.176
   45    HG3  ARG  20           HG1      ARG  20 -15.535   7.673   5.606
   46    HD2  ARG  20           HD2      ARG  20 -14.022   9.069   4.251
   47    HD3  ARG  20           HD1      ARG  20 -14.453   8.122   2.828
   48    HE   ARG  20           HE       ARG  20 -16.834   9.045   3.879
   49   HH11  ARG  20          HH11      ARG  20 -13.895  10.431   2.587
   50   HH12  ARG  20          HH12      ARG  20 -14.662  11.890   2.048
   51   HH21  ARG  20          HH21      ARG  20 -17.860  10.960   3.155
   52   HH22  ARG  20          HH22      ARG  20 -16.920  12.187   2.363
   53    H    LYS  21           HN       LYS  21 -13.597   3.437   4.132
   54    HA   LYS  21           HA       LYS  21 -16.163   3.076   2.950
   55    HB2  LYS  21           HB2      LYS  21 -13.482   1.795   2.680
   56    HB3  LYS  21           HB1      LYS  21 -14.886   1.042   1.927
   57    HG2  LYS  21           HG2      LYS  21 -14.009   3.885   1.466
   58    HG3  LYS  21           HG1      LYS  21 -13.635   2.524   0.404
   59    HD2  LYS  21           HD2      LYS  21 -16.447   3.226   1.162
   60    HD3  LYS  21           HD1      LYS  21 -15.647   3.969  -0.210
   61    HE2  LYS  21           HE2      LYS  21 -15.226   1.692  -1.112
   62    HE3  LYS  21           HE1      LYS  21 -16.167   1.034   0.223
   63    HZ1  LYS  21           HZ1      LYS  21 -18.079   2.296  -0.572
   64    HZ2  LYS  21           HZ2      LYS  21 -17.511   1.233  -1.756
   65    HZ3  LYS  21           HZ3      LYS  21 -17.170   2.883  -1.871
   66    H    ASN  22           HN       ASN  22 -15.349   2.288   5.878
   67    HA   ASN  22           HA       ASN  22 -15.999   0.820   7.461
   68    HB2  ASN  22           HB2      ASN  22 -18.245   1.342   6.487
   69    HB3  ASN  22           HB1      ASN  22 -18.082  -0.072   5.453
   70   HD21  ASN  22          HD21      ASN  22 -19.914  -1.020   6.355
   71   HD22  ASN  22          HD22      ASN  22 -19.905  -1.712   7.939
   72    H    TRP  23           HN       TRP  23 -13.960   0.116   5.620
   73    HA   TRP  23           HA       TRP  23 -14.144  -2.802   5.495
   74    HB2  TRP  23           HB2      TRP  23 -12.018  -0.868   4.536
   75    HB3  TRP  23           HB1      TRP  23 -11.915  -2.611   4.370
   76    HD1  TRP  23           HD1      TRP  23 -15.150  -2.753   3.411
   77    HE1  TRP  23           HE1      TRP  23 -15.589  -2.187   0.926
   78    HE3  TRP  23           HE3      TRP  23 -10.871  -0.188   2.412
   79    HZ2  TRP  23           HZ2      TRP  23 -14.239  -0.849  -1.187
   80    HZ3  TRP  23           HZ3      TRP  23 -10.514   0.704   0.163
   81    HH2  TRP  23           HH2      TRP  23 -12.160   0.385  -1.603
   82    HA   PRO  24           HA       PRO  24 -11.562  -3.256   9.120
   83    HB2  PRO  24           HB2      PRO  24  -9.905  -5.285   8.419
   84    HB3  PRO  24           HB1      PRO  24 -11.596  -5.531   8.860
   85    HG2  PRO  24           HG2      PRO  24 -10.344  -5.388   6.152
   86    HG3  PRO  24           HG1      PRO  24 -11.601  -6.485   6.747
   87    HD2  PRO  24           HD2      PRO  24 -12.149  -4.318   5.216
   88    HD3  PRO  24           HD1      PRO  24 -13.276  -4.932   6.438
   89    H    MET  25           HN       MET  25  -8.922  -3.818   9.436
   90    HA   MET  25           HA       MET  25  -7.701  -1.439   8.380
   91    HB2  MET  25           HB2      MET  25  -6.565  -3.617  10.135
   92    HB3  MET  25           HB1      MET  25  -5.789  -2.078   9.787
   93    HG2  MET  25           HG2      MET  25  -8.514  -2.101  10.985
   94    HG3  MET  25           HG1      MET  25  -7.121  -2.442  12.000
   95    HE1  MET  25           HE1      MET  25  -8.241   1.595  10.087
   96    HE2  MET  25           HE2      MET  25  -9.103   0.064   9.918
   97    HE3  MET  25           HE3      MET  25  -7.626   0.355   8.999
   98    HA   PRO  26           HA       PRO  26  -5.961  -3.434   4.847
   99    HB2  PRO  26           HB2      PRO  26  -3.955  -1.354   4.688
  100    HB3  PRO  26           HB1      PRO  26  -5.336  -1.640   3.636
  101    HG2  PRO  26           HG2      PRO  26  -5.145   0.499   5.316
  102    HG3  PRO  26           HG1      PRO  26  -6.684  -0.205   4.788
  103    HD2  PRO  26           HD2      PRO  26  -5.241  -0.517   7.382
  104    HD3  PRO  26           HD1      PRO  26  -6.982  -0.418   7.055
  105    H    SER  27           HN       SER  27  -3.992  -4.332   4.060
  106    HA   SER  27           HA       SER  27  -2.208  -5.202   6.182
  107    HB2  SER  27           HB2      SER  27  -3.123  -6.781   4.450
  108    HB3  SER  27           HB1      SER  27  -2.157  -5.931   3.249
  109    HG   SER  27           HG       SER  27  -0.934  -7.631   3.900
  110    H    TYR  28           HN       TYR  28  -0.024  -4.726   6.295
  111    HA   TYR  28           HA       TYR  28   1.121  -3.063   4.231
  112    HB2  TYR  28           HB2      TYR  28   0.868  -2.219   7.115
  113    HB3  TYR  28           HB1      TYR  28   2.144  -1.590   6.082
  114    HD1  TYR  28           HD2      TYR  28  -1.483  -1.612   6.712
  115    HD2  TYR  28           HD1      TYR  28   1.656   0.034   4.342
  116    HE1  TYR  28           HE2      TYR  28  -3.008   0.141   5.910
  117    HE2  TYR  28           HE1      TYR  28   0.139   1.785   3.537
  118    HH   TYR  28           HH       TYR  28  -2.269   2.154   3.272
  119    H    ARG  29           HN       ARG  29   2.891  -4.242   3.682
  120    HA   ARG  29           HA       ARG  29   4.560  -5.371   5.782
  121    HB2  ARG  29           HB2      ARG  29   4.541  -7.604   4.767
  122    HB3  ARG  29           HB1      ARG  29   2.933  -7.140   5.299
  123    HG2  ARG  29           HG2      ARG  29   2.290  -6.619   3.030
  124    HG3  ARG  29           HG1      ARG  29   3.923  -6.963   2.460
  125    HD2  ARG  29           HD2      ARG  29   3.656  -9.294   3.262
  126    HD3  ARG  29           HD1      ARG  29   1.985  -8.919   3.686
  127    HE   ARG  29           HE       ARG  29   2.165  -8.215   1.065
  128   HH11  ARG  29          HH11      ARG  29   2.843 -11.154   2.842
  129   HH12  ARG  29          HH12      ARG  29   2.508 -12.191   1.493
  130   HH21  ARG  29          HH21      ARG  29   1.724  -9.561  -0.701
  131   HH22  ARG  29          HH22      ARG  29   1.878 -11.288  -0.532
  132    H    CYS  30           HN       CYS  30   6.657  -5.227   5.283
  133    HA   CYS  30           HA       CYS  30   7.481  -3.861   2.950
  134    HB2  CYS  30           HB2      CYS  30   8.694  -3.740   5.093
  135    HB3  CYS  30           HB1      CYS  30   9.148  -5.432   4.924
  136    HG   CYS  30           HG       CYS  30  11.085  -5.132   3.182
  137    H    VAL  31           HN       VAL  31   7.763  -4.625   0.980
  138    HA   VAL  31           HA       VAL  31   7.741  -7.487   0.527
  139    HB   VAL  31           HB       VAL  31   7.745  -5.211  -1.463
  140   HG11  VAL  31          HG11      VAL  31   8.625  -7.253  -2.448
  141   HG12  VAL  31          HG12      VAL  31   7.018  -6.907  -3.086
  142   HG13  VAL  31          HG13      VAL  31   7.230  -8.158  -1.861
  143   HG21  VAL  31          HG21      VAL  31   5.486  -6.917  -0.423
  144   HG22  VAL  31          HG22      VAL  31   5.359  -5.730  -1.721
  145   HG23  VAL  31          HG23      VAL  31   5.747  -5.206  -0.082
  146    H    LYS  32           HN       LYS  32   9.893  -4.721  -0.074
  147    HA   LYS  32           HA       LYS  32  12.103  -6.630  -0.286
  148    HB2  LYS  32           HB2      LYS  32  11.379  -5.901  -2.586
  149    HB3  LYS  32           HB1      LYS  32  11.809  -4.260  -2.125
  150    HG2  LYS  32           HG2      LYS  32  14.121  -5.085  -1.658
  151    HG3  LYS  32           HG1      LYS  32  13.643  -6.624  -2.373
  152    HD2  LYS  32           HD2      LYS  32  13.095  -5.462  -4.468
  153    HD3  LYS  32           HD1      LYS  32  13.620  -3.938  -3.746
  154    HE2  LYS  32           HE2      LYS  32  15.318  -6.376  -4.262
  155    HE3  LYS  32           HE1      LYS  32  15.391  -4.840  -5.123
  156    HZ1  LYS  32           HZ1      LYS  32  16.046  -5.266  -2.256
  157    HZ2  LYS  32           HZ2      LYS  32  16.071  -3.774  -3.048
  158    HZ3  LYS  32           HZ3      LYS  32  17.153  -4.988  -3.503
  159    H    GLU  33           HN       GLU  33  13.674  -6.114   1.045
  160    HA   GLU  33           HA       GLU  33  14.448  -3.347   1.448
  161    HB2  GLU  33           HB2      GLU  33  12.827  -3.751   3.264
  162    HB3  GLU  33           HB1      GLU  33  13.758  -5.148   3.782
  163    HG2  GLU  33           HG2      GLU  33  15.673  -3.656   4.235
  164    HG3  GLU  33           HG1      GLU  33  14.661  -2.278   3.814
  165    H    GLY  34           HN       GLY  34  16.633  -3.134   1.837
  166    HA2  GLY  34           HA2      GLY  34  18.803  -3.782   2.308
  167    HA3  GLY  34           HA1      GLY  34  18.202  -5.374   2.739
  168    H    GLY  35           HN       GLY  35  20.066  -6.182   1.621
  169    HA2  GLY  35           HA2      GLY  35  20.016  -7.424  -0.659
  170    HA3  GLY  35           HA1      GLY  35  20.090  -5.782  -1.283
  171    HA   PRO  36           HA       PRO  36  24.499  -7.136  -1.181
  172    HB2  PRO  36           HB2      PRO  36  24.524  -4.653  -2.843
  173    HB3  PRO  36           HB1      PRO  36  25.340  -6.196  -3.112
  174    HG2  PRO  36           HG2      PRO  36  23.170  -5.561  -4.509
  175    HG3  PRO  36           HG1      PRO  36  23.426  -7.220  -3.936
  176    HD2  PRO  36           HD2      PRO  36  21.594  -5.115  -2.888
  177    HD3  PRO  36           HD1      PRO  36  21.353  -6.871  -2.985
  178    H    ALA  37           HN       ALA  37  23.805  -3.660  -1.413
  179    HA   ALA  37           HA       ALA  37  24.230  -3.054   1.302
  180    HB1  ALA  37           HB1      ALA  37  26.584  -3.627   0.715
  181    HB2  ALA  37           HB2      ALA  37  26.374  -1.966   1.265
  182    HB3  ALA  37           HB3      ALA  37  26.569  -2.306  -0.453
  183    H    HIS  38           HN       HIS  38  24.550  -1.939  -2.018
  184    HA   HIS  38           HA       HIS  38  23.709   0.744  -1.402
  185    HB2  HIS  38           HB2      HIS  38  23.767   1.078  -3.858
  186    HB3  HIS  38           HB1      HIS  38  25.262   0.391  -3.239
  187    HD1  HIS  38           HD1      HIS  38  26.063  -1.710  -4.330
  188    HD2  HIS  38           HD2      HIS  38  22.077  -0.910  -5.202
  189    HE1  HIS  38           HE1      HIS  38  25.383  -3.434  -6.024
  190    HE2  HIS  38           HE2      HIS  38  22.963  -2.952  -6.523
  191    H    ALA  39           HN       ALA  39  21.875  -1.616  -0.851
  192    HA   ALA  39           HA       ALA  39  19.632  -0.792  -2.573
  193    HB1  ALA  39           HB1      ALA  39  20.159  -3.545  -1.467
  194    HB2  ALA  39           HB2      ALA  39  20.422  -3.035  -3.135
  195    HB3  ALA  39           HB3      ALA  39  18.788  -3.071  -2.469
  196    H    LYS  40           HN       LYS  40  20.146   0.520  -0.167
  197    HA   LYS  40           HA       LYS  40  18.298  -0.590   1.780
  198    HB2  LYS  40           HB2      LYS  40  20.507   0.738   2.278
  199    HB3  LYS  40           HB1      LYS  40  19.477   2.139   2.036
  200    HG2  LYS  40           HG2      LYS  40  19.549   1.688   4.366
  201    HG3  LYS  40           HG1      LYS  40  17.944   1.257   3.772
  202    HD2  LYS  40           HD2      LYS  40  18.589  -1.098   3.715
  203    HD3  LYS  40           HD1      LYS  40  20.207  -0.675   4.279
  204    HE2  LYS  40           HE2      LYS  40  19.218   0.240   6.343
  205    HE3  LYS  40           HE1      LYS  40  17.622  -0.254   5.780
  206    HZ1  LYS  40           HZ1      LYS  40  18.524  -1.861   7.320
  207    HZ2  LYS  40           HZ2      LYS  40  19.901  -2.065   6.363
  208    HZ3  LYS  40           HZ3      LYS  40  18.392  -2.556   5.785
  209    H    ARG  41           HN       ARG  41  17.711   0.586  -0.998
  210    HA   ARG  41           HA       ARG  41  15.587   2.440  -0.269
  211    HB2  ARG  41           HB2      ARG  41  16.122   1.127  -2.945
  212    HB3  ARG  41           HB1      ARG  41  14.967   2.412  -2.641
  213    HG2  ARG  41           HG2      ARG  41  16.778   3.924  -2.039
  214    HG3  ARG  41           HG1      ARG  41  17.950   2.638  -2.320
  215    HD2  ARG  41           HD2      ARG  41  17.897   4.082  -4.237
  216    HD3  ARG  41           HD1      ARG  41  17.200   2.523  -4.673
  217    HE   ARG  41           HE       ARG  41  15.076   4.126  -3.928
  218   HH11  ARG  41          HH11      ARG  41  17.596   4.196  -6.362
  219   HH12  ARG  41          HH12      ARG  41  16.632   5.062  -7.515
  220   HH21  ARG  41          HH21      ARG  41  13.813   5.294  -5.441
  221   HH22  ARG  41          HH22      ARG  41  14.499   5.718  -6.982
  222    H    PHE  42           HN       PHE  42  13.510   1.877   0.006
  223    HA   PHE  42           HA       PHE  42  13.078  -1.025   0.262
  224    HB2  PHE  42           HB2      PHE  42  11.503   1.075   1.734
  225    HB3  PHE  42           HB1      PHE  42  11.725  -0.620   2.151
  226    HD1  PHE  42           HD1      PHE  42  14.522  -1.082   2.213
  227    HD2  PHE  42           HD2      PHE  42  12.405   2.438   3.317
  228    HE1  PHE  42           HE1      PHE  42  16.369  -0.444   3.719
  229    HE2  PHE  42           HE2      PHE  42  14.236   3.074   4.827
  230    HZ   PHE  42           HZ       PHE  42  16.216   1.632   5.034
  231    H    THR  43           HN       THR  43  11.260  -1.973  -0.471
  232    HA   THR  43           HA       THR  43   9.329  -0.299  -1.927
  233    HB   THR  43           HB       THR  43  10.417  -2.953  -2.901
  234    HG1  THR  43           HG1      THR  43  11.300  -0.363  -3.206
  235   HG21  THR  43          HG21      THR  43   8.130  -2.490  -3.630
  236   HG22  THR  43          HG22      THR  43   9.255  -2.385  -4.983
  237   HG23  THR  43          HG23      THR  43   8.634  -0.913  -4.236
  238    H    PHE  44           HN       PHE  44   7.246  -0.740  -1.325
  239    HA   PHE  44           HA       PHE  44   6.737  -3.279   0.032
  240    HB2  PHE  44           HB2      PHE  44   6.762  -2.118   1.981
  241    HB3  PHE  44           HB1      PHE  44   6.764  -0.567   1.145
  242    HD1  PHE  44           HD2      PHE  44   4.614  -3.297   2.348
  243    HD2  PHE  44           HD1      PHE  44   4.834   0.724   1.012
  244    HE1  PHE  44           HE2      PHE  44   2.311  -2.921   3.098
  245    HE2  PHE  44           HE1      PHE  44   2.541   1.109   1.776
  246    HZ   PHE  44           HZ       PHE  44   1.211  -0.742   2.626
  247    H    GLY  45           HN       GLY  45   4.411  -3.830   0.071
  248    HA2  GLY  45           HA2      GLY  45   2.832  -2.333  -1.925
  249    HA3  GLY  45           HA1      GLY  45   2.922  -4.088  -1.973
  250    H    VAL  46           HN       VAL  46   0.640  -2.163  -1.523
  251    HA   VAL  46           HA       VAL  46  -0.118  -2.876   1.243
  252    HB   VAL  46           HB       VAL  46  -1.805  -1.024  -0.353
  253   HG11  VAL  46          HG11      VAL  46  -1.963   0.114   1.848
  254   HG12  VAL  46          HG12      VAL  46  -0.921  -1.140   2.517
  255   HG13  VAL  46          HG13      VAL  46  -2.502  -1.564   1.859
  256   HG21  VAL  46          HG21      VAL  46   0.348  -0.152  -0.933
  257   HG22  VAL  46          HG22      VAL  46   0.866  -0.200   0.751
  258   HG23  VAL  46          HG23      VAL  46  -0.404   0.915   0.252
  259    H    ARG  47           HN       ARG  47  -2.327  -3.584   1.659
  260    HA   ARG  47           HA       ARG  47  -3.769  -4.621  -0.661
  261    HB2  ARG  47           HB2      ARG  47  -2.264  -6.224   1.047
  262    HB3  ARG  47           HB1      ARG  47  -3.873  -6.279   1.749
  263    HG2  ARG  47           HG2      ARG  47  -3.727  -8.135   0.348
  264    HG3  ARG  47           HG1      ARG  47  -4.718  -6.955  -0.512
  265    HD2  ARG  47           HD2      ARG  47  -2.817  -6.307  -1.861
  266    HD3  ARG  47           HD1      ARG  47  -1.766  -7.386  -0.948
  267    HE   ARG  47           HE       ARG  47  -4.008  -8.340  -2.621
  268   HH11  ARG  47          HH11      ARG  47  -0.687  -8.632  -1.491
  269   HH12  ARG  47          HH12      ARG  47  -0.359 -10.031  -2.458
  270   HH21  ARG  47          HH21      ARG  47  -3.554 -10.188  -3.880
  271   HH22  ARG  47          HH22      ARG  47  -1.978 -10.913  -3.815
  272    H    VAL  48           HN       VAL  48  -5.991  -4.442  -0.370
  273    HA   VAL  48           HA       VAL  48  -6.943  -3.633   2.295
  274    HB   VAL  48           HB       VAL  48  -7.541  -2.292  -0.337
  275   HG11  VAL  48          HG11      VAL  48  -9.674  -2.699   0.750
  276   HG12  VAL  48          HG12      VAL  48  -9.256  -0.986   0.807
  277   HG13  VAL  48          HG13      VAL  48  -9.058  -1.990   2.243
  278   HG21  VAL  48          HG21      VAL  48  -5.616  -1.512   1.011
  279   HG22  VAL  48          HG22      VAL  48  -6.727  -1.175   2.339
  280   HG23  VAL  48          HG23      VAL  48  -6.871  -0.288   0.821
  281    H    ASN  49           HN       ASN  49  -9.163  -4.209   2.762
  282    HA   ASN  49           HA       ASN  49  -9.984  -6.532   1.178
  283    HB2  ASN  49           HB2      ASN  49  -9.531  -6.778   3.660
  284    HB3  ASN  49           HB1      ASN  49 -10.977  -5.811   3.935
  285   HD21  ASN  49          HD21      ASN  49 -12.985  -6.710   3.575
  286   HD22  ASN  49          HD22      ASN  49 -13.217  -8.396   3.268
  287    H    THR  50           HN       THR  50 -10.973  -5.499  -0.387
  288    HA   THR  50           HA       THR  50 -13.127  -3.606  -0.044
  289    HB   THR  50           HB       THR  50 -13.737  -4.068  -2.421
  290    HG1  THR  50           HG1      THR  50 -11.520  -5.872  -2.259
  291   HG21  THR  50          HG21      THR  50 -10.827  -3.486  -1.877
  292   HG22  THR  50          HG22      THR  50 -12.147  -2.317  -1.906
  293   HG23  THR  50          HG23      THR  50 -11.668  -3.143  -3.388
  294    H    SER  51           HN       SER  51 -14.936  -4.020   0.861
  295    HA   SER  51           HA       SER  51 -15.894  -6.419   1.737
  296    HB2  SER  51           HB2      SER  51 -17.311  -3.861   1.051
  297    HB3  SER  51           HB1      SER  51 -18.127  -5.205   1.858
  298    HG   SER  51           HG       SER  51 -17.317  -3.729   3.375
  299    H    ASP  52           HN       ASP  52 -16.247  -5.124  -1.480
  300    HA   ASP  52           HA       ASP  52 -18.408  -6.965  -2.112
  301    HB2  ASP  52           HB2      ASP  52 -18.531  -5.810  -4.226
  302    HB3  ASP  52           HB1      ASP  52 -18.482  -4.634  -2.918
  303    H    ARG  53           HN       ARG  53 -14.969  -6.986  -2.295
  304    HA   ARG  53           HA       ARG  53 -15.094  -9.115  -4.320
  305    HB2  ARG  53           HB2      ARG  53 -14.410  -6.774  -5.186
  306    HB3  ARG  53           HB1      ARG  53 -12.892  -7.068  -4.344
  307    HG2  ARG  53           HG2      ARG  53 -12.297  -7.888  -6.353
  308    HG3  ARG  53           HG1      ARG  53 -13.106  -9.344  -5.761
  309    HD2  ARG  53           HD2      ARG  53 -13.909  -8.815  -7.985
  310    HD3  ARG  53           HD1      ARG  53 -15.191  -8.568  -6.800
  311    HE   ARG  53           HE       ARG  53 -13.934  -6.129  -7.100
  312   HH11  ARG  53          HH11      ARG  53 -15.716  -8.338  -9.144
  313   HH12  ARG  53          HH12      ARG  53 -16.362  -7.081 -10.149
  314   HH21  ARG  53          HH21      ARG  53 -14.783  -4.475  -8.410
  315   HH22  ARG  53          HH22      ARG  53 -15.831  -4.882  -9.732
  316    H    GLY  54           HN       GLY  54 -13.084  -7.442  -1.939
  317    HA2  GLY  54           HA2      GLY  54 -12.278  -8.909  -0.100
  318    HA3  GLY  54           HA1      GLY  54 -11.742  -9.995  -1.367
  319    H    TRP  55           HN       TRP  55  -9.664  -9.861  -0.391
  320    HA   TRP  55           HA       TRP  55  -8.094  -7.617  -0.101
  321    HB2  TRP  55           HB2      TRP  55  -7.480 -10.472  -0.740
  322    HB3  TRP  55           HB1      TRP  55  -6.184  -9.285  -0.799
  323    HD1  TRP  55           HD1      TRP  55  -7.461 -11.690   1.518
  324    HE1  TRP  55           HE1      TRP  55  -6.965 -11.052   3.962
  325    HE3  TRP  55           HE3      TRP  55  -6.307  -6.785   0.829
  326    HZ2  TRP  55           HZ2      TRP  55  -6.182  -8.736   5.405
  327    HZ3  TRP  55           HZ3      TRP  55  -5.701  -5.421   2.773
  328    HH2  TRP  55           HH2      TRP  55  -5.635  -6.365   5.004
  329    H    THR  56           HN       THR  56  -7.364  -6.136  -1.403
  330    HA   THR  56           HA       THR  56  -7.977  -6.184  -4.191
  331    HB   THR  56           HB       THR  56  -6.831  -3.971  -4.228
  332    HG1  THR  56           HG1      THR  56  -5.454  -3.619  -2.668
  333   HG21  THR  56          HG21      THR  56  -8.841  -4.378  -2.016
  334   HG22  THR  56          HG22      THR  56  -9.208  -4.109  -3.720
  335   HG23  THR  56          HG23      THR  56  -8.448  -2.832  -2.769
  336    H    ASP  57           HN       ASP  57  -6.231  -5.316  -5.759
  337    HA   ASP  57           HA       ASP  57  -4.054  -7.124  -5.923
  338    HB2  ASP  57           HB2      ASP  57  -4.586  -4.504  -7.332
  339    HB3  ASP  57           HB1      ASP  57  -3.199  -5.520  -7.685
  340    H    GLU  58           HN       GLU  58  -2.054  -6.974  -5.166
  341    HA   GLU  58           HA       GLU  58  -1.492  -5.181  -3.078
  342    HB2  GLU  58           HB2      GLU  58  -0.530  -7.476  -3.345
  343    HB3  GLU  58           HB1      GLU  58   0.512  -6.816  -4.587
  344    HG2  GLU  58           HG2      GLU  58   1.707  -5.516  -3.075
  345    HG3  GLU  58           HG1      GLU  58   0.467  -5.673  -1.828
  346    H    CYS  59           HN       CYS  59  -1.136  -3.170  -3.308
  347    HA   CYS  59           HA       CYS  59  -0.132  -2.062  -5.786
  348    HB2  CYS  59           HB2      CYS  59  -0.984  -0.670  -3.237
  349    HB3  CYS  59           HB1      CYS  59  -0.666   0.109  -4.784
  350    HG   CYS  59           HG       CYS  59  -2.949  -2.306  -5.025
  351    H    ILE  60           HN       ILE  60   1.977  -2.492  -5.957
  352    HA   ILE  60           HA       ILE  60   3.832  -2.237  -3.792
  353    HB   ILE  60           HB       ILE  60   4.230  -2.598  -6.767
  354   HG12  ILE  60          HG12      ILE  60   3.078  -4.455  -5.579
  355   HG13  ILE  60          HG11      ILE  60   4.624  -4.919  -6.283
  356   HG21  ILE  60          HG21      ILE  60   6.522  -3.231  -6.253
  357   HG22  ILE  60          HG22      ILE  60   6.246  -2.830  -4.558
  358   HG23  ILE  60          HG23      ILE  60   6.185  -1.566  -5.784
  359   HD11  ILE  60          HD11      ILE  60   5.680  -4.786  -4.125
  360   HD12  ILE  60          HD12      ILE  60   4.276  -5.852  -4.048
  361   HD13  ILE  60          HD13      ILE  60   4.181  -4.215  -3.402
  362    H    GLY  61           HN       GLY  61   4.764  -0.437  -3.137
  363    HA2  GLY  61           HA2      GLY  61   4.426   2.024  -4.615
  364    HA3  GLY  61           HA1      GLY  61   5.129   1.848  -3.013
  365    H    GLU  62           HN       GLU  62   6.589   3.470  -4.005
  366    HA   GLU  62           HA       GLU  62   8.424   2.549  -6.041
  367    HB2  GLU  62           HB2      GLU  62   8.425   5.102  -4.425
  368    HB3  GLU  62           HB1      GLU  62   9.380   4.787  -5.868
  369    HG2  GLU  62           HG2      GLU  62   7.319   4.594  -7.178
  370    HG3  GLU  62           HG1      GLU  62   6.378   4.943  -5.728
  371    HA   PRO  63           HA       PRO  63  11.765   1.280  -3.308
  372    HB2  PRO  63           HB2      PRO  63  13.549   2.500  -5.320
  373    HB3  PRO  63           HB1      PRO  63  13.488   0.832  -4.743
  374    HG2  PRO  63           HG2      PRO  63  12.640   1.513  -7.197
  375    HG3  PRO  63           HG1      PRO  63  11.860   0.229  -6.258
  376    HD2  PRO  63           HD2      PRO  63  10.959   3.038  -6.739
  377    HD3  PRO  63           HD1      PRO  63  10.006   1.544  -6.645
  378    H    MET  64           HN       MET  64  11.703   2.659  -1.556
  379    HA   MET  64           HA       MET  64  12.530   5.450  -2.010
  380    HB2  MET  64           HB2      MET  64  10.644   4.381   0.090
  381    HB3  MET  64           HB1      MET  64  11.071   6.069  -0.165
  382    HG2  MET  64           HG2      MET  64   9.604   4.304  -2.109
  383    HG3  MET  64           HG1      MET  64   8.898   5.553  -1.095
  384    HE1  MET  64           HE1      MET  64  10.521   8.021  -1.151
  385    HE2  MET  64           HE2      MET  64   8.831   8.049  -1.655
  386    HE3  MET  64           HE3      MET  64  10.058   8.846  -2.640
  387    HA   PRO  65           HA       PRO  65  15.846   4.533   0.758
  388    HB2  PRO  65           HB2      PRO  65  16.690   7.038   1.292
  389    HB3  PRO  65           HB1      PRO  65  16.922   6.279  -0.287
  390    HG2  PRO  65           HG2      PRO  65  14.835   8.241   0.581
  391    HG3  PRO  65           HG1      PRO  65  15.773   8.200  -0.923
  392    HD2  PRO  65           HD2      PRO  65  13.213   7.290  -0.736
  393    HD3  PRO  65           HD1      PRO  65  14.397   6.631  -1.882
  394    H    SER  66           HN       SER  66  12.910   5.610   1.836
  395    HA   SER  66           HA       SER  66  13.774   5.387   4.601
  396    HB2  SER  66           HB2      SER  66  13.704   7.801   4.207
  397    HB3  SER  66           HB1      SER  66  12.100   7.664   3.494
  398    HG   SER  66           HG       SER  66  12.782   7.037   6.184
  399    H    VAL  67           HN       VAL  67  12.297   4.327   5.846
  400    HA   VAL  67           HA       VAL  67  10.496   2.609   4.533
  401    HB   VAL  67           HB       VAL  67   9.745   1.917   6.782
  402   HG11  VAL  67          HG11      VAL  67  11.919   1.106   7.591
  403   HG12  VAL  67          HG12      VAL  67  12.729   2.220   6.489
  404   HG13  VAL  67          HG13      VAL  67  11.738   0.910   5.848
  405   HG21  VAL  67          HG21      VAL  67  10.760   2.918   8.771
  406   HG22  VAL  67          HG22      VAL  67   9.793   4.093   7.881
  407   HG23  VAL  67          HG23      VAL  67  11.552   4.124   7.762
  408    H    LYS  68           HN       LYS  68  10.044   5.714   6.020
  409    HA   LYS  68           HA       LYS  68   7.230   5.601   6.296
  410    HB2  LYS  68           HB2      LYS  68   9.116   7.941   6.011
  411    HB3  LYS  68           HB1      LYS  68   7.400   8.107   6.352
  412    HG2  LYS  68           HG2      LYS  68   7.692   6.847   8.427
  413    HG3  LYS  68           HG1      LYS  68   9.417   6.696   8.085
  414    HD2  LYS  68           HD2      LYS  68   9.737   9.051   8.264
  415    HD3  LYS  68           HD1      LYS  68   7.997   9.342   8.323
  416    HE2  LYS  68           HE2      LYS  68   9.594   7.853  10.402
  417    HE3  LYS  68           HE1      LYS  68   9.057   9.525  10.536
  418    HZ1  LYS  68           HZ1      LYS  68   7.333   7.117  10.370
  419    HZ2  LYS  68           HZ2      LYS  68   6.752   8.701  10.332
  420    HZ3  LYS  68           HZ3      LYS  68   7.540   8.123  11.712
  421    H    LYS  69           HN       LYS  69   9.374   6.664   3.700
  422    HA   LYS  69           HA       LYS  69   7.264   7.763   2.109
  423    HB2  LYS  69           HB2      LYS  69  10.050   7.007   1.214
  424    HB3  LYS  69           HB1      LYS  69   8.962   8.158   0.452
  425    HG2  LYS  69           HG2      LYS  69   9.148   9.618   2.395
  426    HG3  LYS  69           HG1      LYS  69  10.242   8.464   3.155
  427    HD2  LYS  69           HD2      LYS  69  11.651  10.088   2.233
  428    HD3  LYS  69           HD1      LYS  69  11.700   8.760   1.074
  429    HE2  LYS  69           HE2      LYS  69  10.128   9.905  -0.363
  430    HE3  LYS  69           HE1      LYS  69   9.928  11.189   0.827
  431    HZ1  LYS  69           HZ1      LYS  69  12.247  11.785   0.528
  432    HZ2  LYS  69           HZ2      LYS  69  11.429  11.850  -0.949
  433    HZ3  LYS  69           HZ3      LYS  69  12.450  10.548  -0.607
  434    H    ALA  70           HN       ALA  70   8.859   4.697   2.474
  435    HA   ALA  70           HA       ALA  70   8.103   3.431   0.110
  436    HB1  ALA  70           HB1      ALA  70   8.356   2.216   2.862
  437    HB2  ALA  70           HB2      ALA  70   9.676   2.460   1.718
  438    HB3  ALA  70           HB3      ALA  70   8.372   1.338   1.333
  439    H    LYS  71           HN       LYS  71   6.442   3.228   3.274
  440    HA   LYS  71           HA       LYS  71   4.116   2.003   2.460
  441    HB2  LYS  71           HB2      LYS  71   4.487   4.098   4.607
  442    HB3  LYS  71           HB1      LYS  71   3.086   3.047   4.454
  443    HG2  LYS  71           HG2      LYS  71   4.424   1.106   4.903
  444    HG3  LYS  71           HG1      LYS  71   5.902   2.071   4.879
  445    HD2  LYS  71           HD2      LYS  71   5.124   3.317   6.829
  446    HD3  LYS  71           HD1      LYS  71   3.635   2.373   6.847
  447    HE2  LYS  71           HE2      LYS  71   6.412   1.242   7.177
  448    HE3  LYS  71           HE1      LYS  71   5.299   1.590   8.498
  449    HZ1  LYS  71           HZ1      LYS  71   3.749  -0.014   7.554
  450    HZ2  LYS  71           HZ2      LYS  71   5.233  -0.738   7.905
  451    HZ3  LYS  71           HZ3      LYS  71   4.836  -0.359   6.307
  452    H    ASP  72           HN       ASP  72   4.737   5.495   2.769
  453    HA   ASP  72           HA       ASP  72   2.292   6.447   1.951
  454    HB2  ASP  72           HB2      ASP  72   5.051   7.583   1.763
  455    HB3  ASP  72           HB1      ASP  72   3.699   8.446   1.037
  456    H    SER  73           HN       SER  73   5.073   5.691  -0.189
  457    HA   SER  73           HA       SER  73   3.816   6.687  -2.502
  458    HB2  SER  73           HB2      SER  73   5.571   5.466  -3.742
  459    HB3  SER  73           HB1      SER  73   6.237   6.382  -2.390
  460    HG   SER  73           HG       SER  73   6.383   4.469  -1.214
  461    H    ALA  74           HN       ALA  74   3.861   3.469  -1.036
  462    HA   ALA  74           HA       ALA  74   2.519   2.152  -3.180
  463    HB1  ALA  74           HB1      ALA  74   2.488   1.378  -0.263
  464    HB2  ALA  74           HB2      ALA  74   3.831   1.034  -1.358
  465    HB3  ALA  74           HB3      ALA  74   2.244   0.329  -1.663
  466    H    ALA  75           HN       ALA  75   1.474   3.524  -0.133
  467    HA   ALA  75           HA       ALA  75  -1.245   3.037  -0.194
  468    HB1  ALA  75           HB1      ALA  75   0.102   5.524   0.854
  469    HB2  ALA  75           HB2      ALA  75  -0.072   4.001   1.727
  470    HB3  ALA  75           HB3      ALA  75  -1.501   4.940   1.296
  471    H    VAL  76           HN       VAL  76   0.557   5.572  -1.903
  472    HA   VAL  76           HA       VAL  76  -1.674   7.112  -2.704
  473    HB   VAL  76           HB       VAL  76   1.027   6.815  -4.035
  474   HG11  VAL  76          HG11      VAL  76  -0.629   7.677  -5.610
  475   HG12  VAL  76          HG12      VAL  76   0.523   8.933  -5.154
  476   HG13  VAL  76          HG13      VAL  76  -1.093   8.922  -4.450
  477   HG21  VAL  76          HG21      VAL  76   1.552   8.930  -2.918
  478   HG22  VAL  76          HG22      VAL  76   1.162   7.661  -1.755
  479   HG23  VAL  76          HG23      VAL  76  -0.029   8.905  -2.136
  480    H    LEU  77           HN       LEU  77  -0.103   4.278  -4.072
  481    HA   LEU  77           HA       LEU  77  -1.607   4.353  -6.527
  482    HB2  LEU  77           HB2      LEU  77   0.104   2.195  -5.291
  483    HB3  LEU  77           HB1      LEU  77  -0.595   2.120  -6.893
  484    HG   LEU  77           HG       LEU  77   1.462   4.119  -5.961
  485   HD11  LEU  77          HD11      LEU  77   2.952   2.965  -7.506
  486   HD12  LEU  77          HD12      LEU  77   1.679   1.801  -7.871
  487   HD13  LEU  77          HD13      LEU  77   2.367   1.876  -6.249
  488   HD21  LEU  77          HD21      LEU  77   0.003   5.137  -7.591
  489   HD22  LEU  77          HD22      LEU  77   0.157   3.737  -8.650
  490   HD23  LEU  77          HD23      LEU  77   1.555   4.766  -8.343
  491    H    LEU  78           HN       LEU  78  -1.797   2.858  -3.415
  492    HA   LEU  78           HA       LEU  78  -3.933   1.088  -3.865
  493    HB2  LEU  78           HB2      LEU  78  -2.466   1.074  -1.906
  494    HB3  LEU  78           HB1      LEU  78  -3.121   2.616  -1.406
  495    HG   LEU  78           HG       LEU  78  -5.378   1.409  -1.285
  496   HD11  LEU  78          HD11      LEU  78  -5.276  -0.984  -0.890
  497   HD12  LEU  78          HD12      LEU  78  -3.543  -0.987  -1.202
  498   HD13  LEU  78          HD13      LEU  78  -4.672  -0.609  -2.502
  499   HD21  LEU  78          HD21      LEU  78  -3.049   1.089   0.563
  500   HD22  LEU  78          HD22      LEU  78  -4.627   0.414   0.980
  501   HD23  LEU  78          HD23      LEU  78  -4.452   2.148   0.708
  502    H    LEU  79           HN       LEU  79  -3.812   4.456  -2.808
  503    HA   LEU  79           HA       LEU  79  -6.557   4.804  -2.355
  504    HB2  LEU  79           HB2      LEU  79  -4.208   6.548  -2.650
  505    HB3  LEU  79           HB1      LEU  79  -5.752   7.304  -2.983
  506    HG   LEU  79           HG       LEU  79  -6.558   6.766  -0.763
  507   HD11  LEU  79          HD11      LEU  79  -5.111   5.703   0.898
  508   HD12  LEU  79          HD12      LEU  79  -3.891   5.424  -0.344
  509   HD13  LEU  79          HD13      LEU  79  -5.458   4.622  -0.451
  510   HD21  LEU  79          HD21      LEU  79  -5.288   8.826  -1.042
  511   HD22  LEU  79          HD22      LEU  79  -3.793   7.962  -0.681
  512   HD23  LEU  79          HD23      LEU  79  -5.033   8.135   0.561
  513    H    GLU  80           HN       GLU  80  -4.710   4.998  -5.334
  514    HA   GLU  80           HA       GLU  80  -6.909   6.214  -6.745
  515    HB2  GLU  80           HB2      GLU  80  -5.556   5.546  -8.816
  516    HB3  GLU  80           HB1      GLU  80  -4.912   6.798  -7.752
  517    HG2  GLU  80           HG2      GLU  80  -3.407   5.255  -6.763
  518    HG3  GLU  80           HG1      GLU  80  -4.120   3.907  -7.643
  519    H    LEU  81           HN       LEU  81  -5.725   2.999  -6.151
  520    HA   LEU  81           HA       LEU  81  -7.403   1.610  -7.955
  521    HB2  LEU  81           HB2      LEU  81  -5.418   0.667  -6.749
  522    HB3  LEU  81           HB1      LEU  81  -6.367   0.689  -5.283
  523    HG   LEU  81           HG       LEU  81  -7.304  -0.865  -7.674
  524   HD11  LEU  81          HD11      LEU  81  -5.016  -1.583  -7.239
  525   HD12  LEU  81          HD12      LEU  81  -6.167  -2.830  -6.759
  526   HD13  LEU  81          HD13      LEU  81  -5.402  -1.814  -5.536
  527   HD21  LEU  81          HD21      LEU  81  -8.877  -0.536  -5.825
  528   HD22  LEU  81          HD22      LEU  81  -7.702  -1.221  -4.703
  529   HD23  LEU  81          HD23      LEU  81  -8.402  -2.228  -5.970
  530    H    LEU  82           HN       LEU  82  -7.694   2.513  -4.567
  531    HA   LEU  82           HA       LEU  82 -10.335   1.682  -4.148
  532    HB2  LEU  82           HB2      LEU  82  -8.361   3.413  -2.816
  533    HB3  LEU  82           HB1      LEU  82 -10.034   3.742  -2.417
  534    HG   LEU  82           HG       LEU  82 -10.337   1.680  -1.412
  535   HD11  LEU  82          HD11      LEU  82  -9.550   0.188  -3.087
  536   HD12  LEU  82          HD12      LEU  82  -8.711  -0.195  -1.584
  537   HD13  LEU  82          HD13      LEU  82  -7.883   0.716  -2.849
  538   HD21  LEU  82          HD21      LEU  82  -7.469   2.410  -0.871
  539   HD22  LEU  82          HD22      LEU  82  -8.495   1.423   0.170
  540   HD23  LEU  82          HD23      LEU  82  -8.885   3.122  -0.097
  541    H    ASN  83           HN       ASN  83  -9.079   4.403  -5.867
  542    HA   ASN  83           HA       ASN  83 -11.553   5.919  -5.679
  543    HB2  ASN  83           HB2      ASN  83  -9.101   6.839  -5.849
  544    HB3  ASN  83           HB1      ASN  83  -9.291   6.529  -7.569
  545   HD21  ASN  83          HD21      ASN  83  -8.892   9.034  -6.192
  546   HD22  ASN  83          HD22      ASN  83 -10.244  10.039  -6.588
  547    H    LYS  84           HN       LYS  84 -10.470   3.290  -7.307
  548    HA   LYS  84           HA       LYS  84 -12.166   3.797  -9.656
  549    HB2  LYS  84           HB2      LYS  84  -9.787   1.950  -9.373
  550    HB3  LYS  84           HB1      LYS  84 -10.807   2.054 -10.803
  551    HG2  LYS  84           HG2      LYS  84 -10.021   4.157 -11.371
  552    HG3  LYS  84           HG1      LYS  84  -9.439   4.487  -9.739
  553    HD2  LYS  84           HD2      LYS  84  -7.546   4.083 -11.171
  554    HD3  LYS  84           HD1      LYS  84  -7.713   2.724 -10.058
  555    HE2  LYS  84           HE2      LYS  84  -7.230   1.872 -12.250
  556    HE3  LYS  84           HE1      LYS  84  -8.901   1.479 -11.850
  557    HZ1  LYS  84           HZ1      LYS  84  -8.045   3.763 -13.538
  558    HZ2  LYS  84           HZ2      LYS  84  -9.640   3.319 -13.201
  559    HZ3  LYS  84           HZ3      LYS  84  -8.657   2.300 -14.121
  560    H    THR  85           HN       THR  85 -13.199   3.039  -7.220
  561    HA   THR  85           HA       THR  85 -13.668   0.161  -7.370
  562    HB   THR  85           HB       THR  85 -14.909   0.622  -5.159
  563    HG1  THR  85           HG1      THR  85 -13.257   2.887  -4.928
  564   HG21  THR  85          HG21      THR  85 -12.758  -0.507  -5.258
  565   HG22  THR  85          HG22      THR  85 -12.794   0.607  -3.891
  566   HG23  THR  85          HG23      THR  85 -11.926   1.045  -5.364
  Start of MODEL    8
    1    H1   ASN  15           HT1      ASN  15  -4.733   5.842   5.144
    2    H2   ASN  15           HT2      ASN  15  -5.749   7.104   5.625
    3    H3   ASN  15           HT3      ASN  15  -6.033   6.299   4.165
    4    HA   ASN  15           HA       ASN  15  -6.507   4.259   5.343
    5    HB2  ASN  15           HB2      ASN  15  -6.742   4.260   7.770
    6    HB3  ASN  15           HB1      ASN  15  -5.105   4.724   7.328
    7   HD21  ASN  15          HD21      ASN  15  -6.709   5.229   9.753
    8   HD22  ASN  15          HD22      ASN  15  -6.690   6.945   9.965
    9    H    ASP  16           HN       ASP  16  -7.537   7.519   5.318
   10    HA   ASP  16           HA       ASP  16 -10.060   7.240   6.556
   11    HB2  ASP  16           HB2      ASP  16  -9.090   9.265   4.532
   12    HB3  ASP  16           HB1      ASP  16 -10.618   9.379   5.396
   13    H    ILE  17           HN       ILE  17  -9.031   7.046   3.175
   14    HA   ILE  17           HA       ILE  17 -11.546   6.837   2.010
   15    HB   ILE  17           HB       ILE  17  -8.898   5.723   1.092
   16   HG12  ILE  17          HG12      ILE  17  -9.168   7.578  -0.607
   17   HG13  ILE  17          HG11      ILE  17 -10.534   8.144   0.340
   18   HG21  ILE  17          HG21      ILE  17  -9.913   5.373  -1.101
   19   HG22  ILE  17          HG22      ILE  17 -11.487   5.829  -0.447
   20   HG23  ILE  17          HG23      ILE  17 -10.682   4.369   0.129
   21   HD11  ILE  17          HD11      ILE  17  -9.113   8.565   2.222
   22   HD12  ILE  17          HD12      ILE  17  -8.469   9.379   0.796
   23   HD13  ILE  17          HD13      ILE  17  -7.725   7.887   1.372
   24    H    CYS  18           HN       CYS  18  -9.426   4.350   3.346
   25    HA   CYS  18           HA       CYS  18 -11.082   2.150   2.605
   26    HB2  CYS  18           HB2      CYS  18  -8.617   2.032   3.102
   27    HB3  CYS  18           HB1      CYS  18  -9.000   2.285   4.801
   28    HG   CYS  18           HG       CYS  18  -9.793  -0.144   5.370
   29    H    LEU  19           HN       LEU  19 -10.646   4.095   5.499
   30    HA   LEU  19           HA       LEU  19 -12.299   2.651   7.256
   31    HB2  LEU  19           HB2      LEU  19 -10.662   4.451   7.827
   32    HB3  LEU  19           HB1      LEU  19 -11.814   5.619   7.236
   33    HG   LEU  19           HG       LEU  19 -13.425   4.869   8.971
   34   HD11  LEU  19          HD11      LEU  19 -12.586   3.498  10.830
   35   HD12  LEU  19          HD12      LEU  19 -11.096   3.213   9.931
   36   HD13  LEU  19          HD13      LEU  19 -12.631   2.608   9.309
   37   HD21  LEU  19          HD21      LEU  19 -10.739   5.757  10.019
   38   HD22  LEU  19          HD22      LEU  19 -12.286   5.935  10.848
   39   HD23  LEU  19          HD23      LEU  19 -11.983   6.808   9.345
   40    H    ARG  20           HN       ARG  20 -12.927   5.494   5.244
   41    HA   ARG  20           HA       ARG  20 -15.586   5.939   5.825
   42    HB2  ARG  20           HB2      ARG  20 -14.086   7.425   4.563
   43    HB3  ARG  20           HB1      ARG  20 -14.111   6.306   3.218
   44    HG2  ARG  20           HG2      ARG  20 -16.501   6.720   2.915
   45    HG3  ARG  20           HG1      ARG  20 -16.468   7.854   4.271
   46    HD2  ARG  20           HD2      ARG  20 -14.965   8.092   1.665
   47    HD3  ARG  20           HD1      ARG  20 -16.313   9.094   2.206
   48    HE   ARG  20           HE       ARG  20 -14.657   9.624   4.138
   49   HH11  ARG  20          HH11      ARG  20 -13.837   9.226   0.751
   50   HH12  ARG  20          HH12      ARG  20 -12.439  10.255   0.850
   51   HH21  ARG  20          HH21      ARG  20 -12.820  10.955   4.260
   52   HH22  ARG  20          HH22      ARG  20 -11.863  11.236   2.839
   53    H    LYS  21           HN       LYS  21 -14.152   3.683   3.529
   54    HA   LYS  21           HA       LYS  21 -16.608   2.932   2.285
   55    HB2  LYS  21           HB2      LYS  21 -13.794   2.291   2.056
   56    HB3  LYS  21           HB1      LYS  21 -14.790   0.848   1.934
   57    HG2  LYS  21           HG2      LYS  21 -15.098   3.330   0.261
   58    HG3  LYS  21           HG1      LYS  21 -14.336   1.823  -0.251
   59    HD2  LYS  21           HD2      LYS  21 -16.460   0.645   0.173
   60    HD3  LYS  21           HD1      LYS  21 -17.204   2.191   0.575
   61    HE2  LYS  21           HE2      LYS  21 -15.999   1.413  -2.070
   62    HE3  LYS  21           HE1      LYS  21 -17.715   1.555  -1.716
   63    HZ1  LYS  21           HZ1      LYS  21 -17.394   3.917  -1.304
   64    HZ2  LYS  21           HZ2      LYS  21 -16.893   3.505  -2.866
   65    HZ3  LYS  21           HZ3      LYS  21 -15.747   3.773  -1.654
   66    H    ASN  22           HN       ASN  22 -15.576   2.462   5.301
   67    HA   ASN  22           HA       ASN  22 -16.300   1.233   7.054
   68    HB2  ASN  22           HB2      ASN  22 -18.519   1.324   5.885
   69    HB3  ASN  22           HB1      ASN  22 -18.117  -0.202   5.113
   70   HD21  ASN  22          HD21      ASN  22 -19.803  -1.310   6.047
   71   HD22  ASN  22          HD22      ASN  22 -19.849  -1.708   7.728
   72    H    TRP  23           HN       TRP  23 -14.223   0.428   5.032
   73    HA   TRP  23           HA       TRP  23 -14.072  -2.451   5.372
   74    HB2  TRP  23           HB2      TRP  23 -12.134  -0.472   4.153
   75    HB3  TRP  23           HB1      TRP  23 -11.900  -2.212   4.174
   76    HD1  TRP  23           HD1      TRP  23 -15.096  -2.746   3.339
   77    HE1  TRP  23           HE1      TRP  23 -15.672  -2.462   0.841
   78    HE3  TRP  23           HE3      TRP  23 -11.127   0.127   1.926
   79    HZ2  TRP  23           HZ2      TRP  23 -14.557  -1.201  -1.433
   80    HZ3  TRP  23           HZ3      TRP  23 -10.953   0.835  -0.416
   81    HH2  TRP  23           HH2      TRP  23 -12.626   0.181  -2.064
   82    HA   PRO  24           HA       PRO  24 -11.431  -2.324   8.977
   83    HB2  PRO  24           HB2      PRO  24  -9.743  -4.383   8.469
   84    HB3  PRO  24           HB1      PRO  24 -11.418  -4.624   8.976
   85    HG2  PRO  24           HG2      PRO  24 -10.240  -4.719   6.226
   86    HG3  PRO  24           HG1      PRO  24 -11.410  -5.817   6.980
   87    HD2  PRO  24           HD2      PRO  24 -12.163  -3.882   5.261
   88    HD3  PRO  24           HD1      PRO  24 -13.181  -4.374   6.628
   89    H    MET  25           HN       MET  25  -8.785  -2.725   9.292
   90    HA   MET  25           HA       MET  25  -7.619  -0.572   7.772
   91    HB2  MET  25           HB2      MET  25  -6.418  -2.333   9.904
   92    HB3  MET  25           HB1      MET  25  -5.705  -0.859   9.267
   93    HG2  MET  25           HG2      MET  25  -8.414  -0.790  10.504
   94    HG3  MET  25           HG1      MET  25  -6.984  -0.834  11.522
   95    HE1  MET  25           HE1      MET  25  -7.915   1.264   8.094
   96    HE2  MET  25           HE2      MET  25  -8.503   2.667   8.982
   97    HE3  MET  25           HE3      MET  25  -9.268   1.095   9.213
   98    HA   PRO  26           HA       PRO  26  -5.945  -3.193   4.651
   99    HB2  PRO  26           HB2      PRO  26  -3.894  -1.159   4.209
  100    HB3  PRO  26           HB1      PRO  26  -5.182  -1.697   3.135
  101    HG2  PRO  26           HG2      PRO  26  -5.203   0.732   4.309
  102    HG3  PRO  26           HG1      PRO  26  -6.689  -0.168   3.955
  103    HD2  PRO  26           HD2      PRO  26  -5.248   0.174   6.551
  104    HD3  PRO  26           HD1      PRO  26  -6.992   0.142   6.218
  105    H    SER  27           HN       SER  27  -3.965  -4.174   3.951
  106    HA   SER  27           HA       SER  27  -2.224  -4.896   6.154
  107    HB2  SER  27           HB2      SER  27  -3.082  -6.584   4.538
  108    HB3  SER  27           HB1      SER  27  -2.184  -5.768   3.265
  109    HG   SER  27           HG       SER  27  -0.370  -6.587   3.973
  110    H    TYR  28           HN       TYR  28   0.025  -4.532   6.225
  111    HA   TYR  28           HA       TYR  28   1.193  -2.876   4.169
  112    HB2  TYR  28           HB2      TYR  28   0.908  -2.003   7.046
  113    HB3  TYR  28           HB1      TYR  28   2.169  -1.364   6.001
  114    HD1  TYR  28           HD1      TYR  28   1.623   0.146   4.160
  115    HD2  TYR  28           HD2      TYR  28  -1.428  -1.384   6.710
  116    HE1  TYR  28           HE1      TYR  28   0.075   1.850   3.316
  117    HE2  TYR  28           HE2      TYR  28  -2.988   0.318   5.864
  118    HH   TYR  28           HH       TYR  28  -2.293   2.230   3.107
  119    H    ARG  29           HN       ARG  29   2.959  -4.044   3.649
  120    HA   ARG  29           HA       ARG  29   4.823  -4.874   5.666
  121    HB2  ARG  29           HB2      ARG  29   3.285  -6.766   5.745
  122    HB3  ARG  29           HB1      ARG  29   3.383  -6.936   4.001
  123    HG2  ARG  29           HG2      ARG  29   5.772  -7.487   4.199
  124    HG3  ARG  29           HG1      ARG  29   5.633  -7.365   5.952
  125    HD2  ARG  29           HD2      ARG  29   4.109  -9.286   4.206
  126    HD3  ARG  29           HD1      ARG  29   5.526  -9.690   5.171
  127    HE   ARG  29           HE       ARG  29   4.204  -9.211   7.151
  128   HH11  ARG  29          HH11      ARG  29   2.450  -9.657   4.151
  129   HH12  ARG  29          HH12      ARG  29   0.957 -10.057   4.936
  130   HH21  ARG  29          HH21      ARG  29   2.243  -9.762   8.183
  131   HH22  ARG  29          HH22      ARG  29   0.839 -10.117   7.225
  132    H    CYS  30           HN       CYS  30   6.776  -4.573   4.848
  133    HA   CYS  30           HA       CYS  30   7.094  -3.695   2.168
  134    HB2  CYS  30           HB2      CYS  30   8.440  -3.233   4.445
  135    HB3  CYS  30           HB1      CYS  30   9.469  -4.489   3.769
  136    HG   CYS  30           HG       CYS  30  10.597  -3.074   1.897
  137    H    VAL  31           HN       VAL  31   7.614  -4.815   0.385
  138    HA   VAL  31           HA       VAL  31   7.804  -7.686   0.584
  139    HB   VAL  31           HB       VAL  31   7.893  -7.682  -1.870
  140   HG11  VAL  31          HG11      VAL  31   5.637  -6.808  -2.256
  141   HG12  VAL  31          HG12      VAL  31   5.723  -5.940  -0.723
  142   HG13  VAL  31          HG13      VAL  31   5.740  -7.704  -0.739
  143   HG21  VAL  31          HG21      VAL  31   7.553  -5.590  -3.121
  144   HG22  VAL  31          HG22      VAL  31   9.106  -5.635  -2.287
  145   HG23  VAL  31          HG23      VAL  31   7.777  -4.683  -1.626
  146    H    LYS  32           HN       LYS  32   9.886  -4.974  -0.229
  147    HA   LYS  32           HA       LYS  32  12.171  -6.720   0.375
  148    HB2  LYS  32           HB2      LYS  32  12.113  -6.218  -2.067
  149    HB3  LYS  32           HB1      LYS  32  12.103  -4.507  -1.680
  150    HG2  LYS  32           HG2      LYS  32  14.283  -4.823  -0.506
  151    HG3  LYS  32           HG1      LYS  32  14.319  -6.464  -1.152
  152    HD2  LYS  32           HD2      LYS  32  14.409  -5.671  -3.389
  153    HD3  LYS  32           HD1      LYS  32  14.041  -4.021  -2.885
  154    HE2  LYS  32           HE2      LYS  32  16.544  -5.552  -2.176
  155    HE3  LYS  32           HE1      LYS  32  16.424  -4.324  -3.434
  156    HZ1  LYS  32           HZ1      LYS  32  17.325  -3.318  -1.483
  157    HZ2  LYS  32           HZ2      LYS  32  16.086  -3.924  -0.511
  158    HZ3  LYS  32           HZ3      LYS  32  15.745  -2.734  -1.664
  159    H    GLU  33           HN       GLU  33  13.297  -5.943   2.032
  160    HA   GLU  33           HA       GLU  33  13.612  -3.055   2.338
  161    HB2  GLU  33           HB2      GLU  33  11.717  -3.787   3.807
  162    HB3  GLU  33           HB1      GLU  33  12.839  -4.845   4.650
  163    HG2  GLU  33           HG2      GLU  33  14.161  -2.897   5.318
  164    HG3  GLU  33           HG1      GLU  33  13.013  -1.845   4.491
  165    H    GLY  34           HN       GLY  34  15.614  -2.467   3.093
  166    HA2  GLY  34           HA2      GLY  34  17.777  -2.718   3.828
  167    HA3  GLY  34           HA1      GLY  34  17.333  -4.306   4.435
  168    H    GLY  35           HN       GLY  35  19.179  -5.293   3.700
  169    HA2  GLY  35           HA2      GLY  35  19.958  -6.729   1.915
  170    HA3  GLY  35           HA1      GLY  35  19.442  -5.493   0.771
  171    HA   PRO  36           HA       PRO  36  24.020  -4.919   1.451
  172    HB2  PRO  36           HB2      PRO  36  23.791  -4.115  -1.384
  173    HB3  PRO  36           HB1      PRO  36  24.949  -5.200  -0.612
  174    HG2  PRO  36           HG2      PRO  36  22.988  -6.123  -2.186
  175    HG3  PRO  36           HG1      PRO  36  23.558  -7.023  -0.771
  176    HD2  PRO  36           HD2      PRO  36  21.076  -5.411  -1.118
  177    HD3  PRO  36           HD1      PRO  36  21.333  -6.910  -0.206
  178    H    ALA  37           HN       ALA  37  25.219  -2.897   1.278
  179    HA   ALA  37           HA       ALA  37  23.857  -0.718   2.249
  180    HB1  ALA  37           HB1      ALA  37  26.433  -0.625   0.690
  181    HB2  ALA  37           HB2      ALA  37  26.288  -1.031   2.400
  182    HB3  ALA  37           HB3      ALA  37  25.854   0.582   1.837
  183    H    HIS  38           HN       HIS  38  24.789  -1.310  -1.122
  184    HA   HIS  38           HA       HIS  38  23.815   1.194  -2.068
  185    HB2  HIS  38           HB2      HIS  38  24.264   0.360  -4.293
  186    HB3  HIS  38           HB1      HIS  38  25.586  -0.102  -3.230
  187    HD1  HIS  38           HD1      HIS  38  26.117  -2.560  -3.044
  188    HD2  HIS  38           HD2      HIS  38  22.554  -1.837  -5.063
  189    HE1  HIS  38           HE1      HIS  38  25.406  -4.779  -3.978
  190    HE2  HIS  38           HE2      HIS  38  23.339  -4.288  -5.332
  191    H    ALA  39           HN       ALA  39  22.184  -1.595  -1.117
  192    HA   ALA  39           HA       ALA  39  19.932  -0.993  -2.925
  193    HB1  ALA  39           HB1      ALA  39  19.297  -3.340  -2.787
  194    HB2  ALA  39           HB2      ALA  39  20.670  -3.655  -1.729
  195    HB3  ALA  39           HB3      ALA  39  20.941  -3.167  -3.400
  196    H    LYS  40           HN       LYS  40  20.334   0.324  -0.460
  197    HA   LYS  40           HA       LYS  40  18.574  -0.904   1.476
  198    HB2  LYS  40           HB2      LYS  40  20.657   0.728   1.843
  199    HB3  LYS  40           HB1      LYS  40  19.378   1.931   1.769
  200    HG2  LYS  40           HG2      LYS  40  19.651   1.424   4.043
  201    HG3  LYS  40           HG1      LYS  40  18.175   0.610   3.534
  202    HD2  LYS  40           HD2      LYS  40  19.382  -1.495   3.340
  203    HD3  LYS  40           HD1      LYS  40  20.888  -0.689   3.782
  204    HE2  LYS  40           HE2      LYS  40  19.897  -0.091   5.959
  205    HE3  LYS  40           HE1      LYS  40  18.435  -0.970   5.517
  206    HZ1  LYS  40           HZ1      LYS  40  19.736  -2.996   5.382
  207    HZ2  LYS  40           HZ2      LYS  40  19.892  -2.298   6.910
  208    HZ3  LYS  40           HZ3      LYS  40  21.145  -2.154   5.787
  209    H    ARG  41           HN       ARG  41  17.715   0.046  -1.265
  210    HA   ARG  41           HA       ARG  41  15.671   2.008  -0.597
  211    HB2  ARG  41           HB2      ARG  41  15.757   0.352  -3.121
  212    HB3  ARG  41           HB1      ARG  41  14.911   1.859  -2.857
  213    HG2  ARG  41           HG2      ARG  41  17.907   1.645  -2.804
  214    HG3  ARG  41           HG1      ARG  41  16.983   2.011  -4.261
  215    HD2  ARG  41           HD2      ARG  41  16.937   3.614  -1.705
  216    HD3  ARG  41           HD1      ARG  41  17.832   4.040  -3.162
  217    HE   ARG  41           HE       ARG  41  14.977   3.673  -3.502
  218   HH11  ARG  41          HH11      ARG  41  17.602   5.926  -2.971
  219   HH12  ARG  41          HH12      ARG  41  16.684   7.311  -3.473
  220   HH21  ARG  41          HH21      ARG  41  13.758   5.485  -4.156
  221   HH22  ARG  41          HH22      ARG  41  14.495   7.060  -4.147
  222    H    PHE  42           HN       PHE  42  13.530   1.552  -0.285
  223    HA   PHE  42           HA       PHE  42  13.008  -1.275   0.329
  224    HB2  PHE  42           HB2      PHE  42  11.593   1.082   1.575
  225    HB3  PHE  42           HB1      PHE  42  11.630  -0.584   2.141
  226    HD1  PHE  42           HD1      PHE  42  14.464  -1.249   2.107
  227    HD2  PHE  42           HD2      PHE  42  12.536   2.377   3.216
  228    HE1  PHE  42           HE1      PHE  42  16.368  -0.687   3.564
  229    HE2  PHE  42           HE2      PHE  42  14.424   2.937   4.678
  230    HZ   PHE  42           HZ       PHE  42  16.343   1.406   4.859
  231    H    THR  43           HN       THR  43  11.345  -2.245  -0.551
  232    HA   THR  43           HA       THR  43   9.497  -0.658  -2.209
  233    HB   THR  43           HB       THR  43  10.384  -3.515  -2.735
  234    HG1  THR  43           HG1      THR  43  11.534  -2.286  -4.549
  235   HG21  THR  43          HG21      THR  43   8.996  -1.469  -4.481
  236   HG22  THR  43          HG22      THR  43   8.241  -2.876  -3.732
  237   HG23  THR  43          HG23      THR  43   9.472  -3.093  -4.976
  238    H    PHE  44           HN       PHE  44   7.282  -0.990  -1.655
  239    HA   PHE  44           HA       PHE  44   6.689  -3.299   0.002
  240    HB2  PHE  44           HB2      PHE  44   6.844  -1.904   1.814
  241    HB3  PHE  44           HB1      PHE  44   6.744  -0.453   0.825
  242    HD1  PHE  44           HD2      PHE  44   4.665  -3.231   2.124
  243    HD2  PHE  44           HD1      PHE  44   4.839   0.835   0.908
  244    HE1  PHE  44           HE2      PHE  44   2.374  -2.891   2.929
  245    HE2  PHE  44           HE1      PHE  44   2.553   1.180   1.730
  246    HZ   PHE  44           HZ       PHE  44   1.258  -0.690   2.549
  247    H    GLY  45           HN       GLY  45   4.439  -3.865  -0.069
  248    HA2  GLY  45           HA2      GLY  45   2.860  -2.381  -2.072
  249    HA3  GLY  45           HA1      GLY  45   2.934  -4.136  -2.076
  250    H    VAL  46           HN       VAL  46   0.691  -2.134  -1.657
  251    HA   VAL  46           HA       VAL  46  -0.164  -2.902   1.070
  252    HB   VAL  46           HB       VAL  46  -1.775  -0.957  -0.476
  253   HG11  VAL  46          HG11      VAL  46  -0.848  -1.168   2.374
  254   HG12  VAL  46          HG12      VAL  46  -2.461  -1.480   1.730
  255   HG13  VAL  46          HG13      VAL  46  -1.822   0.165   1.756
  256   HG21  VAL  46          HG21      VAL  46  -0.312   0.938   0.105
  257   HG22  VAL  46          HG22      VAL  46   0.401  -0.148  -1.087
  258   HG23  VAL  46          HG23      VAL  46   0.937  -0.210   0.590
  259    H    ARG  47           HN       ARG  47  -2.389  -3.659   1.339
  260    HA   ARG  47           HA       ARG  47  -3.929  -4.097  -1.070
  261    HB2  ARG  47           HB2      ARG  47  -4.435  -6.455  -0.361
  262    HB3  ARG  47           HB1      ARG  47  -2.788  -6.216  -0.924
  263    HG2  ARG  47           HG2      ARG  47  -2.067  -6.090   1.444
  264    HG3  ARG  47           HG1      ARG  47  -3.717  -6.462   1.925
  265    HD2  ARG  47           HD2      ARG  47  -2.558  -8.506   1.993
  266    HD3  ARG  47           HD1      ARG  47  -3.515  -8.550   0.515
  267    HE   ARG  47           HE       ARG  47  -0.792  -7.615   0.193
  268   HH11  ARG  47          HH11      ARG  47  -2.966 -10.367   0.111
  269   HH12  ARG  47          HH12      ARG  47  -1.894 -11.339  -0.845
  270   HH21  ARG  47          HH21      ARG  47   0.625  -8.895  -1.025
  271   HH22  ARG  47          HH22      ARG  47   0.162 -10.516  -1.469
  272    H    VAL  48           HN       VAL  48  -6.160  -4.218  -0.644
  273    HA   VAL  48           HA       VAL  48  -6.932  -3.603   2.148
  274    HB   VAL  48           HB       VAL  48  -8.035  -2.362  -0.383
  275   HG11  VAL  48          HG11      VAL  48  -9.845  -2.728   1.188
  276   HG12  VAL  48          HG12      VAL  48  -9.448  -1.011   1.106
  277   HG13  VAL  48          HG13      VAL  48  -8.905  -1.976   2.477
  278   HG21  VAL  48          HG21      VAL  48  -5.840  -1.524   0.475
  279   HG22  VAL  48          HG22      VAL  48  -6.672  -1.047   1.955
  280   HG23  VAL  48          HG23      VAL  48  -7.119  -0.315   0.416
  281    H    ASN  49           HN       ASN  49  -9.070  -4.273   2.776
  282    HA   ASN  49           HA       ASN  49  -9.883  -6.693   1.348
  283    HB2  ASN  49           HB2      ASN  49  -9.375  -6.799   3.808
  284    HB3  ASN  49           HB1      ASN  49 -10.773  -5.765   4.086
  285   HD21  ASN  49          HD21      ASN  49 -11.731  -7.401   5.332
  286   HD22  ASN  49          HD22      ASN  49 -12.468  -8.781   4.598
  287    H    THR  50           HN       THR  50 -10.885  -5.700  -0.276
  288    HA   THR  50           HA       THR  50 -13.056  -3.844   0.029
  289    HB   THR  50           HB       THR  50 -13.694  -4.393  -2.325
  290    HG1  THR  50           HG1      THR  50 -11.421  -6.121  -2.176
  291   HG21  THR  50          HG21      THR  50 -10.800  -3.723  -1.805
  292   HG22  THR  50          HG22      THR  50 -12.149  -2.592  -1.891
  293   HG23  THR  50          HG23      THR  50 -11.636  -3.464  -3.336
  294    H    SER  51           HN       SER  51 -14.885  -4.260   0.958
  295    HA   SER  51           HA       SER  51 -15.685  -6.703   1.932
  296    HB2  SER  51           HB2      SER  51 -16.469  -4.454   2.687
  297    HB3  SER  51           HB1      SER  51 -17.516  -4.391   1.273
  298    HG   SER  51           HG       SER  51 -18.696  -5.141   3.017
  299    H    ASP  52           HN       ASP  52 -16.234  -5.404  -1.248
  300    HA   ASP  52           HA       ASP  52 -18.343  -7.345  -1.778
  301    HB2  ASP  52           HB2      ASP  52 -18.774  -6.152  -3.791
  302    HB3  ASP  52           HB1      ASP  52 -18.556  -4.965  -2.512
  303    H    ARG  53           HN       ARG  53 -14.929  -7.147  -2.195
  304    HA   ARG  53           HA       ARG  53 -15.094  -9.321  -4.164
  305    HB2  ARG  53           HB2      ARG  53 -14.565  -7.150  -5.286
  306    HB3  ARG  53           HB1      ARG  53 -13.097  -7.061  -4.323
  307    HG2  ARG  53           HG2      ARG  53 -12.181  -8.975  -5.387
  308    HG3  ARG  53           HG1      ARG  53 -13.717  -9.348  -6.171
  309    HD2  ARG  53           HD2      ARG  53 -12.237  -8.345  -7.780
  310    HD3  ARG  53           HD1      ARG  53 -13.547  -7.226  -7.426
  311    HE   ARG  53           HE       ARG  53 -10.847  -6.977  -6.259
  312   HH11  ARG  53          HH11      ARG  53 -13.748  -5.550  -7.611
  313   HH12  ARG  53          HH12      ARG  53 -13.107  -3.935  -7.621
  314   HH21  ARG  53          HH21      ARG  53  -9.985  -4.862  -6.297
  315   HH22  ARG  53          HH22      ARG  53 -10.958  -3.551  -6.883
  316    H    GLY  54           HN       GLY  54 -12.986  -7.603  -1.881
  317    HA2  GLY  54           HA2      GLY  54 -12.180  -9.106  -0.052
  318    HA3  GLY  54           HA1      GLY  54 -11.654 -10.176  -1.337
  319    H    TRP  55           HN       TRP  55  -9.579 -10.058  -0.296
  320    HA   TRP  55           HA       TRP  55  -7.994  -7.815  -0.054
  321    HB2  TRP  55           HB2      TRP  55  -7.446 -10.687  -0.575
  322    HB3  TRP  55           HB1      TRP  55  -6.132  -9.556  -0.865
  323    HD1  TRP  55           HD1      TRP  55  -6.935 -11.813   1.663
  324    HE1  TRP  55           HE1      TRP  55  -6.242 -11.022   4.013
  325    HE3  TRP  55           HE3      TRP  55  -6.399  -6.826   0.720
  326    HZ2  TRP  55           HZ2      TRP  55  -5.545  -8.592   5.276
  327    HZ3  TRP  55           HZ3      TRP  55  -5.721  -5.346   2.558
  328    HH2  TRP  55           HH2      TRP  55  -5.316  -6.203   4.792
  329    H    THR  56           HN       THR  56  -7.451  -6.317  -1.436
  330    HA   THR  56           HA       THR  56  -7.864  -6.558  -4.243
  331    HB   THR  56           HB       THR  56  -6.799  -4.319  -4.366
  332    HG1  THR  56           HG1      THR  56  -5.404  -3.999  -2.795
  333   HG21  THR  56          HG21      THR  56  -8.504  -3.129  -3.064
  334   HG22  THR  56          HG22      THR  56  -8.878  -4.619  -2.199
  335   HG23  THR  56          HG23      THR  56  -9.191  -4.501  -3.931
  336    H    ASP  57           HN       ASP  57  -6.223  -6.211  -5.886
  337    HA   ASP  57           HA       ASP  57  -3.926  -7.806  -5.619
  338    HB2  ASP  57           HB2      ASP  57  -3.202  -6.827  -7.756
  339    HB3  ASP  57           HB1      ASP  57  -4.888  -7.310  -7.809
  340    H    GLU  58           HN       GLU  58  -2.034  -7.415  -4.785
  341    HA   GLU  58           HA       GLU  58  -1.689  -5.237  -3.091
  342    HB2  GLU  58           HB2      GLU  58  -0.611  -7.410  -2.764
  343    HB3  GLU  58           HB1      GLU  58   0.448  -7.092  -4.131
  344    HG2  GLU  58           HG2      GLU  58   1.497  -5.295  -2.983
  345    HG3  GLU  58           HG1      GLU  58   0.310  -5.357  -1.682
  346    H    CYS  59           HN       CYS  59  -1.005  -3.305  -3.339
  347    HA   CYS  59           HA       CYS  59  -0.067  -2.463  -5.979
  348    HB2  CYS  59           HB2      CYS  59  -1.027  -0.773  -3.660
  349    HB3  CYS  59           HB1      CYS  59  -0.741  -0.226  -5.309
  350    HG   CYS  59           HG       CYS  59  -2.907  -2.751  -5.198
  351    H    ILE  60           HN       ILE  60   2.091  -2.789  -6.032
  352    HA   ILE  60           HA       ILE  60   3.804  -2.207  -3.815
  353    HB   ILE  60           HB       ILE  60   4.236  -3.108  -6.648
  354   HG12  ILE  60          HG12      ILE  60   5.301  -5.017  -5.571
  355   HG13  ILE  60          HG11      ILE  60   5.105  -4.270  -3.992
  356   HG21  ILE  60          HG21      ILE  60   5.989  -1.494  -6.306
  357   HG22  ILE  60          HG22      ILE  60   6.666  -3.122  -6.258
  358   HG23  ILE  60          HG23      ILE  60   6.407  -2.228  -4.759
  359   HD11  ILE  60          HD11      ILE  60   2.942  -5.280  -5.815
  360   HD12  ILE  60          HD12      ILE  60   2.658  -4.385  -4.322
  361   HD13  ILE  60          HD13      ILE  60   3.451  -5.961  -4.269
  362    H    GLY  61           HN       GLY  61   4.695  -0.362  -3.320
  363    HA2  GLY  61           HA2      GLY  61   4.261   1.969  -4.984
  364    HA3  GLY  61           HA1      GLY  61   4.964   1.950  -3.374
  365    H    GLU  62           HN       GLU  62   6.417   3.538  -4.401
  366    HA   GLU  62           HA       GLU  62   8.357   2.442  -6.271
  367    HB2  GLU  62           HB2      GLU  62   8.061   5.221  -5.112
  368    HB3  GLU  62           HB1      GLU  62   9.189   4.757  -6.380
  369    HG2  GLU  62           HG2      GLU  62   7.313   4.183  -7.838
  370    HG3  GLU  62           HG1      GLU  62   6.185   4.647  -6.568
  371    HA   PRO  63           HA       PRO  63  11.263   1.252  -3.131
  372    HB2  PRO  63           HB2      PRO  63  13.264   2.130  -5.154
  373    HB3  PRO  63           HB1      PRO  63  13.133   0.592  -4.297
  374    HG2  PRO  63           HG2      PRO  63  12.418   0.774  -6.848
  375    HG3  PRO  63           HG1      PRO  63  11.473  -0.205  -5.710
  376    HD2  PRO  63           HD2      PRO  63  10.877   2.499  -6.836
  377    HD3  PRO  63           HD1      PRO  63   9.777   1.149  -6.494
  378    H    MET  64           HN       MET  64  11.632   2.502  -1.436
  379    HA   MET  64           HA       MET  64  12.438   5.300  -1.882
  380    HB2  MET  64           HB2      MET  64  10.633   4.010   0.142
  381    HB3  MET  64           HB1      MET  64  11.366   5.579   0.448
  382    HG2  MET  64           HG2      MET  64   9.588   4.894  -1.876
  383    HG3  MET  64           HG1      MET  64   9.109   5.781  -0.430
  384    HE1  MET  64           HE1      MET  64   8.410   7.084  -3.047
  385    HE2  MET  64           HE2      MET  64   9.062   8.716  -2.892
  386    HE3  MET  64           HE3      MET  64   8.277   7.943  -1.513
  387    HA   PRO  65           HA       PRO  65  15.909   4.437   0.744
  388    HB2  PRO  65           HB2      PRO  65  16.731   6.920   1.278
  389    HB3  PRO  65           HB1      PRO  65  16.799   6.266  -0.363
  390    HG2  PRO  65           HG2      PRO  65  14.819   8.148   0.848
  391    HG3  PRO  65           HG1      PRO  65  15.533   8.162  -0.774
  392    HD2  PRO  65           HD2      PRO  65  13.024   7.159  -0.143
  393    HD3  PRO  65           HD1      PRO  65  13.954   6.747  -1.596
  394    H    SER  66           HN       SER  66  12.996   5.308   1.973
  395    HA   SER  66           HA       SER  66  13.897   4.913   4.675
  396    HB2  SER  66           HB2      SER  66  12.458   7.458   3.876
  397    HB3  SER  66           HB1      SER  66  12.694   6.923   5.540
  398    HG   SER  66           HG       SER  66  15.034   6.880   4.213
  399    H    VAL  67           HN       VAL  67  12.314   4.023   5.951
  400    HA   VAL  67           HA       VAL  67  10.435   2.501   4.480
  401    HB   VAL  67           HB       VAL  67   9.730   1.584   6.666
  402   HG11  VAL  67          HG11      VAL  67  12.709   1.801   6.269
  403   HG12  VAL  67          HG12      VAL  67  11.636   0.626   5.511
  404   HG13  VAL  67          HG13      VAL  67  11.895   0.587   7.255
  405   HG21  VAL  67          HG21      VAL  67   9.945   3.616   8.007
  406   HG22  VAL  67          HG22      VAL  67  11.697   3.565   7.809
  407   HG23  VAL  67          HG23      VAL  67  10.874   2.289   8.704
  408    H    LYS  68           HN       LYS  68  10.106   5.498   6.236
  409    HA   LYS  68           HA       LYS  68   7.311   5.223   6.730
  410    HB2  LYS  68           HB2      LYS  68   9.043   7.696   6.722
  411    HB3  LYS  68           HB1      LYS  68   7.393   7.618   7.319
  412    HG2  LYS  68           HG2      LYS  68   9.726   6.077   8.431
  413    HG3  LYS  68           HG1      LYS  68   9.031   7.542   9.128
  414    HD2  LYS  68           HD2      LYS  68   6.881   6.355   9.394
  415    HD3  LYS  68           HD1      LYS  68   7.636   4.890   8.765
  416    HE2  LYS  68           HE2      LYS  68   8.459   6.376  11.257
  417    HE3  LYS  68           HE1      LYS  68   7.544   4.872  11.209
  418    HZ1  LYS  68           HZ1      LYS  68   9.921   4.536  11.649
  419    HZ2  LYS  68           HZ2      LYS  68  10.296   5.205  10.143
  420    HZ3  LYS  68           HZ3      LYS  68   9.418   3.762  10.233
  421    H    LYS  69           HN       LYS  69   9.231   6.814   4.209
  422    HA   LYS  69           HA       LYS  69   6.854   7.843   2.940
  423    HB2  LYS  69           HB2      LYS  69   8.385   8.647   1.160
  424    HB3  LYS  69           HB1      LYS  69   8.793   9.234   2.765
  425    HG2  LYS  69           HG2      LYS  69  10.598   7.672   2.931
  426    HG3  LYS  69           HG1      LYS  69  10.129   6.916   1.410
  427    HD2  LYS  69           HD2      LYS  69  12.057   8.458   1.177
  428    HD3  LYS  69           HD1      LYS  69  10.674   8.914   0.183
  429    HE2  LYS  69           HE2      LYS  69  10.043  10.612   1.808
  430    HE3  LYS  69           HE1      LYS  69  11.369  10.123   2.860
  431    HZ1  LYS  69           HZ1      LYS  69  12.934  10.804   1.157
  432    HZ2  LYS  69           HZ2      LYS  69  11.927  12.092   1.571
  433    HZ3  LYS  69           HZ3      LYS  69  11.670  11.253   0.127
  434    H    ALA  70           HN       ALA  70   8.750   4.984   2.828
  435    HA   ALA  70           HA       ALA  70   8.118   3.969   0.323
  436    HB1  ALA  70           HB1      ALA  70   8.268   2.437   2.919
  437    HB2  ALA  70           HB2      ALA  70   9.644   2.865   1.904
  438    HB3  ALA  70           HB3      ALA  70   8.411   1.758   1.298
  439    H    LYS  71           HN       LYS  71   6.337   3.313   3.353
  440    HA   LYS  71           HA       LYS  71   4.065   2.182   2.316
  441    HB2  LYS  71           HB2      LYS  71   4.233   4.069   4.670
  442    HB3  LYS  71           HB1      LYS  71   2.887   2.991   4.328
  443    HG2  LYS  71           HG2      LYS  71   4.459   1.074   4.528
  444    HG3  LYS  71           HG1      LYS  71   5.704   2.212   5.039
  445    HD2  LYS  71           HD2      LYS  71   3.072   1.721   6.438
  446    HD3  LYS  71           HD1      LYS  71   4.644   1.116   6.956
  447    HE2  LYS  71           HE2      LYS  71   4.463   2.970   8.286
  448    HE3  LYS  71           HE1      LYS  71   5.285   3.664   6.891
  449    HZ1  LYS  71           HZ1      LYS  71   3.513   5.100   7.510
  450    HZ2  LYS  71           HZ2      LYS  71   2.395   3.836   7.533
  451    HZ3  LYS  71           HZ3      LYS  71   3.057   4.349   6.066
  452    H    ASP  72           HN       ASP  72   4.667   5.650   2.868
  453    HA   ASP  72           HA       ASP  72   2.279   6.709   2.036
  454    HB2  ASP  72           HB2      ASP  72   5.084   7.736   1.794
  455    HB3  ASP  72           HB1      ASP  72   3.745   8.651   1.113
  456    H    SER  73           HN       SER  73   5.055   5.940  -0.095
  457    HA   SER  73           HA       SER  73   3.885   6.929  -2.434
  458    HB2  SER  73           HB2      SER  73   6.298   6.407  -2.142
  459    HB3  SER  73           HB1      SER  73   5.904   4.689  -2.173
  460    HG   SER  73           HG       SER  73   4.832   6.009  -4.297
  461    H    ALA  74           HN       ALA  74   3.822   3.679  -1.006
  462    HA   ALA  74           HA       ALA  74   2.464   2.480  -3.214
  463    HB1  ALA  74           HB1      ALA  74   2.204   0.567  -1.786
  464    HB2  ALA  74           HB2      ALA  74   2.551   1.534  -0.352
  465    HB3  ALA  74           HB3      ALA  74   3.818   1.233  -1.546
  466    H    ALA  75           HN       ALA  75   1.454   3.752  -0.098
  467    HA   ALA  75           HA       ALA  75  -1.266   3.249  -0.150
  468    HB1  ALA  75           HB1      ALA  75  -1.519   5.118   1.383
  469    HB2  ALA  75           HB2      ALA  75   0.080   5.717   0.944
  470    HB3  ALA  75           HB3      ALA  75  -0.083   4.176   1.787
  471    H    VAL  76           HN       VAL  76   0.523   5.852  -1.773
  472    HA   VAL  76           HA       VAL  76  -1.746   7.364  -2.530
  473    HB   VAL  76           HB       VAL  76   0.992   7.238  -3.810
  474   HG11  VAL  76          HG11      VAL  76  -0.652   8.109  -5.386
  475   HG12  VAL  76          HG12      VAL  76   0.420   9.393  -4.828
  476   HG13  VAL  76          HG13      VAL  76  -1.214   9.264  -4.178
  477   HG21  VAL  76          HG21      VAL  76  -0.199   9.182  -1.835
  478   HG22  VAL  76          HG22      VAL  76   1.393   9.322  -2.581
  479   HG23  VAL  76          HG23      VAL  76   1.044   7.978  -1.493
  480    H    LEU  77           HN       LEU  77  -0.047   4.665  -4.002
  481    HA   LEU  77           HA       LEU  77  -1.453   4.781  -6.500
  482    HB2  LEU  77           HB2      LEU  77  -0.014   2.430  -5.270
  483    HB3  LEU  77           HB1      LEU  77  -0.402   2.660  -6.958
  484    HG   LEU  77           HG       LEU  77   1.588   4.279  -5.371
  485   HD11  LEU  77          HD11      LEU  77   3.251   3.204  -6.782
  486   HD12  LEU  77          HD12      LEU  77   1.987   2.266  -7.578
  487   HD13  LEU  77          HD13      LEU  77   2.335   2.004  -5.869
  488   HD21  LEU  77          HD21      LEU  77   2.159   5.319  -7.497
  489   HD22  LEU  77          HD22      LEU  77   0.470   5.621  -7.085
  490   HD23  LEU  77          HD23      LEU  77   0.879   4.408  -8.298
  491    H    LEU  78           HN       LEU  78  -1.745   3.162  -3.449
  492    HA   LEU  78           HA       LEU  78  -3.839   1.382  -4.024
  493    HB2  LEU  78           HB2      LEU  78  -2.448   1.171  -2.074
  494    HB3  LEU  78           HB1      LEU  78  -2.953   2.743  -1.499
  495    HG   LEU  78           HG       LEU  78  -5.293   1.783  -1.327
  496   HD11  LEU  78          HD11      LEU  78  -4.854  -0.175  -2.769
  497   HD12  LEU  78          HD12      LEU  78  -5.496  -0.615  -1.189
  498   HD13  LEU  78          HD13      LEU  78  -3.777  -0.817  -1.529
  499   HD21  LEU  78          HD21      LEU  78  -3.716   2.218   0.553
  500   HD22  LEU  78          HD22      LEU  78  -3.173   0.545   0.417
  501   HD23  LEU  78          HD23      LEU  78  -4.847   0.895   0.851
  502    H    LEU  79           HN       LEU  79  -3.799   4.686  -2.771
  503    HA   LEU  79           HA       LEU  79  -6.567   4.967  -2.389
  504    HB2  LEU  79           HB2      LEU  79  -4.246   6.777  -2.587
  505    HB3  LEU  79           HB1      LEU  79  -5.800   7.499  -2.943
  506    HG   LEU  79           HG       LEU  79  -6.641   6.891  -0.751
  507   HD11  LEU  79          HD11      LEU  79  -3.941   5.618  -0.323
  508   HD12  LEU  79          HD12      LEU  79  -5.498   4.791  -0.403
  509   HD13  LEU  79          HD13      LEU  79  -5.150   5.887   0.935
  510   HD21  LEU  79          HD21      LEU  79  -5.461   9.001  -0.960
  511   HD22  LEU  79          HD22      LEU  79  -3.929   8.197  -0.612
  512   HD23  LEU  79          HD23      LEU  79  -5.181   8.287   0.628
  513    H    GLU  80           HN       GLU  80  -4.628   5.094  -5.269
  514    HA   GLU  80           HA       GLU  80  -6.623   6.329  -6.911
  515    HB2  GLU  80           HB2      GLU  80  -4.296   4.555  -7.694
  516    HB3  GLU  80           HB1      GLU  80  -5.255   5.543  -8.797
  517    HG2  GLU  80           HG2      GLU  80  -4.498   7.547  -7.486
  518    HG3  GLU  80           HG1      GLU  80  -3.385   6.476  -6.637
  519    H    LEU  81           HN       LEU  81  -5.692   3.066  -6.071
  520    HA   LEU  81           HA       LEU  81  -7.350   1.626  -7.829
  521    HB2  LEU  81           HB2      LEU  81  -5.507   0.616  -6.612
  522    HB3  LEU  81           HB1      LEU  81  -6.313   0.941  -5.108
  523    HG   LEU  81           HG       LEU  81  -8.158  -0.581  -5.839
  524   HD11  LEU  81          HD11      LEU  81  -6.188  -1.303  -7.998
  525   HD12  LEU  81          HD12      LEU  81  -7.753  -0.524  -8.231
  526   HD13  LEU  81          HD13      LEU  81  -7.673  -2.177  -7.622
  527   HD21  LEU  81          HD21      LEU  81  -6.931  -2.622  -5.321
  528   HD22  LEU  81          HD22      LEU  81  -6.448  -1.296  -4.264
  529   HD23  LEU  81          HD23      LEU  81  -5.406  -1.782  -5.602
  530    H    LEU  82           HN       LEU  82  -7.710   2.494  -4.460
  531    HA   LEU  82           HA       LEU  82 -10.330   1.541  -4.117
  532    HB2  LEU  82           HB2      LEU  82  -8.979   3.752  -2.578
  533    HB3  LEU  82           HB1      LEU  82 -10.326   2.770  -2.044
  534    HG   LEU  82           HG       LEU  82  -7.481   1.891  -2.462
  535   HD11  LEU  82          HD11      LEU  82  -7.485   1.465  -0.113
  536   HD12  LEU  82          HD12      LEU  82  -9.203   1.837   0.004
  537   HD13  LEU  82          HD13      LEU  82  -8.048   3.112  -0.379
  538   HD21  LEU  82          HD21      LEU  82  -8.222  -0.347  -1.777
  539   HD22  LEU  82          HD22      LEU  82  -8.962   0.157  -3.298
  540   HD23  LEU  82          HD23      LEU  82  -9.897   0.204  -1.807
  541    H    ASN  83           HN       ASN  83  -9.155   4.374  -5.636
  542    HA   ASN  83           HA       ASN  83 -11.704   5.773  -5.412
  543    HB2  ASN  83           HB2      ASN  83  -9.599   7.071  -5.319
  544    HB3  ASN  83           HB1      ASN  83  -9.193   6.513  -6.936
  545   HD21  ASN  83          HD21      ASN  83 -11.510   8.401  -5.082
  546   HD22  ASN  83          HD22      ASN  83 -12.010   9.412  -6.396
  547    H    LYS  84           HN       LYS  84 -10.505   3.296  -7.097
  548    HA   LYS  84           HA       LYS  84 -12.113   3.788  -9.502
  549    HB2  LYS  84           HB2      LYS  84  -9.892   1.821  -8.965
  550    HB3  LYS  84           HB1      LYS  84 -10.853   1.848 -10.436
  551    HG2  LYS  84           HG2      LYS  84 -10.024   3.982 -11.046
  552    HG3  LYS  84           HG1      LYS  84  -9.257   4.193  -9.475
  553    HD2  LYS  84           HD2      LYS  84  -7.581   3.615 -11.118
  554    HD3  LYS  84           HD1      LYS  84  -7.774   2.274  -9.989
  555    HE2  LYS  84           HE2      LYS  84  -7.620   1.461 -12.278
  556    HE3  LYS  84           HE1      LYS  84  -9.210   1.124 -11.604
  557    HZ1  LYS  84           HZ1      LYS  84 -10.064   3.066 -12.785
  558    HZ2  LYS  84           HZ2      LYS  84  -9.390   1.947 -13.854
  559    HZ3  LYS  84           HZ3      LYS  84  -8.538   3.349 -13.453
  560    H    THR  85           HN       THR  85 -12.065   0.886  -9.926
  561    HA   THR  85           HA       THR  85 -13.637  -0.759  -9.762
  562    HB   THR  85           HB       THR  85 -11.962  -1.719  -8.435
  563    HG1  THR  85           HG1      THR  85 -14.469  -1.826  -7.106
  564   HG21  THR  85          HG21      THR  85 -12.887  -0.018  -6.121
  565   HG22  THR  85          HG22      THR  85 -11.379   0.165  -7.014
  566   HG23  THR  85          HG23      THR  85 -11.654  -1.274  -6.033
  Start of MODEL    9
    1    H1   ASN  15           HT1      ASN  15  -4.010   5.530   5.269
    2    H2   ASN  15           HT2      ASN  15  -4.698   4.906   3.856
    3    H3   ASN  15           HT3      ASN  15  -3.416   4.091   4.606
    4    HA   ASN  15           HA       ASN  15  -5.484   2.977   5.048
    5    HB2  ASN  15           HB2      ASN  15  -5.320   2.865   7.478
    6    HB3  ASN  15           HB1      ASN  15  -3.712   2.955   6.773
    7   HD21  ASN  15          HD21      ASN  15  -4.600   3.632   9.463
    8   HD22  ASN  15          HD22      ASN  15  -4.186   5.294   9.708
    9    H    ASP  16           HN       ASP  16  -5.728   6.388   5.218
   10    HA   ASP  16           HA       ASP  16  -7.894   6.616   7.035
   11    HB2  ASP  16           HB2      ASP  16  -6.303   8.460   6.360
   12    HB3  ASP  16           HB1      ASP  16  -7.187   8.568   4.843
   13    H    ILE  17           HN       ILE  17  -7.716   6.440   3.505
   14    HA   ILE  17           HA       ILE  17 -10.488   6.816   3.090
   15    HB   ILE  17           HB       ILE  17  -8.356   5.645   1.310
   16   HG12  ILE  17          HG12      ILE  17  -8.923   7.781   0.023
   17   HG13  ILE  17          HG11      ILE  17  -9.826   8.267   1.449
   18   HG21  ILE  17          HG21      ILE  17 -11.240   6.186   0.605
   19   HG22  ILE  17          HG22      ILE  17 -10.486   4.597   0.727
   20   HG23  ILE  17          HG23      ILE  17  -9.970   5.725  -0.527
   21   HD11  ILE  17          HD11      ILE  17  -7.648   9.282   1.450
   22   HD12  ILE  17          HD12      ILE  17  -6.886   7.696   1.331
   23   HD13  ILE  17          HD13      ILE  17  -7.795   8.132   2.779
   24    H    CYS  18           HN       CYS  18  -8.466   3.943   3.350
   25    HA   CYS  18           HA       CYS  18 -10.436   2.002   2.846
   26    HB2  CYS  18           HB2      CYS  18  -8.061   1.434   2.934
   27    HB3  CYS  18           HB1      CYS  18  -8.007   1.836   4.646
   28    HG   CYS  18           HG       CYS  18  -9.896  -0.260   5.273
   29    H    LEU  19           HN       LEU  19  -9.491   3.685   5.746
   30    HA   LEU  19           HA       LEU  19 -11.076   2.320   7.627
   31    HB2  LEU  19           HB2      LEU  19  -9.197   3.905   8.045
   32    HB3  LEU  19           HB1      LEU  19 -10.261   5.214   7.609
   33    HG   LEU  19           HG       LEU  19 -11.749   4.554   9.511
   34   HD11  LEU  19          HD11      LEU  19 -11.051   2.239   9.750
   35   HD12  LEU  19          HD12      LEU  19 -10.792   3.118  11.257
   36   HD13  LEU  19          HD13      LEU  19  -9.427   2.758  10.202
   37   HD21  LEU  19          HD21      LEU  19  -8.904   5.264  10.217
   38   HD22  LEU  19          HD22      LEU  19 -10.325   5.543  11.223
   39   HD23  LEU  19          HD23      LEU  19 -10.151   6.394   9.689
   40    H    ARG  20           HN       ARG  20 -11.609   5.150   5.618
   41    HA   ARG  20           HA       ARG  20 -14.101   5.935   6.687
   42    HB2  ARG  20           HB2      ARG  20 -12.406   7.250   5.278
   43    HB3  ARG  20           HB1      ARG  20 -13.145   6.477   3.888
   44    HG2  ARG  20           HG2      ARG  20 -15.299   7.464   4.479
   45    HG3  ARG  20           HG1      ARG  20 -14.551   8.249   5.873
   46    HD2  ARG  20           HD2      ARG  20 -13.948   8.716   2.958
   47    HD3  ARG  20           HD1      ARG  20 -14.670   9.850   4.098
   48    HE   ARG  20           HE       ARG  20 -12.151   9.078   5.071
   49   HH11  ARG  20          HH11      ARG  20 -13.565  10.970   2.493
   50   HH12  ARG  20          HH12      ARG  20 -12.168  11.977   2.286
   51   HH21  ARG  20          HH21      ARG  20 -10.287  10.377   4.793
   52   HH22  ARG  20          HH22      ARG  20 -10.308  11.645   3.598
   53    H    LYS  21           HN       LYS  21 -13.188   3.760   4.090
   54    HA   LYS  21           HA       LYS  21 -15.801   3.454   2.990
   55    HB2  LYS  21           HB2      LYS  21 -13.233   1.926   2.722
   56    HB3  LYS  21           HB1      LYS  21 -14.713   1.400   1.924
   57    HG2  LYS  21           HG2      LYS  21 -13.411   4.089   1.563
   58    HG3  LYS  21           HG1      LYS  21 -13.262   2.723   0.455
   59    HD2  LYS  21           HD2      LYS  21 -15.943   3.797   1.234
   60    HD3  LYS  21           HD1      LYS  21 -15.019   4.538  -0.057
   61    HE2  LYS  21           HE2      LYS  21 -14.886   2.276  -1.128
   62    HE3  LYS  21           HE1      LYS  21 -16.002   1.699   0.104
   63    HZ1  LYS  21           HZ1      LYS  21 -17.638   3.284  -0.675
   64    HZ2  LYS  21           HZ2      LYS  21 -17.143   2.283  -1.944
   65    HZ3  LYS  21           HZ3      LYS  21 -16.564   3.868  -1.842
   66    H    ASN  22           HN       ASN  22 -14.872   2.740   5.913
   67    HA   ASN  22           HA       ASN  22 -15.537   1.389   7.591
   68    HB2  ASN  22           HB2      ASN  22 -17.789   1.982   6.658
   69    HB3  ASN  22           HB1      ASN  22 -17.736   0.502   5.710
   70   HD21  ASN  22          HD21      ASN  22 -19.588  -0.267   6.726
   71   HD22  ASN  22          HD22      ASN  22 -19.558  -0.879   8.343
   72    H    TRP  23           HN       TRP  23 -13.677   0.452   5.541
   73    HA   TRP  23           HA       TRP  23 -14.022  -2.443   5.605
   74    HB2  TRP  23           HB2      TRP  23 -11.809  -0.696   4.493
   75    HB3  TRP  23           HB1      TRP  23 -11.837  -2.447   4.385
   76    HD1  TRP  23           HD1      TRP  23 -15.079  -2.465   3.541
   77    HE1  TRP  23           HE1      TRP  23 -15.596  -1.909   1.068
   78    HE3  TRP  23           HE3      TRP  23 -10.748  -0.066   2.331
   79    HZ2  TRP  23           HZ2      TRP  23 -14.295  -0.654  -1.113
   80    HZ3  TRP  23           HZ3      TRP  23 -10.455   0.778   0.046
   81    HH2  TRP  23           HH2      TRP  23 -12.192   0.495  -1.639
   82    HA   PRO  24           HA       PRO  24 -11.321  -2.989   9.131
   83    HB2  PRO  24           HB2      PRO  24  -9.781  -5.094   8.347
   84    HB3  PRO  24           HB1      PRO  24 -11.433  -5.257   8.942
   85    HG2  PRO  24           HG2      PRO  24 -10.419  -5.262   6.139
   86    HG3  PRO  24           HG1      PRO  24 -11.692  -6.251   6.873
   87    HD2  PRO  24           HD2      PRO  24 -12.216  -4.102   5.305
   88    HD3  PRO  24           HD1      PRO  24 -13.283  -4.599   6.629
   89    H    MET  25           HN       MET  25  -8.713  -3.629   9.361
   90    HA   MET  25           HA       MET  25  -7.458  -1.318   8.188
   91    HB2  MET  25           HB2      MET  25  -6.353  -3.426  10.046
   92    HB3  MET  25           HB1      MET  25  -5.537  -1.931   9.604
   93    HG2  MET  25           HG2      MET  25  -8.252  -1.772  10.800
   94    HG3  MET  25           HG1      MET  25  -6.895  -2.165  11.842
   95    HE1  MET  25           HE1      MET  25  -8.506   0.386   9.433
   96    HE2  MET  25           HE2      MET  25  -6.902   0.461   8.698
   97    HE3  MET  25           HE3      MET  25  -7.517   1.836   9.610
   98    HA   PRO  26           HA       PRO  26  -5.857  -3.541   4.709
   99    HB2  PRO  26           HB2      PRO  26  -3.901  -1.412   4.403
  100    HB3  PRO  26           HB1      PRO  26  -5.246  -1.847   3.354
  101    HG2  PRO  26           HG2      PRO  26  -5.196   0.429   4.835
  102    HG3  PRO  26           HG1      PRO  26  -6.691  -0.409   4.388
  103    HD2  PRO  26           HD2      PRO  26  -5.230  -0.393   6.986
  104    HD3  PRO  26           HD1      PRO  26  -6.975  -0.430   6.665
  105    H    SER  27           HN       SER  27  -3.799  -4.317   3.884
  106    HA   SER  27           HA       SER  27  -2.021  -5.104   6.046
  107    HB2  SER  27           HB2      SER  27  -2.863  -6.754   4.384
  108    HB3  SER  27           HB1      SER  27  -1.979  -5.896   3.134
  109    HG   SER  27           HG       SER  27  -1.005  -7.459   5.252
  110    H    TYR  28           HN       TYR  28   0.126  -4.540   6.209
  111    HA   TYR  28           HA       TYR  28   1.304  -2.822   4.209
  112    HB2  TYR  28           HB2      TYR  28   0.768  -1.891   7.029
  113    HB3  TYR  28           HB1      TYR  28   1.975  -1.147   5.994
  114    HD1  TYR  28           HD1      TYR  28   1.273   0.154   4.011
  115    HD2  TYR  28           HD2      TYR  28  -1.578  -1.458   6.727
  116    HE1  TYR  28           HE1      TYR  28  -0.424   1.684   3.119
  117    HE2  TYR  28           HE2      TYR  28  -3.288   0.069   5.839
  118    HH   TYR  28           HH       TYR  28  -2.869   1.828   2.961
  119    H    ARG  29           HN       ARG  29   3.193  -3.950   3.900
  120    HA   ARG  29           HA       ARG  29   5.030  -4.216   6.082
  121    HB2  ARG  29           HB2      ARG  29   3.723  -6.253   6.432
  122    HB3  ARG  29           HB1      ARG  29   3.943  -6.706   4.746
  123    HG2  ARG  29           HG2      ARG  29   6.339  -6.927   5.104
  124    HG3  ARG  29           HG1      ARG  29   6.142  -6.437   6.786
  125    HD2  ARG  29           HD2      ARG  29   4.780  -8.404   7.217
  126    HD3  ARG  29           HD1      ARG  29   4.903  -8.878   5.522
  127    HE   ARG  29           HE       ARG  29   7.495  -8.612   6.481
  128   HH11  ARG  29          HH11      ARG  29   4.703 -10.622   7.128
  129   HH12  ARG  29          HH12      ARG  29   5.649 -11.990   7.621
  130   HH21  ARG  29          HH21      ARG  29   8.735 -10.405   7.125
  131   HH22  ARG  29          HH22      ARG  29   7.944 -11.866   7.620
  132    H    CYS  30           HN       CYS  30   7.045  -3.986   5.327
  133    HA   CYS  30           HA       CYS  30   7.503  -3.346   2.634
  134    HB2  CYS  30           HB2      CYS  30   9.516  -4.069   4.774
  135    HB3  CYS  30           HB1      CYS  30   9.869  -3.225   3.268
  136    HG   CYS  30           HG       CYS  30   9.436  -1.812   6.012
  137    H    VAL  31           HN       VAL  31   7.966  -4.536   0.928
  138    HA   VAL  31           HA       VAL  31   8.070  -7.420   1.242
  139    HB   VAL  31           HB       VAL  31   7.927  -5.748  -1.274
  140   HG11  VAL  31          HG11      VAL  31   7.228  -7.816  -2.374
  141   HG12  VAL  31          HG12      VAL  31   7.457  -8.698  -0.865
  142   HG13  VAL  31          HG13      VAL  31   8.842  -7.973  -1.679
  143   HG21  VAL  31          HG21      VAL  31   5.742  -7.168   0.242
  144   HG22  VAL  31          HG22      VAL  31   5.553  -6.338  -1.302
  145   HG23  VAL  31          HG23      VAL  31   5.974  -5.423   0.146
  146    H    LYS  32           HN       LYS  32  10.110  -4.791   0.061
  147    HA   LYS  32           HA       LYS  32  12.302  -6.700  -0.242
  148    HB2  LYS  32           HB2      LYS  32  11.024  -5.101  -2.354
  149    HB3  LYS  32           HB1      LYS  32  12.778  -5.043  -2.343
  150    HG2  LYS  32           HG2      LYS  32  11.140  -7.569  -2.408
  151    HG3  LYS  32           HG1      LYS  32  11.851  -6.787  -3.822
  152    HD2  LYS  32           HD2      LYS  32  14.082  -7.056  -2.828
  153    HD3  LYS  32           HD1      LYS  32  13.358  -7.869  -1.441
  154    HE2  LYS  32           HE2      LYS  32  12.526  -9.634  -2.904
  155    HE3  LYS  32           HE1      LYS  32  13.230  -8.817  -4.299
  156    HZ1  LYS  32           HZ1      LYS  32  15.418  -9.103  -3.300
  157    HZ2  LYS  32           HZ2      LYS  32  14.656 -10.594  -3.531
  158    HZ3  LYS  32           HZ3      LYS  32  14.730  -9.911  -1.986
  159    H    GLU  33           HN       GLU  33  14.363  -5.440  -0.801
  160    HA   GLU  33           HA       GLU  33  14.625  -2.908   0.578
  161    HB2  GLU  33           HB2      GLU  33  14.710  -4.637   2.386
  162    HB3  GLU  33           HB1      GLU  33  16.101  -5.350   1.586
  163    HG2  GLU  33           HG2      GLU  33  17.321  -3.232   1.894
  164    HG3  GLU  33           HG1      GLU  33  15.936  -2.594   2.778
  165    H    GLY  34           HN       GLY  34  16.894  -2.045   0.337
  166    HA2  GLY  34           HA2      GLY  34  17.624  -2.344  -2.371
  167    HA3  GLY  34           HA1      GLY  34  18.503  -1.423  -1.164
  168    H    GLY  35           HN       GLY  35  19.943  -2.679   0.279
  169    HA2  GLY  35           HA2      GLY  35  21.082  -5.098  -0.022
  170    HA3  GLY  35           HA1      GLY  35  21.587  -4.277  -1.483
  171    HA   PRO  36           HA       PRO  36  25.014  -2.958   1.147
  172    HB2  PRO  36           HB2      PRO  36  25.947  -1.947  -1.464
  173    HB3  PRO  36           HB1      PRO  36  26.744  -3.049  -0.340
  174    HG2  PRO  36           HG2      PRO  36  25.732  -3.920  -2.661
  175    HG3  PRO  36           HG1      PRO  36  25.670  -4.912  -1.191
  176    HD2  PRO  36           HD2      PRO  36  23.510  -3.264  -2.454
  177    HD3  PRO  36           HD1      PRO  36  23.406  -4.886  -1.732
  178    H    ALA  37           HN       ALA  37  26.350  -0.669   0.700
  179    HA   ALA  37           HA       ALA  37  24.612   1.234   1.752
  180    HB1  ALA  37           HB1      ALA  37  26.420   2.811   1.578
  181    HB2  ALA  37           HB2      ALA  37  27.241   1.792   0.398
  182    HB3  ALA  37           HB3      ALA  37  27.056   1.240   2.062
  183    H    HIS  38           HN       HIS  38  25.639   0.780  -1.608
  184    HA   HIS  38           HA       HIS  38  24.486   3.234  -2.503
  185    HB2  HIS  38           HB2      HIS  38  24.793   2.352  -4.783
  186    HB3  HIS  38           HB1      HIS  38  26.263   2.292  -3.821
  187    HD1  HIS  38           HD1      HIS  38  27.353   0.026  -3.528
  188    HD2  HIS  38           HD2      HIS  38  23.602  -0.194  -5.293
  189    HE1  HIS  38           HE1      HIS  38  27.111  -2.352  -4.307
  190    HE2  HIS  38           HE2      HIS  38  24.907  -2.420  -5.519
  191    H    ALA  39           HN       ALA  39  23.070   0.326  -1.610
  192    HA   ALA  39           HA       ALA  39  20.655   1.011  -3.143
  193    HB1  ALA  39           HB1      ALA  39  20.151  -1.370  -3.369
  194    HB2  ALA  39           HB2      ALA  39  21.662  -1.771  -2.554
  195    HB3  ALA  39           HB3      ALA  39  21.694  -0.973  -4.126
  196    H    LYS  40           HN       LYS  40  19.446   1.943  -1.536
  197    HA   LYS  40           HA       LYS  40  18.965   0.280   0.810
  198    HB2  LYS  40           HB2      LYS  40  20.469   2.423   1.154
  199    HB3  LYS  40           HB1      LYS  40  18.907   3.224   1.139
  200    HG2  LYS  40           HG2      LYS  40  19.485   2.766   3.402
  201    HG3  LYS  40           HG1      LYS  40  18.156   1.708   2.940
  202    HD2  LYS  40           HD2      LYS  40  19.786  -0.102   2.532
  203    HD3  LYS  40           HD1      LYS  40  21.076   0.963   3.091
  204    HE2  LYS  40           HE2      LYS  40  19.970   1.134   5.273
  205    HE3  LYS  40           HE1      LYS  40  18.705   0.044   4.711
  206    HZ1  LYS  40           HZ1      LYS  40  21.583  -0.633   4.948
  207    HZ2  LYS  40           HZ2      LYS  40  20.368  -1.680   4.419
  208    HZ3  LYS  40           HZ3      LYS  40  20.365  -1.124   6.015
  209    H    ARG  41           HN       ARG  41  17.642   0.813  -1.777
  210    HA   ARG  41           HA       ARG  41  15.333   2.406  -1.028
  211    HB2  ARG  41           HB2      ARG  41  14.460   1.969  -3.284
  212    HB3  ARG  41           HB1      ARG  41  16.056   2.685  -3.318
  213    HG2  ARG  41           HG2      ARG  41  15.797  -0.277  -3.488
  214    HG3  ARG  41           HG1      ARG  41  15.419   0.705  -4.902
  215    HD2  ARG  41           HD2      ARG  41  17.654   1.733  -4.750
  216    HD3  ARG  41           HD1      ARG  41  18.025   0.682  -3.383
  217    HE   ARG  41           HE       ARG  41  17.338  -1.096  -5.257
  218   HH11  ARG  41          HH11      ARG  41  19.514   1.652  -5.353
  219   HH12  ARG  41          HH12      ARG  41  20.537   0.962  -6.572
  220   HH21  ARG  41          HH21      ARG  41  18.672  -2.002  -6.864
  221   HH22  ARG  41          HH22      ARG  41  20.056  -1.120  -7.432
  222    H    PHE  42           HN       PHE  42  13.501   1.681  -0.387
  223    HA   PHE  42           HA       PHE  42  13.204  -1.232  -0.079
  224    HB2  PHE  42           HB2      PHE  42  11.661   0.821   1.496
  225    HB3  PHE  42           HB1      PHE  42  11.973  -0.860   1.903
  226    HD1  PHE  42           HD1      PHE  42  14.910  -1.011   1.520
  227    HD2  PHE  42           HD2      PHE  42  12.489   2.022   3.264
  228    HE1  PHE  42           HE1      PHE  42  16.823  -0.278   2.895
  229    HE2  PHE  42           HE2      PHE  42  14.387   2.741   4.653
  230    HZ   PHE  42           HZ       PHE  42  16.552   1.587   4.473
  231    H    THR  43           HN       THR  43  11.338  -2.233  -0.635
  232    HA   THR  43           HA       THR  43   9.439  -0.643  -2.217
  233    HB   THR  43           HB       THR  43  10.457  -3.417  -2.894
  234    HG1  THR  43           HG1      THR  43  11.286  -2.032  -4.783
  235   HG21  THR  43          HG21      THR  43   8.176  -2.987  -3.660
  236   HG22  THR  43          HG22      THR  43   9.294  -3.066  -5.022
  237   HG23  THR  43          HG23      THR  43   8.714  -1.504  -4.446
  238    H    PHE  44           HN       PHE  44   7.337  -0.960  -1.537
  239    HA   PHE  44           HA       PHE  44   6.853  -3.277   0.183
  240    HB2  PHE  44           HB2      PHE  44   6.855  -1.720   1.852
  241    HB3  PHE  44           HB1      PHE  44   6.637  -0.379   0.735
  242    HD1  PHE  44           HD2      PHE  44   4.775  -3.212   2.248
  243    HD2  PHE  44           HD1      PHE  44   4.641   0.746   0.720
  244    HE1  PHE  44           HE2      PHE  44   2.430  -3.034   2.914
  245    HE2  PHE  44           HE1      PHE  44   2.288   0.931   1.410
  246    HZ   PHE  44           HZ       PHE  44   1.187  -0.966   2.520
  247    H    GLY  45           HN       GLY  45   4.622  -3.999   0.186
  248    HA2  GLY  45           HA2      GLY  45   3.039  -2.961  -2.076
  249    HA3  GLY  45           HA1      GLY  45   3.224  -4.686  -1.786
  250    H    VAL  46           HN       VAL  46   1.004  -2.408  -1.545
  251    HA   VAL  46           HA       VAL  46   0.047  -3.182   1.132
  252    HB   VAL  46           HB       VAL  46   0.405  -0.768   0.876
  253   HG11  VAL  46          HG11      VAL  46  -0.945   0.562  -0.665
  254   HG12  VAL  46          HG12      VAL  46  -1.588  -0.924  -1.369
  255   HG13  VAL  46          HG13      VAL  46   0.128  -0.552  -1.515
  256   HG21  VAL  46          HG21      VAL  46  -1.406  -1.508   2.330
  257   HG22  VAL  46          HG22      VAL  46  -2.523  -1.479   0.966
  258   HG23  VAL  46          HG23      VAL  46  -1.808   0.023   1.552
  259    H    ARG  47           HN       ARG  47  -2.189  -3.811   1.365
  260    HA   ARG  47           HA       ARG  47  -3.770  -3.987  -1.040
  261    HB2  ARG  47           HB2      ARG  47  -4.369  -6.386  -0.499
  262    HB3  ARG  47           HB1      ARG  47  -2.759  -6.143  -1.161
  263    HG2  ARG  47           HG2      ARG  47  -1.881  -6.251   1.179
  264    HG3  ARG  47           HG1      ARG  47  -3.507  -6.690   1.698
  265    HD2  ARG  47           HD2      ARG  47  -3.454  -8.651   0.259
  266    HD3  ARG  47           HD1      ARG  47  -1.851  -8.201  -0.319
  267    HE   ARG  47           HE       ARG  47  -2.431  -8.955   2.479
  268   HH11  ARG  47          HH11      ARG  47  -0.366  -9.018  -0.356
  269   HH12  ARG  47          HH12      ARG  47   0.890  -9.915   0.432
  270   HH21  ARG  47          HH21      ARG  47  -0.777 -10.159   3.498
  271   HH22  ARG  47          HH22      ARG  47   0.652 -10.570   2.605
  272    H    VAL  48           HN       VAL  48  -5.983  -4.207  -0.594
  273    HA   VAL  48           HA       VAL  48  -6.720  -3.622   2.213
  274    HB   VAL  48           HB       VAL  48  -7.696  -2.290  -0.315
  275   HG11  VAL  48          HG11      VAL  48  -8.739  -1.942   2.489
  276   HG12  VAL  48          HG12      VAL  48  -9.603  -2.697   1.149
  277   HG13  VAL  48          HG13      VAL  48  -9.203  -0.980   1.086
  278   HG21  VAL  48          HG21      VAL  48  -6.484  -1.084   2.156
  279   HG22  VAL  48          HG22      VAL  48  -6.810  -0.286   0.617
  280   HG23  VAL  48          HG23      VAL  48  -5.557  -1.524   0.724
  281    H    ASN  49           HN       ASN  49  -8.919  -4.203   2.815
  282    HA   ASN  49           HA       ASN  49  -9.880  -6.511   1.300
  283    HB2  ASN  49           HB2      ASN  49  -9.474  -6.803   3.728
  284    HB3  ASN  49           HB1      ASN  49 -10.684  -5.568   4.058
  285   HD21  ASN  49          HD21      ASN  49 -11.901  -7.051   5.245
  286   HD22  ASN  49          HD22      ASN  49 -12.851  -8.272   4.481
  287    H    THR  50           HN       THR  50 -10.718  -5.337  -0.313
  288    HA   THR  50           HA       THR  50 -12.803  -3.381   0.028
  289    HB   THR  50           HB       THR  50 -13.360  -3.770  -2.396
  290    HG1  THR  50           HG1      THR  50 -11.375  -5.744  -2.025
  291   HG21  THR  50          HG21      THR  50 -11.287  -2.740  -3.224
  292   HG22  THR  50          HG22      THR  50 -10.495  -3.142  -1.700
  293   HG23  THR  50          HG23      THR  50 -11.844  -2.007  -1.721
  294    H    SER  51           HN       SER  51 -14.701  -3.776   0.831
  295    HA   SER  51           HA       SER  51 -15.620  -6.233   1.617
  296    HB2  SER  51           HB2      SER  51 -16.412  -4.082   2.511
  297    HB3  SER  51           HB1      SER  51 -17.307  -3.797   1.021
  298    HG   SER  51           HG       SER  51 -18.179  -6.072   1.683
  299    H    ASP  52           HN       ASP  52 -15.974  -4.823  -1.536
  300    HA   ASP  52           HA       ASP  52 -18.168  -6.453  -2.336
  301    HB2  ASP  52           HB2      ASP  52 -16.285  -4.768  -3.887
  302    HB3  ASP  52           HB1      ASP  52 -17.598  -5.670  -4.615
  303    H    ARG  53           HN       ARG  53 -14.701  -6.913  -2.368
  304    HA   ARG  53           HA       ARG  53 -15.130  -9.440  -3.792
  305    HB2  ARG  53           HB2      ARG  53 -13.062  -7.382  -4.580
  306    HB3  ARG  53           HB1      ARG  53 -13.140  -9.020  -5.214
  307    HG2  ARG  53           HG2      ARG  53 -15.318  -8.569  -6.181
  308    HG3  ARG  53           HG1      ARG  53 -15.295  -6.942  -5.503
  309    HD2  ARG  53           HD2      ARG  53 -13.267  -6.463  -6.827
  310    HD3  ARG  53           HD1      ARG  53 -13.402  -8.061  -7.560
  311    HE   ARG  53           HE       ARG  53 -15.838  -6.800  -7.958
  312   HH11  ARG  53          HH11      ARG  53 -12.492  -6.328  -8.873
  313   HH12  ARG  53          HH12      ARG  53 -12.875  -5.500 -10.348
  314   HH21  ARG  53          HH21      ARG  53 -16.351  -5.706  -9.906
  315   HH22  ARG  53          HH22      ARG  53 -15.069  -5.158 -10.944
  316    H    GLY  54           HN       GLY  54 -13.021  -7.451  -1.801
  317    HA2  GLY  54           HA2      GLY  54 -12.157  -8.635   0.191
  318    HA3  GLY  54           HA1      GLY  54 -11.695  -9.918  -0.905
  319    H    TRP  55           HN       TRP  55  -9.576  -9.854  -0.294
  320    HA   TRP  55           HA       TRP  55  -7.869  -7.720  -0.143
  321    HB2  TRP  55           HB2      TRP  55  -7.501 -10.571  -0.893
  322    HB3  TRP  55           HB1      TRP  55  -6.168  -9.467  -1.197
  323    HD1  TRP  55           HD1      TRP  55  -6.795 -11.881   1.184
  324    HE1  TRP  55           HE1      TRP  55  -5.954 -11.282   3.541
  325    HE3  TRP  55           HE3      TRP  55  -6.333  -6.826   0.630
  326    HZ2  TRP  55           HZ2      TRP  55  -5.192  -8.964   4.960
  327    HZ3  TRP  55           HZ3      TRP  55  -5.548  -5.497   2.539
  328    HH2  TRP  55           HH2      TRP  55  -5.000  -6.540   4.664
  329    H    THR  56           HN       THR  56  -7.376  -6.170  -1.457
  330    HA   THR  56           HA       THR  56  -7.884  -6.230  -4.261
  331    HB   THR  56           HB       THR  56  -6.783  -4.022  -4.295
  332    HG1  THR  56           HG1      THR  56  -5.239  -3.897  -2.819
  333   HG21  THR  56          HG21      THR  56  -9.136  -4.166  -3.669
  334   HG22  THR  56          HG22      THR  56  -8.329  -2.868  -2.789
  335   HG23  THR  56          HG23      THR  56  -8.680  -4.396  -1.980
  336    H    ASP  57           HN       ASP  57  -6.172  -5.690  -5.876
  337    HA   ASP  57           HA       ASP  57  -4.007  -7.483  -5.809
  338    HB2  ASP  57           HB2      ASP  57  -4.379  -5.003  -7.495
  339    HB3  ASP  57           HB1      ASP  57  -3.167  -6.242  -7.782
  340    H    GLU  58           HN       GLU  58  -2.050  -7.322  -4.982
  341    HA   GLU  58           HA       GLU  58  -1.506  -5.370  -3.062
  342    HB2  GLU  58           HB2      GLU  58  -0.598  -7.596  -2.927
  343    HB3  GLU  58           HB1      GLU  58   0.349  -7.344  -4.382
  344    HG2  GLU  58           HG2      GLU  58   1.623  -5.603  -3.216
  345    HG3  GLU  58           HG1      GLU  58   0.681  -5.912  -1.758
  346    H    CYS  59           HN       CYS  59  -0.964  -3.407  -3.334
  347    HA   CYS  59           HA       CYS  59   0.062  -2.499  -5.907
  348    HB2  CYS  59           HB2      CYS  59  -0.906  -0.899  -3.528
  349    HB3  CYS  59           HB1      CYS  59  -0.519  -0.254  -5.120
  350    HG   CYS  59           HG       CYS  59  -2.835  -2.694  -5.101
  351    H    ILE  60           HN       ILE  60   2.190  -2.786  -6.029
  352    HA   ILE  60           HA       ILE  60   3.972  -2.399  -3.834
  353    HB   ILE  60           HB       ILE  60   4.273  -3.004  -6.754
  354   HG12  ILE  60          HG12      ILE  60   5.474  -4.947  -5.933
  355   HG13  ILE  60          HG11      ILE  60   5.404  -4.337  -4.286
  356   HG21  ILE  60          HG21      ILE  60   5.975  -1.325  -6.375
  357   HG22  ILE  60          HG22      ILE  60   6.710  -2.915  -6.580
  358   HG23  ILE  60          HG23      ILE  60   6.561  -2.212  -4.969
  359   HD11  ILE  60          HD11      ILE  60   2.975  -4.568  -4.326
  360   HD12  ILE  60          HD12      ILE  60   3.792  -6.102  -4.636
  361   HD13  ILE  60          HD13      ILE  60   3.069  -5.199  -5.968
  362    H    GLY  61           HN       GLY  61   4.693  -0.556  -3.106
  363    HA2  GLY  61           HA2      GLY  61   4.197   1.917  -4.475
  364    HA3  GLY  61           HA1      GLY  61   4.999   1.725  -2.923
  365    H    GLU  62           HN       GLU  62   6.253   3.516  -3.995
  366    HA   GLU  62           HA       GLU  62   8.090   2.675  -6.069
  367    HB2  GLU  62           HB2      GLU  62   7.767   5.304  -4.608
  368    HB3  GLU  62           HB1      GLU  62   8.860   5.030  -5.960
  369    HG2  GLU  62           HG2      GLU  62   6.961   4.507  -7.396
  370    HG3  GLU  62           HG1      GLU  62   5.864   4.765  -6.043
  371    HA   PRO  63           HA       PRO  63  11.345   1.360  -3.350
  372    HB2  PRO  63           HB2      PRO  63  13.433   2.194  -5.005
  373    HB3  PRO  63           HB1      PRO  63  12.632   0.624  -5.073
  374    HG2  PRO  63           HG2      PRO  63  12.191   3.054  -6.742
  375    HG3  PRO  63           HG1      PRO  63  12.139   1.344  -7.210
  376    HD2  PRO  63           HD2      PRO  63   9.901   2.773  -6.868
  377    HD3  PRO  63           HD1      PRO  63   9.987   1.063  -6.398
  378    H    MET  64           HN       MET  64  11.482   2.616  -1.589
  379    HA   MET  64           HA       MET  64  12.338   5.415  -1.894
  380    HB2  MET  64           HB2      MET  64  10.443   4.072   0.018
  381    HB3  MET  64           HB1      MET  64  11.157   5.636   0.378
  382    HG2  MET  64           HG2      MET  64   9.465   4.991  -2.021
  383    HG3  MET  64           HG1      MET  64   8.927   5.843  -0.575
  384    HE1  MET  64           HE1      MET  64   8.314   7.165  -3.200
  385    HE2  MET  64           HE2      MET  64   8.939   8.804  -3.019
  386    HE3  MET  64           HE3      MET  64   8.107   8.023  -1.671
  387    HA   PRO  65           HA       PRO  65  15.749   4.390   0.745
  388    HB2  PRO  65           HB2      PRO  65  16.546   6.846   1.446
  389    HB3  PRO  65           HB1      PRO  65  16.688   6.271  -0.219
  390    HG2  PRO  65           HG2      PRO  65  14.597   8.036   1.000
  391    HG3  PRO  65           HG1      PRO  65  15.449   8.221  -0.544
  392    HD2  PRO  65           HD2      PRO  65  12.935   7.166  -0.327
  393    HD3  PRO  65           HD1      PRO  65  14.071   6.733  -1.621
  394    H    SER  66           HN       SER  66  12.809   5.090   1.963
  395    HA   SER  66           HA       SER  66  13.690   4.648   4.672
  396    HB2  SER  66           HB2      SER  66  13.734   7.095   4.563
  397    HB3  SER  66           HB1      SER  66  12.095   7.116   3.915
  398    HG   SER  66           HG       SER  66  11.822   7.453   6.044
  399    H    VAL  67           HN       VAL  67  12.124   3.601   5.873
  400    HA   VAL  67           HA       VAL  67  10.249   2.147   4.294
  401    HB   VAL  67           HB       VAL  67   9.627   0.997   6.378
  402   HG11  VAL  67          HG11      VAL  67  11.839   0.029   6.860
  403   HG12  VAL  67          HG12      VAL  67  12.589   1.340   5.949
  404   HG13  VAL  67          HG13      VAL  67  11.528   0.190   5.133
  405   HG21  VAL  67          HG21      VAL  67  10.769   1.518   8.472
  406   HG22  VAL  67          HG22      VAL  67   9.796   2.883   7.923
  407   HG23  VAL  67          HG23      VAL  67  11.547   2.905   7.711
  408    H    LYS  68           HN       LYS  68   9.980   5.000   6.227
  409    HA   LYS  68           HA       LYS  68   7.213   4.774   6.808
  410    HB2  LYS  68           HB2      LYS  68   8.350   6.203   8.249
  411    HB3  LYS  68           HB1      LYS  68   9.259   6.958   6.946
  412    HG2  LYS  68           HG2      LYS  68   7.292   8.105   6.199
  413    HG3  LYS  68           HG1      LYS  68   6.315   7.321   7.438
  414    HD2  LYS  68           HD2      LYS  68   7.634   8.418   9.178
  415    HD3  LYS  68           HD1      LYS  68   8.639   9.181   7.943
  416    HE2  LYS  68           HE2      LYS  68   6.955  10.733   8.786
  417    HE3  LYS  68           HE1      LYS  68   6.688  10.370   7.083
  418    HZ1  LYS  68           HZ1      LYS  68   4.987   8.758   7.767
  419    HZ2  LYS  68           HZ2      LYS  68   4.613  10.329   8.258
  420    HZ3  LYS  68           HZ3      LYS  68   5.207   9.215   9.381
  421    H    LYS  69           HN       LYS  69   9.085   6.401   4.281
  422    HA   LYS  69           HA       LYS  69   6.682   7.475   3.089
  423    HB2  LYS  69           HB2      LYS  69   8.154   8.451   1.385
  424    HB3  LYS  69           HB1      LYS  69   8.635   8.888   3.018
  425    HG2  LYS  69           HG2      LYS  69  10.340   7.063   2.894
  426    HG3  LYS  69           HG1      LYS  69   9.934   6.904   1.186
  427    HD2  LYS  69           HD2      LYS  69  10.987   9.381   2.552
  428    HD3  LYS  69           HD1      LYS  69  11.885   8.335   1.451
  429    HE2  LYS  69           HE2      LYS  69  10.395   8.920  -0.367
  430    HE3  LYS  69           HE1      LYS  69   9.397   9.880   0.723
  431    HZ1  LYS  69           HZ1      LYS  69  11.258  11.370   1.068
  432    HZ2  LYS  69           HZ2      LYS  69  10.883  11.263  -0.577
  433    HZ3  LYS  69           HZ3      LYS  69  12.229  10.443   0.036
  434    H    ALA  70           HN       ALA  70   8.595   4.659   2.848
  435    HA   ALA  70           HA       ALA  70   8.007   3.743   0.296
  436    HB1  ALA  70           HB1      ALA  70   9.507   2.568   1.829
  437    HB2  ALA  70           HB2      ALA  70   8.254   1.490   1.211
  438    HB3  ALA  70           HB3      ALA  70   8.133   2.136   2.847
  439    H    LYS  71           HN       LYS  71   6.181   3.086   3.293
  440    HA   LYS  71           HA       LYS  71   3.899   1.964   2.298
  441    HB2  LYS  71           HB2      LYS  71   4.239   3.903   4.578
  442    HB3  LYS  71           HB1      LYS  71   2.726   3.082   4.242
  443    HG2  LYS  71           HG2      LYS  71   3.740   0.942   4.657
  444    HG3  LYS  71           HG1      LYS  71   5.326   1.694   4.847
  445    HD2  LYS  71           HD2      LYS  71   4.269   1.154   7.016
  446    HD3  LYS  71           HD1      LYS  71   4.568   2.881   6.820
  447    HE2  LYS  71           HE2      LYS  71   2.213   3.196   6.172
  448    HE3  LYS  71           HE1      LYS  71   1.926   1.473   6.414
  449    HZ1  LYS  71           HZ1      LYS  71   2.442   1.723   8.735
  450    HZ2  LYS  71           HZ2      LYS  71   1.235   2.830   8.317
  451    HZ3  LYS  71           HZ3      LYS  71   2.831   3.355   8.525
  452    H    ASP  72           HN       ASP  72   4.485   5.438   2.766
  453    HA   ASP  72           HA       ASP  72   2.055   6.419   1.961
  454    HB2  ASP  72           HB2      ASP  72   4.806   7.543   1.958
  455    HB3  ASP  72           HB1      ASP  72   3.555   8.427   1.090
  456    H    SER  73           HN       SER  73   4.840   5.726  -0.182
  457    HA   SER  73           HA       SER  73   3.626   6.798  -2.480
  458    HB2  SER  73           HB2      SER  73   5.333   5.547  -3.744
  459    HB3  SER  73           HB1      SER  73   6.033   6.384  -2.361
  460    HG   SER  73           HG       SER  73   5.810   4.308  -1.233
  461    H    ALA  74           HN       ALA  74   3.532   3.556  -1.083
  462    HA   ALA  74           HA       ALA  74   2.128   2.380  -3.289
  463    HB1  ALA  74           HB1      ALA  74   3.480   1.087  -1.643
  464    HB2  ALA  74           HB2      ALA  74   1.847   0.467  -1.874
  465    HB3  ALA  74           HB3      ALA  74   2.233   1.414  -0.437
  466    H    ALA  75           HN       ALA  75   1.258   3.785  -0.200
  467    HA   ALA  75           HA       ALA  75  -1.484   3.281  -0.209
  468    HB1  ALA  75           HB1      ALA  75  -0.074   5.677   0.968
  469    HB2  ALA  75           HB2      ALA  75  -0.212   4.097   1.739
  470    HB3  ALA  75           HB3      ALA  75  -1.657   5.054   1.428
  471    H    VAL  76           HN       VAL  76   0.382   5.781  -1.874
  472    HA   VAL  76           HA       VAL  76  -1.852   7.353  -2.678
  473    HB   VAL  76           HB       VAL  76   0.888   7.116  -3.946
  474   HG11  VAL  76          HG11      VAL  76  -1.234   9.229  -4.322
  475   HG12  VAL  76          HG12      VAL  76  -0.749   8.025  -5.514
  476   HG13  VAL  76          HG13      VAL  76   0.392   9.268  -5.001
  477   HG21  VAL  76          HG21      VAL  76  -0.214   9.120  -1.979
  478   HG22  VAL  76          HG22      VAL  76   1.366   9.210  -2.755
  479   HG23  VAL  76          HG23      VAL  76   1.002   7.888  -1.646
  480    H    LEU  77           HN       LEU  77  -0.233   4.530  -3.969
  481    HA   LEU  77           HA       LEU  77  -1.648   4.494  -6.460
  482    HB2  LEU  77           HB2      LEU  77  -0.201   2.299  -4.970
  483    HB3  LEU  77           HB1      LEU  77  -0.777   2.188  -6.618
  484    HG   LEU  77           HG       LEU  77   1.331   4.118  -5.658
  485   HD11  LEU  77          HD11      LEU  77   1.596   1.596  -7.283
  486   HD12  LEU  77          HD12      LEU  77   2.094   1.795  -5.603
  487   HD13  LEU  77          HD13      LEU  77   2.896   2.715  -6.877
  488   HD21  LEU  77          HD21      LEU  77   1.696   4.492  -8.064
  489   HD22  LEU  77          HD22      LEU  77   0.093   4.998  -7.537
  490   HD23  LEU  77          HD23      LEU  77   0.295   3.482  -8.413
  491    H    LEU  78           HN       LEU  78  -2.104   3.323  -3.252
  492    HA   LEU  78           HA       LEU  78  -4.355   1.675  -3.633
  493    HB2  LEU  78           HB2      LEU  78  -2.803   2.160  -1.581
  494    HB3  LEU  78           HB1      LEU  78  -3.979   3.407  -1.232
  495    HG   LEU  78           HG       LEU  78  -5.741   1.698  -1.095
  496   HD11  LEU  78          HD11      LEU  78  -5.099  -0.672  -1.025
  497   HD12  LEU  78          HD12      LEU  78  -3.458  -0.234  -1.496
  498   HD13  LEU  78          HD13      LEU  78  -4.799   0.042  -2.607
  499   HD21  LEU  78          HD21      LEU  78  -4.752   2.349   0.947
  500   HD22  LEU  78          HD22      LEU  78  -3.282   1.434   0.616
  501   HD23  LEU  78          HD23      LEU  78  -4.789   0.586   0.983
  502    H    LEU  79           HN       LEU  79  -3.951   5.147  -3.310
  503    HA   LEU  79           HA       LEU  79  -6.630   5.886  -2.978
  504    HB2  LEU  79           HB2      LEU  79  -4.147   7.212  -3.803
  505    HB3  LEU  79           HB1      LEU  79  -5.602   7.948  -4.439
  506    HG   LEU  79           HG       LEU  79  -4.856   9.010  -2.353
  507   HD11  LEU  79          HD11      LEU  79  -7.226   9.031  -2.931
  508   HD12  LEU  79          HD12      LEU  79  -6.992   8.965  -1.185
  509   HD13  LEU  79          HD13      LEU  79  -7.455   7.510  -2.066
  510   HD21  LEU  79          HD21      LEU  79  -5.440   6.341  -1.081
  511   HD22  LEU  79          HD22      LEU  79  -4.994   7.824  -0.239
  512   HD23  LEU  79          HD23      LEU  79  -3.836   7.038  -1.315
  513    H    GLU  80           HN       GLU  80  -4.817   5.168  -5.949
  514    HA   GLU  80           HA       GLU  80  -7.040   5.997  -7.588
  515    HB2  GLU  80           HB2      GLU  80  -5.700   5.042  -9.484
  516    HB3  GLU  80           HB1      GLU  80  -4.937   6.368  -8.603
  517    HG2  GLU  80           HG2      GLU  80  -3.579   4.802  -7.390
  518    HG3  GLU  80           HG1      GLU  80  -4.362   3.447  -8.197
  519    H    LEU  81           HN       LEU  81  -5.683   3.025  -6.374
  520    HA   LEU  81           HA       LEU  81  -7.264   1.169  -7.728
  521    HB2  LEU  81           HB2      LEU  81  -5.261   0.818  -6.206
  522    HB3  LEU  81           HB1      LEU  81  -6.379   0.980  -4.874
  523    HG   LEU  81           HG       LEU  81  -5.734  -1.363  -5.599
  524   HD11  LEU  81          HD11      LEU  81  -8.653  -0.656  -5.450
  525   HD12  LEU  81          HD12      LEU  81  -7.575  -0.914  -4.078
  526   HD13  LEU  81          HD13      LEU  81  -7.962  -2.254  -5.161
  527   HD21  LEU  81          HD21      LEU  81  -5.959  -1.009  -8.006
  528   HD22  LEU  81          HD22      LEU  81  -7.694  -0.770  -7.798
  529   HD23  LEU  81          HD23      LEU  81  -6.972  -2.337  -7.437
  530    H    LEU  82           HN       LEU  82  -7.712   2.602  -4.537
  531    HA   LEU  82           HA       LEU  82 -10.393   1.869  -4.144
  532    HB2  LEU  82           HB2      LEU  82  -8.502   3.822  -2.950
  533    HB3  LEU  82           HB1      LEU  82 -10.201   4.023  -2.587
  534    HG   LEU  82           HG       LEU  82 -10.291   2.161  -1.281
  535   HD11  LEU  82          HD11      LEU  82  -8.011   1.001  -2.864
  536   HD12  LEU  82          HD12      LEU  82  -9.701   0.489  -2.885
  537   HD13  LEU  82          HD13      LEU  82  -8.723   0.239  -1.440
  538   HD21  LEU  82          HD21      LEU  82  -8.674   3.711  -0.323
  539   HD22  LEU  82          HD22      LEU  82  -7.369   2.860  -1.153
  540   HD23  LEU  82          HD23      LEU  82  -8.298   2.041   0.105
  541    H    ASN  83           HN       ASN  83  -9.216   3.965  -6.436
  542    HA   ASN  83           HA       ASN  83 -11.642   5.621  -6.437
  543    HB2  ASN  83           HB2      ASN  83  -9.225   6.560  -6.733
  544    HB3  ASN  83           HB1      ASN  83  -9.343   5.908  -8.362
  545   HD21  ASN  83          HD21      ASN  83  -9.066   8.652  -7.465
  546   HD22  ASN  83          HD22      ASN  83 -10.418   9.515  -8.111
  547    H    LYS  84           HN       LYS  84 -10.462   2.772  -7.561
  548    HA   LYS  84           HA       LYS  84 -12.116   2.825  -9.984
  549    HB2  LYS  84           HB2      LYS  84  -9.727   1.092  -9.322
  550    HB3  LYS  84           HB1      LYS  84 -10.697   0.942 -10.779
  551    HG2  LYS  84           HG2      LYS  84  -9.928   2.953 -11.647
  552    HG3  LYS  84           HG1      LYS  84  -9.372   3.525 -10.077
  553    HD2  LYS  84           HD2      LYS  84  -7.625   1.771 -10.096
  554    HD3  LYS  84           HD1      LYS  84  -8.160   1.293 -11.711
  555    HE2  LYS  84           HE2      LYS  84  -7.035   3.976 -10.916
  556    HE3  LYS  84           HE1      LYS  84  -6.199   2.730 -11.837
  557    HZ1  LYS  84           HZ1      LYS  84  -7.051   4.448 -13.284
  558    HZ2  LYS  84           HZ2      LYS  84  -8.623   4.210 -12.708
  559    HZ3  LYS  84           HZ3      LYS  84  -7.852   2.991 -13.592
  560    H    THR  85           HN       THR  85 -13.036   2.436  -7.333
  561    HA   THR  85           HA       THR  85 -14.036  -0.318  -7.503
  562    HB   THR  85           HB       THR  85 -14.027  -0.371  -4.979
  563    HG1  THR  85           HG1      THR  85 -13.679   1.991  -4.859
  564   HG21  THR  85          HG21      THR  85 -11.646  -0.937  -4.784
  565   HG22  THR  85          HG22      THR  85 -11.333  -0.147  -6.330
  566   HG23  THR  85          HG23      THR  85 -12.345  -1.591  -6.265
  Start of MODEL   10
    1    H1   ASN  15           HT1      ASN  15  -4.986   5.004   5.916
    2    H2   ASN  15           HT2      ASN  15  -5.923   6.226   6.612
    3    H3   ASN  15           HT3      ASN  15  -6.245   5.712   5.033
    4    HA   ASN  15           HA       ASN  15  -6.893   3.559   5.801
    5    HB2  ASN  15           HB2      ASN  15  -6.223   4.675   8.522
    6    HB3  ASN  15           HB1      ASN  15  -7.200   3.231   8.287
    7   HD21  ASN  15          HD21      ASN  15  -5.770   1.864   9.262
    8   HD22  ASN  15          HD22      ASN  15  -4.232   1.453   8.578
    9    H    ASP  16           HN       ASP  16  -7.710   6.822   6.345
   10    HA   ASP  16           HA       ASP  16 -10.147   6.489   7.760
   11    HB2  ASP  16           HB2      ASP  16  -9.122   8.751   6.041
   12    HB3  ASP  16           HB1      ASP  16 -10.647   8.818   6.915
   13    H    ILE  17           HN       ILE  17  -9.371   6.745   4.314
   14    HA   ILE  17           HA       ILE  17 -12.015   6.738   3.377
   15    HB   ILE  17           HB       ILE  17  -9.457   5.867   2.038
   16   HG12  ILE  17          HG12      ILE  17  -9.966   7.962   0.686
   17   HG13  ILE  17          HG11      ILE  17 -11.208   8.313   1.877
   18   HG21  ILE  17          HG21      ILE  17 -12.195   6.116   0.794
   19   HG22  ILE  17          HG22      ILE  17 -11.299   4.616   1.041
   20   HG23  ILE  17          HG23      ILE  17 -10.686   5.835  -0.077
   21   HD11  ILE  17          HD11      ILE  17  -9.164   9.544   2.316
   22   HD12  ILE  17          HD12      ILE  17  -8.278   8.025   2.456
   23   HD13  ILE  17          HD13      ILE  17  -9.544   8.418   3.621
   24    H    CYS  18           HN       CYS  18  -9.748   4.138   4.065
   25    HA   CYS  18           HA       CYS  18 -11.325   1.994   3.114
   26    HB2  CYS  18           HB2      CYS  18  -8.845   1.962   3.657
   27    HB3  CYS  18           HB1      CYS  18  -9.294   1.908   5.360
   28    HG   CYS  18           HG       CYS  18 -10.009  -0.610   5.480
   29    H    LEU  19           HN       LEU  19 -10.964   3.570   6.223
   30    HA   LEU  19           HA       LEU  19 -12.570   1.895   7.798
   31    HB2  LEU  19           HB2      LEU  19 -11.032   3.663   8.605
   32    HB3  LEU  19           HB1      LEU  19 -12.167   4.866   8.055
   33    HG   LEU  19           HG       LEU  19 -13.843   4.020   9.647
   34   HD11  LEU  19          HD11      LEU  19 -13.120   1.707   9.794
   35   HD12  LEU  19          HD12      LEU  19 -13.160   2.444  11.395
   36   HD13  LEU  19          HD13      LEU  19 -11.619   2.207  10.571
   37   HD21  LEU  19          HD21      LEU  19 -11.189   4.712  10.902
   38   HD22  LEU  19          HD22      LEU  19 -12.771   4.866  11.666
   39   HD23  LEU  19          HD23      LEU  19 -12.367   5.864  10.271
   40    H    ARG  20           HN       ARG  20 -13.298   4.856   6.034
   41    HA   ARG  20           HA       ARG  20 -15.988   5.128   6.745
   42    HB2  ARG  20           HB2      ARG  20 -14.639   6.891   5.672
   43    HB3  ARG  20           HB1      ARG  20 -14.610   5.957   4.185
   44    HG2  ARG  20           HG2      ARG  20 -17.044   6.170   4.007
   45    HG3  ARG  20           HG1      ARG  20 -17.057   7.131   5.490
   46    HD2  ARG  20           HD2      ARG  20 -15.563   8.767   4.391
   47    HD3  ARG  20           HD1      ARG  20 -15.671   7.829   2.903
   48    HE   ARG  20           HE       ARG  20 -18.270   8.408   3.672
   49   HH11  ARG  20          HH11      ARG  20 -15.405  10.180   2.721
   50   HH12  ARG  20          HH12      ARG  20 -16.296  11.504   2.044
   51   HH21  ARG  20          HH21      ARG  20 -19.445  10.161   2.802
   52   HH22  ARG  20          HH22      ARG  20 -18.591  11.503   2.105
   53    H    LYS  21           HN       LYS  21 -14.434   3.247   4.231
   54    HA   LYS  21           HA       LYS  21 -16.818   2.612   2.802
   55    HB2  LYS  21           HB2      LYS  21 -14.001   1.586   2.771
   56    HB3  LYS  21           HB1      LYS  21 -15.258   0.850   1.777
   57    HG2  LYS  21           HG2      LYS  21 -14.361   3.723   1.690
   58    HG3  LYS  21           HG1      LYS  21 -13.992   2.470   0.503
   59    HD2  LYS  21           HD2      LYS  21 -16.796   3.292   1.193
   60    HD3  LYS  21           HD1      LYS  21 -15.869   4.040  -0.085
   61    HE2  LYS  21           HE2      LYS  21 -15.659   1.911  -1.221
   62    HE3  LYS  21           HE1      LYS  21 -16.501   1.104   0.098
   63    HZ1  LYS  21           HZ1      LYS  21 -17.683   3.211  -1.627
   64    HZ2  LYS  21           HZ2      LYS  21 -18.484   2.331  -0.425
   65    HZ3  LYS  21           HZ3      LYS  21 -17.937   1.550  -1.820
   66    H    ASN  22           HN       ASN  22 -15.925   1.766   5.772
   67    HA   ASN  22           HA       ASN  22 -16.708   0.270   7.276
   68    HB2  ASN  22           HB2      ASN  22 -18.834   0.421   5.937
   69    HB3  ASN  22           HB1      ASN  22 -18.285  -0.960   5.004
   70   HD21  ASN  22          HD21      ASN  22 -19.427   0.138   8.101
   71   HD22  ASN  22          HD22      ASN  22 -19.835  -1.421   8.728
   72    H    TRP  23           HN       TRP  23 -14.441  -0.118   5.328
   73    HA   TRP  23           HA       TRP  23 -14.085  -3.007   5.440
   74    HB2  TRP  23           HB2      TRP  23 -12.186  -0.863   4.465
   75    HB3  TRP  23           HB1      TRP  23 -11.968  -2.595   4.281
   76    HD1  TRP  23           HD1      TRP  23 -15.159  -2.961   3.303
   77    HE1  TRP  23           HE1      TRP  23 -15.647  -2.371   0.829
   78    HE3  TRP  23           HE3      TRP  23 -11.064  -0.075   2.349
   79    HZ2  TRP  23           HZ2      TRP  23 -14.408  -0.887  -1.246
   80    HZ3  TRP  23           HZ3      TRP  23 -10.785   0.885   0.115
   81    HH2  TRP  23           HH2      TRP  23 -12.420   0.490  -1.649
   82    HA   PRO  24           HA       PRO  24 -11.450  -2.891   9.116
   83    HB2  PRO  24           HB2      PRO  24  -9.823  -4.772   7.574
   84    HB3  PRO  24           HB1      PRO  24 -10.464  -4.956   9.199
   85    HG2  PRO  24           HG2      PRO  24 -11.506  -6.310   7.213
   86    HG3  PRO  24           HG1      PRO  24 -12.573  -5.516   8.388
   87    HD2  PRO  24           HD2      PRO  24 -11.802  -4.609   5.634
   88    HD3  PRO  24           HD1      PRO  24 -13.387  -4.643   6.407
   89    H    MET  25           HN       MET  25  -8.893  -2.958   9.409
   90    HA   MET  25           HA       MET  25  -7.861  -0.747   7.881
   91    HB2  MET  25           HB2      MET  25  -6.688  -2.422  10.100
   92    HB3  MET  25           HB1      MET  25  -5.912  -1.000   9.406
   93    HG2  MET  25           HG2      MET  25  -8.660  -0.934  10.600
   94    HG3  MET  25           HG1      MET  25  -7.203  -0.646  11.533
   95    HE1  MET  25           HE1      MET  25  -9.817   1.288  10.979
   96    HE2  MET  25           HE2      MET  25  -9.052   2.870  10.850
   97    HE3  MET  25           HE3      MET  25  -8.562   1.756  12.128
   98    HA   PRO  26           HA       PRO  26  -6.072  -3.229   4.709
   99    HB2  PRO  26           HB2      PRO  26  -4.136  -1.058   4.349
  100    HB3  PRO  26           HB1      PRO  26  -5.330  -1.691   3.221
  101    HG2  PRO  26           HG2      PRO  26  -5.607   0.719   4.390
  102    HG3  PRO  26           HG1      PRO  26  -6.997  -0.306   3.993
  103    HD2  PRO  26           HD2      PRO  26  -5.695   0.189   6.632
  104    HD3  PRO  26           HD1      PRO  26  -7.409  -0.046   6.239
  105    H    SER  27           HN       SER  27  -4.129  -4.242   4.101
  106    HA   SER  27           HA       SER  27  -2.356  -4.794   6.328
  107    HB2  SER  27           HB2      SER  27  -3.299  -6.571   4.791
  108    HB3  SER  27           HB1      SER  27  -2.268  -5.914   3.524
  109    HG   SER  27           HG       SER  27  -1.601  -7.391   5.795
  110    H    TYR  28           HN       TYR  28  -0.136  -4.371   6.366
  111    HA   TYR  28           HA       TYR  28   0.991  -2.895   4.144
  112    HB2  TYR  28           HB2      TYR  28   0.788  -1.849   6.968
  113    HB3  TYR  28           HB1      TYR  28   2.027  -1.282   5.857
  114    HD1  TYR  28           HD2      TYR  28  -1.575  -1.288   6.594
  115    HD2  TYR  28           HD1      TYR  28   1.469   0.167   4.000
  116    HE1  TYR  28           HE2      TYR  28  -3.147   0.368   5.681
  117    HE2  TYR  28           HE1      TYR  28  -0.090   1.826   3.085
  118    HH   TYR  28           HH       TYR  28  -2.540   2.111   2.848
  119    H    ARG  29           HN       ARG  29   2.771  -4.085   3.652
  120    HA   ARG  29           HA       ARG  29   4.490  -5.072   5.785
  121    HB2  ARG  29           HB2      ARG  29   2.897  -6.887   5.431
  122    HB3  ARG  29           HB1      ARG  29   3.198  -6.846   3.701
  123    HG2  ARG  29           HG2      ARG  29   5.557  -7.491   4.159
  124    HG3  ARG  29           HG1      ARG  29   5.120  -7.686   5.858
  125    HD2  ARG  29           HD2      ARG  29   3.443  -9.357   5.230
  126    HD3  ARG  29           HD1      ARG  29   3.887  -9.161   3.537
  127    HE   ARG  29           HE       ARG  29   5.910 -10.038   5.478
  128   HH11  ARG  29          HH11      ARG  29   3.933 -10.672   2.653
  129   HH12  ARG  29          HH12      ARG  29   4.773 -12.128   2.232
  130   HH21  ARG  29          HH21      ARG  29   7.006 -11.976   4.931
  131   HH22  ARG  29          HH22      ARG  29   6.512 -12.876   3.532
  132    H    CYS  30           HN       CYS  30   6.530  -4.620   5.230
  133    HA   CYS  30           HA       CYS  30   7.260  -3.630   2.698
  134    HB2  CYS  30           HB2      CYS  30   9.003  -4.703   4.923
  135    HB3  CYS  30           HB1      CYS  30   9.584  -3.779   3.542
  136    HG   CYS  30           HG       CYS  30   7.740  -2.691   6.193
  137    H    VAL  31           HN       VAL  31   7.640  -4.678   0.863
  138    HA   VAL  31           HA       VAL  31   7.778  -7.567   0.916
  139    HB   VAL  31           HB       VAL  31   7.592  -7.479  -1.507
  140   HG11  VAL  31          HG11      VAL  31   5.563  -7.450  -0.178
  141   HG12  VAL  31          HG12      VAL  31   5.349  -6.502  -1.650
  142   HG13  VAL  31          HG13      VAL  31   5.621  -5.689  -0.109
  143   HG21  VAL  31          HG21      VAL  31   7.216  -5.358  -2.685
  144   HG22  VAL  31          HG22      VAL  31   8.843  -5.480  -2.013
  145   HG23  VAL  31          HG23      VAL  31   7.629  -4.487  -1.208
  146    H    LYS  32           HN       LYS  32   9.839  -4.851   0.014
  147    HA   LYS  32           HA       LYS  32  12.099  -6.707  -0.029
  148    HB2  LYS  32           HB2      LYS  32  11.358  -6.118  -2.370
  149    HB3  LYS  32           HB1      LYS  32  11.762  -4.451  -2.000
  150    HG2  LYS  32           HG2      LYS  32  14.080  -5.060  -1.626
  151    HG3  LYS  32           HG1      LYS  32  13.698  -6.754  -1.939
  152    HD2  LYS  32           HD2      LYS  32  13.030  -6.184  -4.220
  153    HD3  LYS  32           HD1      LYS  32  13.391  -4.486  -3.906
  154    HE2  LYS  32           HE2      LYS  32  15.733  -5.053  -3.508
  155    HE3  LYS  32           HE1      LYS  32  15.376  -6.756  -3.795
  156    HZ1  LYS  32           HZ1      LYS  32  14.714  -6.181  -6.055
  157    HZ2  LYS  32           HZ2      LYS  32  16.320  -5.742  -5.754
  158    HZ3  LYS  32           HZ3      LYS  32  15.111  -4.562  -5.774
  159    H    GLU  33           HN       GLU  33  13.664  -6.068   1.255
  160    HA   GLU  33           HA       GLU  33  13.874  -3.219   1.985
  161    HB2  GLU  33           HB2      GLU  33  13.400  -4.752   3.873
  162    HB3  GLU  33           HB1      GLU  33  14.868  -5.642   3.504
  163    HG2  GLU  33           HG2      GLU  33  16.199  -3.660   4.001
  164    HG3  GLU  33           HG1      GLU  33  14.726  -2.759   4.353
  165    H    GLY  34           HN       GLY  34  15.932  -2.245   1.950
  166    HA2  GLY  34           HA2      GLY  34  17.492  -3.170  -0.249
  167    HA3  GLY  34           HA1      GLY  34  17.786  -1.730   0.706
  168    H    GLY  35           HN       GLY  35  19.724  -3.520  -0.306
  169    HA2  GLY  35           HA2      GLY  35  20.614  -5.356   1.700
  170    HA3  GLY  35           HA1      GLY  35  21.466  -4.889   0.253
  171    HA   PRO  36           HA       PRO  36  24.556  -3.686   3.214
  172    HB2  PRO  36           HB2      PRO  36  25.367  -2.317   0.671
  173    HB3  PRO  36           HB1      PRO  36  26.363  -3.203   1.828
  174    HG2  PRO  36           HG2      PRO  36  25.592  -4.372  -0.416
  175    HG3  PRO  36           HG1      PRO  36  25.592  -5.276   1.111
  176    HD2  PRO  36           HD2      PRO  36  23.307  -4.194  -0.445
  177    HD3  PRO  36           HD1      PRO  36  23.372  -5.614   0.613
  178    H    ALA  37           HN       ALA  37  24.132  -1.054   0.865
  179    HA   ALA  37           HA       ALA  37  22.771   0.690   2.642
  180    HB1  ALA  37           HB1      ALA  37  25.703   1.284   2.249
  181    HB2  ALA  37           HB2      ALA  37  24.968   0.726   3.750
  182    HB3  ALA  37           HB3      ALA  37  24.534   2.301   3.088
  183    H    HIS  38           HN       HIS  38  24.897   0.348  -0.141
  184    HA   HIS  38           HA       HIS  38  24.009   2.714  -1.463
  185    HB2  HIS  38           HB2      HIS  38  25.234   1.889  -3.400
  186    HB3  HIS  38           HB1      HIS  38  26.197   1.663  -1.948
  187    HD1  HIS  38           HD1      HIS  38  26.765  -0.751  -1.262
  188    HD2  HIS  38           HD2      HIS  38  24.351  -0.487  -4.640
  189    HE1  HIS  38           HE1      HIS  38  26.706  -3.066  -2.235
  190    HE2  HIS  38           HE2      HIS  38  25.157  -2.908  -4.218
  191    H    ALA  39           HN       ALA  39  22.194   0.260  -0.657
  192    HA   ALA  39           HA       ALA  39  20.416   0.563  -2.935
  193    HB1  ALA  39           HB1      ALA  39  20.056  -1.833  -3.169
  194    HB2  ALA  39           HB2      ALA  39  21.272  -2.149  -1.931
  195    HB3  ALA  39           HB3      ALA  39  21.746  -1.429  -3.470
  196    H    LYS  40           HN       LYS  40  20.382   1.528  -0.241
  197    HA   LYS  40           HA       LYS  40  18.679  -0.191   1.298
  198    HB2  LYS  40           HB2      LYS  40  20.462   1.676   2.054
  199    HB3  LYS  40           HB1      LYS  40  18.968   2.598   2.162
  200    HG2  LYS  40           HG2      LYS  40  19.491   1.585   4.297
  201    HG3  LYS  40           HG1      LYS  40  18.011   0.901   3.628
  202    HD2  LYS  40           HD2      LYS  40  19.349  -1.021   2.785
  203    HD3  LYS  40           HD1      LYS  40  20.757  -0.349   3.605
  204    HE2  LYS  40           HE2      LYS  40  19.651  -0.570   5.746
  205    HE3  LYS  40           HE1      LYS  40  18.178  -1.131   4.958
  206    HZ1  LYS  40           HZ1      LYS  40  19.378  -3.078   4.175
  207    HZ2  LYS  40           HZ2      LYS  40  19.460  -2.967   5.862
  208    HZ3  LYS  40           HZ3      LYS  40  20.796  -2.534   4.923
  209    H    ARG  41           HN       ARG  41  17.769   0.880  -1.293
  210    HA   ARG  41           HA       ARG  41  15.525   2.563  -0.572
  211    HB2  ARG  41           HB2      ARG  41  14.818   2.172  -2.970
  212    HB3  ARG  41           HB1      ARG  41  16.347   2.999  -2.749
  213    HG2  ARG  41           HG2      ARG  41  17.545   0.915  -3.214
  214    HG3  ARG  41           HG1      ARG  41  16.001   0.082  -3.425
  215    HD2  ARG  41           HD2      ARG  41  15.452   1.598  -5.275
  216    HD3  ARG  41           HD1      ARG  41  17.006   2.401  -5.070
  217    HE   ARG  41           HE       ARG  41  17.762  -0.129  -5.483
  218   HH11  ARG  41          HH11      ARG  41  15.491   1.920  -7.189
  219   HH12  ARG  41          HH12      ARG  41  15.732   1.133  -8.718
  220   HH21  ARG  41          HH21      ARG  41  18.101  -1.150  -7.508
  221   HH22  ARG  41          HH22      ARG  41  17.225  -0.596  -8.900
  222    H    PHE  42           HN       PHE  42  13.527   1.930  -0.216
  223    HA   PHE  42           HA       PHE  42  13.157  -0.974   0.120
  224    HB2  PHE  42           HB2      PHE  42  11.652   1.180   1.599
  225    HB3  PHE  42           HB1      PHE  42  11.778  -0.527   2.008
  226    HD1  PHE  42           HD1      PHE  42  14.497  -1.197   2.077
  227    HD2  PHE  42           HD2      PHE  42  12.698   2.517   3.105
  228    HE1  PHE  42           HE1      PHE  42  16.407  -0.684   3.546
  229    HE2  PHE  42           HE2      PHE  42  14.591   3.027   4.587
  230    HZ   PHE  42           HZ       PHE  42  16.443   1.425   4.815
  231    H    THR  43           HN       THR  43  11.305  -1.960  -0.471
  232    HA   THR  43           HA       THR  43   9.322  -0.352  -1.929
  233    HB   THR  43           HB       THR  43  10.340  -3.078  -2.792
  234    HG1  THR  43           HG1      THR  43  10.979  -0.435  -3.628
  235   HG21  THR  43          HG21      THR  43   9.084  -2.607  -4.848
  236   HG22  THR  43          HG22      THR  43   8.523  -1.084  -4.161
  237   HG23  THR  43          HG23      THR  43   8.022  -2.613  -3.440
  238    H    PHE  44           HN       PHE  44   7.174  -0.941  -1.513
  239    HA   PHE  44           HA       PHE  44   6.715  -3.333   0.079
  240    HB2  PHE  44           HB2      PHE  44   6.655  -2.041   1.943
  241    HB3  PHE  44           HB1      PHE  44   6.646  -0.553   1.004
  242    HD1  PHE  44           HD2      PHE  44   4.477  -3.264   2.277
  243    HD2  PHE  44           HD1      PHE  44   4.729   0.693   0.770
  244    HE1  PHE  44           HE2      PHE  44   2.109  -2.913   2.813
  245    HE2  PHE  44           HE1      PHE  44   2.371   1.056   1.327
  246    HZ   PHE  44           HZ       PHE  44   1.061  -0.747   2.355
  247    H    GLY  45           HN       GLY  45   4.451  -4.002   0.001
  248    HA2  GLY  45           HA2      GLY  45   2.909  -2.650  -2.125
  249    HA3  GLY  45           HA1      GLY  45   3.007  -4.403  -2.016
  250    H    VAL  46           HN       VAL  46   0.721  -2.386  -1.778
  251    HA   VAL  46           HA       VAL  46  -0.158  -2.943   0.989
  252    HB   VAL  46           HB       VAL  46  -1.736  -1.129  -0.740
  253   HG11  VAL  46          HG11      VAL  46  -0.894  -1.102   2.142
  254   HG12  VAL  46          HG12      VAL  46  -2.481  -1.491   1.480
  255   HG13  VAL  46          HG13      VAL  46  -1.865   0.158   1.386
  256   HG21  VAL  46          HG21      VAL  46   0.451  -0.369  -1.358
  257   HG22  VAL  46          HG22      VAL  46   0.945  -0.299   0.332
  258   HG23  VAL  46          HG23      VAL  46  -0.290   0.806  -0.271
  259    H    ARG  47           HN       ARG  47  -2.344  -3.734   1.320
  260    HA   ARG  47           HA       ARG  47  -3.923  -4.251  -1.043
  261    HB2  ARG  47           HB2      ARG  47  -4.440  -6.570  -0.254
  262    HB3  ARG  47           HB1      ARG  47  -2.781  -6.371  -0.800
  263    HG2  ARG  47           HG2      ARG  47  -2.079  -6.181   1.563
  264    HG3  ARG  47           HG1      ARG  47  -3.745  -6.480   2.048
  265    HD2  ARG  47           HD2      ARG  47  -2.602  -8.551   2.201
  266    HD3  ARG  47           HD1      ARG  47  -3.628  -8.635   0.772
  267    HE   ARG  47           HE       ARG  47  -0.930  -7.781   0.229
  268   HH11  ARG  47          HH11      ARG  47  -3.068 -10.530   0.573
  269   HH12  ARG  47          HH12      ARG  47  -2.054 -11.595  -0.340
  270   HH21  ARG  47          HH21      ARG  47   0.429  -9.182  -0.952
  271   HH22  ARG  47          HH22      ARG  47  -0.063 -10.836  -1.207
  272    H    VAL  48           HN       VAL  48  -6.110  -4.185  -0.608
  273    HA   VAL  48           HA       VAL  48  -6.852  -3.518   2.181
  274    HB   VAL  48           HB       VAL  48  -7.927  -2.314  -0.374
  275   HG11  VAL  48          HG11      VAL  48  -8.740  -1.781   2.477
  276   HG12  VAL  48          HG12      VAL  48  -9.720  -2.587   1.250
  277   HG13  VAL  48          HG13      VAL  48  -9.296  -0.884   1.063
  278   HG21  VAL  48          HG21      VAL  48  -6.931  -0.279   0.323
  279   HG22  VAL  48          HG22      VAL  48  -5.692  -1.529   0.472
  280   HG23  VAL  48          HG23      VAL  48  -6.534  -0.944   1.905
  281    H    ASN  49           HN       ASN  49  -9.002  -4.105   2.837
  282    HA   ASN  49           HA       ASN  49  -9.924  -6.535   1.505
  283    HB2  ASN  49           HB2      ASN  49  -9.504  -6.527   3.971
  284    HB3  ASN  49           HB1      ASN  49 -10.801  -5.357   4.147
  285   HD21  ASN  49          HD21      ASN  49 -10.016  -8.661   3.358
  286   HD22  ASN  49          HD22      ASN  49 -11.616  -9.291   3.537
  287    H    THR  50           HN       THR  50 -10.811  -5.508  -0.233
  288    HA   THR  50           HA       THR  50 -12.969  -3.607   0.055
  289    HB   THR  50           HB       THR  50 -13.421  -4.004  -2.382
  290    HG1  THR  50           HG1      THR  50 -11.320  -5.872  -1.995
  291   HG21  THR  50          HG21      THR  50 -11.362  -2.902  -3.144
  292   HG22  THR  50          HG22      THR  50 -10.596  -3.292  -1.605
  293   HG23  THR  50          HG23      THR  50 -11.978  -2.199  -1.649
  294    H    SER  51           HN       SER  51 -14.817  -4.139   0.880
  295    HA   SER  51           HA       SER  51 -15.632  -6.640   1.602
  296    HB2  SER  51           HB2      SER  51 -16.533  -4.460   2.431
  297    HB3  SER  51           HB1      SER  51 -17.509  -4.364   0.968
  298    HG   SER  51           HG       SER  51 -17.713  -6.133   3.142
  299    H    ASP  52           HN       ASP  52 -16.086  -5.157  -1.525
  300    HA   ASP  52           HA       ASP  52 -18.153  -7.017  -2.305
  301    HB2  ASP  52           HB2      ASP  52 -18.267  -5.835  -4.346
  302    HB3  ASP  52           HB1      ASP  52 -17.996  -4.622  -3.103
  303    H    ARG  53           HN       ARG  53 -14.688  -7.016  -2.383
  304    HA   ARG  53           HA       ARG  53 -14.746  -9.232  -4.323
  305    HB2  ARG  53           HB2      ARG  53 -13.972  -7.011  -5.295
  306    HB3  ARG  53           HB1      ARG  53 -12.580  -7.137  -4.230
  307    HG2  ARG  53           HG2      ARG  53 -11.699  -8.042  -6.117
  308    HG3  ARG  53           HG1      ARG  53 -12.356  -9.500  -5.372
  309    HD2  ARG  53           HD2      ARG  53 -13.722  -7.829  -7.478
  310    HD3  ARG  53           HD1      ARG  53 -12.904  -9.360  -7.759
  311    HE   ARG  53           HE       ARG  53 -14.624 -10.343  -6.225
  312   HH11  ARG  53          HH11      ARG  53 -15.295  -7.353  -7.927
  313   HH12  ARG  53          HH12      ARG  53 -17.000  -7.655  -8.035
  314   HH21  ARG  53          HH21      ARG  53 -16.867 -10.726  -6.356
  315   HH22  ARG  53          HH22      ARG  53 -17.896  -9.564  -7.140
  316    H    GLY  54           HN       GLY  54 -12.926  -7.551  -1.811
  317    HA2  GLY  54           HA2      GLY  54 -12.183  -8.959   0.083
  318    HA3  GLY  54           HA1      GLY  54 -11.596 -10.084  -1.129
  319    H    TRP  55           HN       TRP  55  -9.520  -9.946  -0.186
  320    HA   TRP  55           HA       TRP  55  -7.951  -7.677   0.013
  321    HB2  TRP  55           HB2      TRP  55  -7.361 -10.547  -0.543
  322    HB3  TRP  55           HB1      TRP  55  -6.073  -9.375  -0.777
  323    HD1  TRP  55           HD1      TRP  55  -6.862 -11.718   1.685
  324    HE1  TRP  55           HE1      TRP  55  -6.225 -10.975   4.063
  325    HE3  TRP  55           HE3      TRP  55  -6.423  -6.699   0.873
  326    HZ2  TRP  55           HZ2      TRP  55  -5.605  -8.564   5.399
  327    HZ3  TRP  55           HZ3      TRP  55  -5.803  -5.252   2.757
  328    HH2  TRP  55           HH2      TRP  55  -5.416  -6.156   4.976
  329    H    THR  56           HN       THR  56  -7.408  -6.196  -1.385
  330    HA   THR  56           HA       THR  56  -7.967  -6.368  -4.158
  331    HB   THR  56           HB       THR  56  -6.781  -4.187  -4.311
  332    HG1  THR  56           HG1      THR  56  -5.277  -4.017  -2.804
  333   HG21  THR  56          HG21      THR  56  -8.753  -4.411  -2.041
  334   HG22  THR  56          HG22      THR  56  -9.153  -4.260  -3.752
  335   HG23  THR  56          HG23      THR  56  -8.349  -2.933  -2.914
  336    H    ASP  57           HN       ASP  57  -6.300  -5.801  -5.841
  337    HA   ASP  57           HA       ASP  57  -4.115  -7.586  -5.865
  338    HB2  ASP  57           HB2      ASP  57  -4.496  -5.057  -7.484
  339    HB3  ASP  57           HB1      ASP  57  -3.358  -6.343  -7.849
  340    H    GLU  58           HN       GLU  58  -2.173  -7.393  -4.965
  341    HA   GLU  58           HA       GLU  58  -1.685  -5.371  -3.105
  342    HB2  GLU  58           HB2      GLU  58  -0.752  -7.593  -2.878
  343    HB3  GLU  58           HB1      GLU  58   0.254  -7.349  -4.297
  344    HG2  GLU  58           HG2      GLU  58   1.509  -5.646  -3.162
  345    HG3  GLU  58           HG1      GLU  58   0.428  -5.719  -1.774
  346    H    CYS  59           HN       CYS  59  -1.048  -3.430  -3.355
  347    HA   CYS  59           HA       CYS  59  -0.061  -2.547  -5.957
  348    HB2  CYS  59           HB2      CYS  59  -0.906  -0.905  -3.562
  349    HB3  CYS  59           HB1      CYS  59  -0.609  -0.305  -5.190
  350    HG   CYS  59           HG       CYS  59  -2.900  -2.719  -5.152
  351    H    ILE  60           HN       ILE  60   2.081  -3.024  -6.028
  352    HA   ILE  60           HA       ILE  60   3.865  -2.488  -3.870
  353    HB   ILE  60           HB       ILE  60   4.199  -3.336  -6.733
  354   HG12  ILE  60          HG12      ILE  60   5.272  -5.280  -5.712
  355   HG13  ILE  60          HG11      ILE  60   5.113  -4.556  -4.118
  356   HG21  ILE  60          HG21      ILE  60   6.460  -2.570  -4.902
  357   HG22  ILE  60          HG22      ILE  60   5.982  -1.733  -6.378
  358   HG23  ILE  60          HG23      ILE  60   6.627  -3.373  -6.464
  359   HD11  ILE  60          HD11      ILE  60   2.904  -5.502  -5.918
  360   HD12  ILE  60          HD12      ILE  60   2.661  -4.628  -4.407
  361   HD13  ILE  60          HD13      ILE  60   3.428  -6.216  -4.393
  362    H    GLY  61           HN       GLY  61   4.729  -0.664  -3.333
  363    HA2  GLY  61           HA2      GLY  61   4.317   1.704  -4.950
  364    HA3  GLY  61           HA1      GLY  61   4.973   1.647  -3.322
  365    H    GLU  62           HN       GLU  62   6.442   3.254  -4.248
  366    HA   GLU  62           HA       GLU  62   8.351   2.306  -6.223
  367    HB2  GLU  62           HB2      GLU  62   8.046   4.992  -4.870
  368    HB3  GLU  62           HB1      GLU  62   9.136   4.635  -6.204
  369    HG2  GLU  62           HG2      GLU  62   7.241   4.132  -7.640
  370    HG3  GLU  62           HG1      GLU  62   6.135   4.440  -6.303
  371    HA   PRO  63           HA       PRO  63  11.643   1.383  -3.332
  372    HB2  PRO  63           HB2      PRO  63  13.412   2.621  -5.359
  373    HB3  PRO  63           HB1      PRO  63  13.463   0.997  -4.664
  374    HG2  PRO  63           HG2      PRO  63  12.638   1.414  -7.177
  375    HG3  PRO  63           HG1      PRO  63  11.901   0.170  -6.151
  376    HD2  PRO  63           HD2      PRO  63  10.862   2.871  -6.895
  377    HD3  PRO  63           HD1      PRO  63   9.990   1.340  -6.695
  378    H    MET  64           HN       MET  64  11.613   2.738  -1.620
  379    HA   MET  64           HA       MET  64  12.323   5.560  -2.058
  380    HB2  MET  64           HB2      MET  64  10.531   4.336   0.041
  381    HB3  MET  64           HB1      MET  64  10.945   6.042  -0.070
  382    HG2  MET  64           HG2      MET  64   9.453   4.457  -2.147
  383    HG3  MET  64           HG1      MET  64   8.747   5.580  -0.992
  384    HE1  MET  64           HE1      MET  64   8.892   8.176  -1.145
  385    HE2  MET  64           HE2      MET  64  10.076   9.018  -2.145
  386    HE3  MET  64           HE3      MET  64  10.615   7.967  -0.834
  387    HA   PRO  65           HA       PRO  65  15.776   4.788   0.575
  388    HB2  PRO  65           HB2      PRO  65  16.429   7.310   1.265
  389    HB3  PRO  65           HB1      PRO  65  16.653   6.692  -0.376
  390    HG2  PRO  65           HG2      PRO  65  14.453   8.401   0.720
  391    HG3  PRO  65           HG1      PRO  65  15.323   8.549  -0.817
  392    HD2  PRO  65           HD2      PRO  65  12.855   7.410  -0.592
  393    HD3  PRO  65           HD1      PRO  65  14.030   6.951  -1.840
  394    H    SER  66           HN       SER  66  12.811   5.633   1.796
  395    HA   SER  66           HA       SER  66  13.742   5.238   4.525
  396    HB2  SER  66           HB2      SER  66  13.562   7.633   4.430
  397    HB3  SER  66           HB1      SER  66  12.025   7.540   3.573
  398    HG   SER  66           HG       SER  66  12.567   7.342   6.264
  399    H    VAL  67           HN       VAL  67  12.308   4.098   5.769
  400    HA   VAL  67           HA       VAL  67  10.528   2.393   4.388
  401    HB   VAL  67           HB       VAL  67   9.867   1.589   6.675
  402   HG11  VAL  67          HG11      VAL  67  11.697   0.557   5.450
  403   HG12  VAL  67          HG12      VAL  67  12.047   0.591   7.178
  404   HG13  VAL  67          HG13      VAL  67  12.822   1.749   6.098
  405   HG21  VAL  67          HG21      VAL  67  11.156   2.393   8.598
  406   HG22  VAL  67          HG22      VAL  67  10.169   3.676   7.901
  407   HG23  VAL  67          HG23      VAL  67  11.903   3.625   7.582
  408    H    LYS  68           HN       LYS  68  10.021   5.301   6.316
  409    HA   LYS  68           HA       LYS  68   7.252   5.146   6.544
  410    HB2  LYS  68           HB2      LYS  68   8.896   6.717   7.703
  411    HB3  LYS  68           HB1      LYS  68   8.848   7.683   6.233
  412    HG2  LYS  68           HG2      LYS  68   6.476   8.010   6.486
  413    HG3  LYS  68           HG1      LYS  68   6.482   6.942   7.889
  414    HD2  LYS  68           HD2      LYS  68   7.846   8.490   9.130
  415    HD3  LYS  68           HD1      LYS  68   8.026   9.520   7.709
  416    HE2  LYS  68           HE2      LYS  68   6.370  10.406   9.292
  417    HE3  LYS  68           HE1      LYS  68   5.656  10.017   7.730
  418    HZ1  LYS  68           HZ1      LYS  68   5.520   8.304  10.152
  419    HZ2  LYS  68           HZ2      LYS  68   4.807   7.964   8.658
  420    HZ3  LYS  68           HZ3      LYS  68   4.268   9.278   9.567
  421    H    LYS  69           HN       LYS  69   9.357   6.438   4.017
  422    HA   LYS  69           HA       LYS  69   7.224   7.619   2.518
  423    HB2  LYS  69           HB2      LYS  69  10.023   6.970   1.582
  424    HB3  LYS  69           HB1      LYS  69   8.913   8.136   0.877
  425    HG2  LYS  69           HG2      LYS  69   9.025   9.443   2.958
  426    HG3  LYS  69           HG1      LYS  69  10.218   8.304   3.575
  427    HD2  LYS  69           HD2      LYS  69  11.430  10.159   2.737
  428    HD3  LYS  69           HD1      LYS  69  11.617   8.867   1.549
  429    HE2  LYS  69           HE2      LYS  69  10.026   9.868   0.093
  430    HE3  LYS  69           HE1      LYS  69   9.522  11.017   1.329
  431    HZ1  LYS  69           HZ1      LYS  69  10.955  12.065  -0.288
  432    HZ2  LYS  69           HZ2      LYS  69  12.180  10.937   0.008
  433    HZ3  LYS  69           HZ3      LYS  69  11.722  12.025   1.218
  434    H    ALA  70           HN       ALA  70   8.823   4.548   2.665
  435    HA   ALA  70           HA       ALA  70   8.097   3.460   0.208
  436    HB1  ALA  70           HB1      ALA  70   8.295   2.033   2.859
  437    HB2  ALA  70           HB2      ALA  70   9.642   2.371   1.771
  438    HB3  ALA  70           HB3      ALA  70   8.350   1.281   1.265
  439    H    LYS  71           HN       LYS  71   6.375   3.015   3.320
  440    HA   LYS  71           HA       LYS  71   4.086   1.905   2.181
  441    HB2  LYS  71           HB2      LYS  71   3.117   1.980   4.286
  442    HB3  LYS  71           HB1      LYS  71   4.840   1.899   4.615
  443    HG2  LYS  71           HG2      LYS  71   4.927   4.229   5.100
  444    HG3  LYS  71           HG1      LYS  71   3.251   4.417   4.588
  445    HD2  LYS  71           HD2      LYS  71   2.521   2.971   6.421
  446    HD3  LYS  71           HD1      LYS  71   4.199   2.753   6.922
  447    HE2  LYS  71           HE2      LYS  71   4.375   5.150   7.362
  448    HE3  LYS  71           HE1      LYS  71   2.699   5.367   6.861
  449    HZ1  LYS  71           HZ1      LYS  71   2.012   3.942   8.695
  450    HZ2  LYS  71           HZ2      LYS  71   2.890   5.269   9.259
  451    HZ3  LYS  71           HZ3      LYS  71   3.624   3.749   9.173
  452    H    ASP  72           HN       ASP  72   4.761   5.250   3.108
  453    HA   ASP  72           HA       ASP  72   2.427   6.453   2.357
  454    HB2  ASP  72           HB2      ASP  72   5.231   7.340   2.486
  455    HB3  ASP  72           HB1      ASP  72   4.180   8.322   1.470
  456    H    SER  73           HN       SER  73   5.139   5.738   0.119
  457    HA   SER  73           HA       SER  73   3.885   6.992  -2.084
  458    HB2  SER  73           HB2      SER  73   5.607   5.783  -3.448
  459    HB3  SER  73           HB1      SER  73   6.272   6.711  -2.104
  460    HG   SER  73           HG       SER  73   6.653   4.863  -0.998
  461    H    ALA  74           HN       ALA  74   3.898   3.635  -0.962
  462    HA   ALA  74           HA       ALA  74   2.584   2.584  -3.269
  463    HB1  ALA  74           HB1      ALA  74   2.566   1.455  -0.476
  464    HB2  ALA  74           HB2      ALA  74   3.886   1.233  -1.625
  465    HB3  ALA  74           HB3      ALA  74   2.287   0.585  -1.986
  466    H    ALA  75           HN       ALA  75   1.506   3.667  -0.113
  467    HA   ALA  75           HA       ALA  75  -1.220   3.206  -0.255
  468    HB1  ALA  75           HB1      ALA  75  -1.495   5.022   1.344
  469    HB2  ALA  75           HB2      ALA  75   0.132   5.603   0.985
  470    HB3  ALA  75           HB3      ALA  75  -0.093   4.033   1.755
  471    H    VAL  76           HN       VAL  76   0.652   5.828  -1.748
  472    HA   VAL  76           HA       VAL  76  -1.506   7.456  -2.529
  473    HB   VAL  76           HB       VAL  76   1.207   7.112  -3.830
  474   HG11  VAL  76          HG11      VAL  76  -0.817   9.322  -4.172
  475   HG12  VAL  76          HG12      VAL  76  -0.386   8.114  -5.383
  476   HG13  VAL  76          HG13      VAL  76   0.810   9.297  -4.851
  477   HG21  VAL  76          HG21      VAL  76   0.208   9.153  -1.846
  478   HG22  VAL  76          HG22      VAL  76   1.800   9.147  -2.605
  479   HG23  VAL  76          HG23      VAL  76   1.340   7.844  -1.510
  480    H    LEU  77           HN       LEU  77   0.014   4.651  -4.007
  481    HA   LEU  77           HA       LEU  77  -1.444   4.836  -6.474
  482    HB2  LEU  77           HB2      LEU  77   0.024   2.497  -5.243
  483    HB3  LEU  77           HB1      LEU  77  -0.529   2.602  -6.898
  484    HG   LEU  77           HG       LEU  77   1.591   4.348  -5.653
  485   HD11  LEU  77          HD11      LEU  77   1.809   2.095  -7.645
  486   HD12  LEU  77          HD12      LEU  77   2.349   2.058  -5.967
  487   HD13  LEU  77          HD13      LEU  77   3.129   3.139  -7.120
  488   HD21  LEU  77          HD21      LEU  77   0.586   4.192  -8.492
  489   HD22  LEU  77          HD22      LEU  77   1.969   5.137  -7.941
  490   HD23  LEU  77          HD23      LEU  77   0.348   5.533  -7.372
  491    H    LEU  78           HN       LEU  78  -1.762   3.269  -3.399
  492    HA   LEU  78           HA       LEU  78  -3.882   1.510  -3.946
  493    HB2  LEU  78           HB2      LEU  78  -2.446   1.444  -1.955
  494    HB3  LEU  78           HB1      LEU  78  -3.157   2.945  -1.407
  495    HG   LEU  78           HG       LEU  78  -5.386   1.686  -1.439
  496   HD11  LEU  78          HD11      LEU  78  -4.531  -0.238  -2.730
  497   HD12  LEU  78          HD12      LEU  78  -5.266  -0.705  -1.200
  498   HD13  LEU  78          HD13      LEU  78  -3.513  -0.673  -1.358
  499   HD21  LEU  78          HD21      LEU  78  -3.127   1.370   0.492
  500   HD22  LEU  78          HD22      LEU  78  -4.675   0.572   0.804
  501   HD23  LEU  78          HD23      LEU  78  -4.604   2.327   0.637
  502    H    LEU  79           HN       LEU  79  -3.786   4.867  -2.886
  503    HA   LEU  79           HA       LEU  79  -6.520   5.266  -2.475
  504    HB2  LEU  79           HB2      LEU  79  -4.179   6.982  -2.991
  505    HB3  LEU  79           HB1      LEU  79  -5.731   7.691  -3.379
  506    HG   LEU  79           HG       LEU  79  -4.943   8.265  -1.106
  507   HD11  LEU  79          HD11      LEU  79  -7.431   6.562  -1.157
  508   HD12  LEU  79          HD12      LEU  79  -7.331   8.259  -1.626
  509   HD13  LEU  79          HD13      LEU  79  -7.031   7.788   0.046
  510   HD21  LEU  79          HD21      LEU  79  -5.306   5.323  -0.556
  511   HD22  LEU  79          HD22      LEU  79  -4.956   6.568   0.643
  512   HD23  LEU  79          HD23      LEU  79  -3.767   6.181  -0.602
  513    H    GLU  80           HN       GLU  80  -4.669   5.092  -5.430
  514    HA   GLU  80           HA       GLU  80  -6.690   6.152  -7.134
  515    HB2  GLU  80           HB2      GLU  80  -4.382   4.298  -7.733
  516    HB3  GLU  80           HB1      GLU  80  -5.314   5.209  -8.920
  517    HG2  GLU  80           HG2      GLU  80  -3.703   6.436  -6.699
  518    HG3  GLU  80           HG1      GLU  80  -3.140   6.235  -8.349
  519    H    LEU  81           HN       LEU  81  -5.840   2.960  -5.952
  520    HA   LEU  81           HA       LEU  81  -7.605   1.426  -7.522
  521    HB2  LEU  81           HB2      LEU  81  -5.695   0.855  -5.722
  522    HB3  LEU  81           HB1      LEU  81  -7.104   0.673  -4.703
  523    HG   LEU  81           HG       LEU  81  -6.613  -0.821  -7.265
  524   HD11  LEU  81          HD11      LEU  81  -5.073  -1.448  -5.457
  525   HD12  LEU  81          HD12      LEU  81  -6.194  -2.749  -5.860
  526   HD13  LEU  81          HD13      LEU  81  -6.456  -1.775  -4.412
  527   HD21  LEU  81          HD21      LEU  81  -8.770  -1.166  -5.184
  528   HD22  LEU  81          HD22      LEU  81  -8.516  -2.203  -6.589
  529   HD23  LEU  81          HD23      LEU  81  -8.995  -0.520  -6.810
  530    H    LEU  82           HN       LEU  82  -7.897   2.829  -4.288
  531    HA   LEU  82           HA       LEU  82 -10.637   2.215  -3.927
  532    HB2  LEU  82           HB2      LEU  82  -8.567   3.809  -2.550
  533    HB3  LEU  82           HB1      LEU  82 -10.228   4.265  -2.229
  534    HG   LEU  82           HG       LEU  82 -10.729   2.165  -1.286
  535   HD11  LEU  82          HD11      LEU  82  -9.194   0.268  -1.263
  536   HD12  LEU  82          HD12      LEU  82  -8.055   1.179  -2.256
  537   HD13  LEU  82          HD13      LEU  82  -9.631   0.728  -2.910
  538   HD21  LEU  82          HD21      LEU  82  -9.079   1.959   0.517
  539   HD22  LEU  82          HD22      LEU  82  -9.480   3.643   0.184
  540   HD23  LEU  82          HD23      LEU  82  -7.963   2.965  -0.404
  541    H    ASN  83           HN       ASN  83  -9.249   4.316  -6.047
  542    HA   ASN  83           HA       ASN  83 -11.394   6.305  -5.883
  543    HB2  ASN  83           HB2      ASN  83  -8.970   7.003  -6.162
  544    HB3  ASN  83           HB1      ASN  83  -9.025   6.274  -7.762
  545   HD21  ASN  83          HD21      ASN  83 -10.128   8.880  -5.758
  546   HD22  ASN  83          HD22      ASN  83 -10.725   9.881  -7.037
  547    H    LYS  84           HN       LYS  84 -10.592   3.433  -7.370
  548    HA   LYS  84           HA       LYS  84 -12.351   3.959  -9.665
  549    HB2  LYS  84           HB2      LYS  84 -10.057   2.018  -9.378
  550    HB3  LYS  84           HB1      LYS  84 -11.173   2.015 -10.739
  551    HG2  LYS  84           HG2      LYS  84  -9.549   4.410  -9.957
  552    HG3  LYS  84           HG1      LYS  84  -8.988   3.199 -11.114
  553    HD2  LYS  84           HD2      LYS  84 -10.947   3.649 -12.514
  554    HD3  LYS  84           HD1      LYS  84 -11.501   4.854 -11.352
  555    HE2  LYS  84           HE2      LYS  84  -8.904   4.964 -12.883
  556    HE3  LYS  84           HE1      LYS  84 -10.364   5.862 -13.289
  557    HZ1  LYS  84           HZ1      LYS  84 -10.211   7.003 -11.167
  558    HZ2  LYS  84           HZ2      LYS  84  -8.799   7.225 -12.066
  559    HZ3  LYS  84           HZ3      LYS  84  -8.811   6.138 -10.775
  560    H    THR  85           HN       THR  85 -13.495   3.404  -7.261
  561    HA   THR  85           HA       THR  85 -14.829   0.919  -7.834
  562    HB   THR  85           HB       THR  85 -13.018   0.106  -6.434
  563    HG1  THR  85           HG1      THR  85 -15.199  -0.743  -6.146
  564   HG21  THR  85          HG21      THR  85 -12.485   2.166  -5.248
  565   HG22  THR  85          HG22      THR  85 -12.761   0.842  -4.115
  566   HG23  THR  85          HG23      THR  85 -14.007   2.063  -4.367
  Start of MODEL   11
    1    H1   ASN  15           HT1      ASN  15  -5.781   6.087   3.578
    2    H2   ASN  15           HT2      ASN  15  -4.428   5.616   4.469
    3    H3   ASN  15           HT3      ASN  15  -5.214   7.065   4.834
    4    HA   ASN  15           HA       ASN  15  -6.304   4.328   5.169
    5    HB2  ASN  15           HB2      ASN  15  -6.271   4.879   7.570
    6    HB3  ASN  15           HB1      ASN  15  -4.655   4.975   6.882
    7   HD21  ASN  15          HD21      ASN  15  -5.737   6.222   9.284
    8   HD22  ASN  15          HD22      ASN  15  -5.499   7.924   9.084
    9    H    ASP  16           HN       ASP  16  -6.999   7.672   4.652
   10    HA   ASP  16           HA       ASP  16  -9.449   7.821   6.091
   11    HB2  ASP  16           HB2      ASP  16  -8.241   9.841   5.498
   12    HB3  ASP  16           HB1      ASP  16  -8.375   9.465   3.789
   13    H    ILE  17           HN       ILE  17  -8.643   7.308   2.687
   14    HA   ILE  17           HA       ILE  17 -11.267   7.103   1.737
   15    HB   ILE  17           HB       ILE  17  -8.714   5.947   0.619
   16   HG12  ILE  17          HG12      ILE  17  -9.080   7.773  -1.080
   17   HG13  ILE  17          HG11      ILE  17 -10.372   8.375  -0.060
   18   HG21  ILE  17          HG21      ILE  17 -11.421   6.102  -0.700
   19   HG22  ILE  17          HG22      ILE  17 -10.631   4.628  -0.145
   20   HG23  ILE  17          HG23      ILE  17  -9.922   5.565  -1.460
   21   HD11  ILE  17          HD11      ILE  17  -7.496   8.136   0.765
   22   HD12  ILE  17          HD12      ILE  17  -8.815   8.824   1.714
   23   HD13  ILE  17          HD13      ILE  17  -8.289   9.617   0.226
   24    H    CYS  18           HN       CYS  18  -9.045   4.704   3.042
   25    HA   CYS  18           HA       CYS  18 -10.596   2.407   2.438
   26    HB2  CYS  18           HB2      CYS  18  -8.461   2.907   4.528
   27    HB3  CYS  18           HB1      CYS  18  -9.077   1.321   4.106
   28    HG   CYS  18           HG       CYS  18  -7.937   1.133   1.680
   29    H    LEU  19           HN       LEU  19 -10.190   4.458   5.230
   30    HA   LEU  19           HA       LEU  19 -11.801   3.084   7.069
   31    HB2  LEU  19           HB2      LEU  19 -10.078   4.989   7.273
   32    HB3  LEU  19           HB1      LEU  19 -11.446   6.044   7.032
   33    HG   LEU  19           HG       LEU  19 -11.204   4.023   9.265
   34   HD11  LEU  19          HD11      LEU  19 -10.821   6.007  10.686
   35   HD12  LEU  19          HD12      LEU  19 -10.713   6.994   9.227
   36   HD13  LEU  19          HD13      LEU  19  -9.526   5.721   9.522
   37   HD21  LEU  19          HD21      LEU  19 -13.505   4.570   8.628
   38   HD22  LEU  19          HD22      LEU  19 -13.157   6.285   8.861
   39   HD23  LEU  19          HD23      LEU  19 -13.100   5.178  10.235
   40    H    ARG  20           HN       ARG  20 -12.491   5.748   4.840
   41    HA   ARG  20           HA       ARG  20 -15.118   6.286   5.628
   42    HB2  ARG  20           HB2      ARG  20 -13.916   7.834   4.262
   43    HB3  ARG  20           HB1      ARG  20 -13.676   6.636   3.005
   44    HG2  ARG  20           HG2      ARG  20 -16.064   6.634   2.532
   45    HG3  ARG  20           HG1      ARG  20 -16.320   7.829   3.804
   46    HD2  ARG  20           HD2      ARG  20 -16.226   8.764   1.485
   47    HD3  ARG  20           HD1      ARG  20 -15.084   9.472   2.624
   48    HE   ARG  20           HE       ARG  20 -13.336   8.566   1.436
   49   HH11  ARG  20          HH11      ARG  20 -16.356   7.286   0.205
   50   HH12  ARG  20          HH12      ARG  20 -15.646   6.663  -1.249
   51   HH21  ARG  20          HH21      ARG  20 -12.407   7.768  -0.483
   52   HH22  ARG  20          HH22      ARG  20 -13.392   6.932  -1.639
   53    H    LYS  21           HN       LYS  21 -13.811   3.979   3.354
   54    HA   LYS  21           HA       LYS  21 -16.289   3.297   2.133
   55    HB2  LYS  21           HB2      LYS  21 -13.546   2.078   2.140
   56    HB3  LYS  21           HB1      LYS  21 -14.889   1.332   1.274
   57    HG2  LYS  21           HG2      LYS  21 -13.877   4.134   0.835
   58    HG3  LYS  21           HG1      LYS  21 -13.488   2.736  -0.172
   59    HD2  LYS  21           HD2      LYS  21 -16.330   3.481   0.352
   60    HD3  LYS  21           HD1      LYS  21 -15.407   4.321  -0.880
   61    HE2  LYS  21           HE2      LYS  21 -14.954   2.214  -2.003
   62    HE3  LYS  21           HE1      LYS  21 -15.815   1.341  -0.738
   63    HZ1  LYS  21           HZ1      LYS  21 -17.175   1.676  -2.717
   64    HZ2  LYS  21           HZ2      LYS  21 -17.029   3.350  -2.554
   65    HZ3  LYS  21           HZ3      LYS  21 -17.844   2.455  -1.375
   66    H    ASN  22           HN       ASN  22 -15.296   2.759   5.146
   67    HA   ASN  22           HA       ASN  22 -15.858   1.398   6.858
   68    HB2  ASN  22           HB2      ASN  22 -18.164   1.769   5.959
   69    HB3  ASN  22           HB1      ASN  22 -17.989   0.298   5.013
   70   HD21  ASN  22          HD21      ASN  22 -18.266   1.614   8.239
   71   HD22  ASN  22          HD22      ASN  22 -18.726   0.135   9.008
   72    H    TRP  23           HN       TRP  23 -13.716   0.636   5.549
   73    HA   TRP  23           HA       TRP  23 -13.919  -2.301   5.413
   74    HB2  TRP  23           HB2      TRP  23 -11.825  -0.427   4.285
   75    HB3  TRP  23           HB1      TRP  23 -11.713  -2.178   4.245
   76    HD1  TRP  23           HD1      TRP  23 -14.944  -2.445   3.341
   77    HE1  TRP  23           HE1      TRP  23 -15.436  -2.033   0.833
   78    HE3  TRP  23           HE3      TRP  23 -10.726   0.133   2.120
   79    HZ2  TRP  23           HZ2      TRP  23 -14.152  -0.798  -1.375
   80    HZ3  TRP  23           HZ3      TRP  23 -10.420   0.884  -0.185
   81    HH2  TRP  23           HH2      TRP  23 -12.101   0.439  -1.903
   82    HA   PRO  24           HA       PRO  24 -10.970  -2.307   8.851
   83    HB2  PRO  24           HB2      PRO  24  -9.543  -4.523   8.368
   84    HB3  PRO  24           HB1      PRO  24 -11.228  -4.621   8.900
   85    HG2  PRO  24           HG2      PRO  24 -10.093  -4.844   6.148
   86    HG3  PRO  24           HG1      PRO  24 -11.319  -5.859   6.929
   87    HD2  PRO  24           HD2      PRO  24 -11.939  -3.856   5.190
   88    HD3  PRO  24           HD1      PRO  24 -13.012  -4.337   6.518
   89    H    MET  25           HN       MET  25  -8.584  -2.119   9.159
   90    HA   MET  25           HA       MET  25  -7.606  -0.352   7.147
   91    HB2  MET  25           HB2      MET  25  -6.108  -1.338   9.564
   92    HB3  MET  25           HB1      MET  25  -5.884   0.176   8.695
   93    HG2  MET  25           HG2      MET  25  -8.251  -0.598  10.369
   94    HG3  MET  25           HG1      MET  25  -7.024   0.572  10.780
   95    HE1  MET  25           HE1      MET  25  -6.682   2.154   7.963
   96    HE2  MET  25           HE2      MET  25  -6.687   2.789   9.605
   97    HE3  MET  25           HE3      MET  25  -7.748   3.500   8.383
   98    HA   PRO  26           HA       PRO  26  -5.760  -3.245   4.463
   99    HB2  PRO  26           HB2      PRO  26  -3.620  -1.529   3.772
  100    HB3  PRO  26           HB1      PRO  26  -5.125  -1.786   2.891
  101    HG2  PRO  26           HG2      PRO  26  -4.347   0.414   4.682
  102    HG3  PRO  26           HG1      PRO  26  -5.563   0.386   3.399
  103    HD2  PRO  26           HD2      PRO  26  -6.184   0.425   6.039
  104    HD3  PRO  26           HD1      PRO  26  -7.216  -0.333   4.812
  105    H    SER  27           HN       SER  27  -3.867  -4.376   3.990
  106    HA   SER  27           HA       SER  27  -2.146  -4.914   6.249
  107    HB2  SER  27           HB2      SER  27  -3.039  -6.694   4.722
  108    HB3  SER  27           HB1      SER  27  -2.068  -6.005   3.429
  109    HG   SER  27           HG       SER  27  -1.253  -7.411   5.723
  110    H    TYR  28           HN       TYR  28   0.119  -4.565   6.285
  111    HA   TYR  28           HA       TYR  28   1.233  -2.981   4.136
  112    HB2  TYR  28           HB2      TYR  28   1.040  -2.068   6.999
  113    HB3  TYR  28           HB1      TYR  28   2.264  -1.444   5.905
  114    HD1  TYR  28           HD2      TYR  28  -1.313  -1.462   6.724
  115    HD2  TYR  28           HD1      TYR  28   1.660   0.071   4.099
  116    HE1  TYR  28           HE2      TYR  28  -2.875   0.275   5.976
  117    HE2  TYR  28           HE1      TYR  28   0.109   1.815   3.345
  118    HH   TYR  28           HH       TYR  28  -2.352   2.165   3.230
  119    H    ARG  29           HN       ARG  29   3.028  -4.141   3.608
  120    HA   ARG  29           HA       ARG  29   4.844  -5.008   5.678
  121    HB2  ARG  29           HB2      ARG  29   3.224  -6.868   5.496
  122    HB3  ARG  29           HB1      ARG  29   3.576  -6.979   3.781
  123    HG2  ARG  29           HG2      ARG  29   5.952  -7.474   4.384
  124    HG3  ARG  29           HG1      ARG  29   5.430  -7.571   6.067
  125    HD2  ARG  29           HD2      ARG  29   4.457  -9.267   3.781
  126    HD3  ARG  29           HD1      ARG  29   5.510  -9.786   5.093
  127    HE   ARG  29           HE       ARG  29   3.325  -8.921   6.407
  128   HH11  ARG  29          HH11      ARG  29   3.743 -11.114   3.714
  129   HH12  ARG  29          HH12      ARG  29   2.343 -12.061   4.102
  130   HH21  ARG  29          HH21      ARG  29   1.478 -10.153   6.920
  131   HH22  ARG  29          HH22      ARG  29   1.052 -11.514   5.928
  132    H    CYS  30           HN       CYS  30   6.851  -4.591   4.953
  133    HA   CYS  30           HA       CYS  30   7.314  -3.726   2.297
  134    HB2  CYS  30           HB2      CYS  30   9.303  -4.517   4.433
  135    HB3  CYS  30           HB1      CYS  30   9.686  -3.639   2.956
  136    HG   CYS  30           HG       CYS  30   9.483  -2.127   5.520
  137    H    VAL  31           HN       VAL  31   7.768  -4.835   0.533
  138    HA   VAL  31           HA       VAL  31   7.925  -7.718   0.727
  139    HB   VAL  31           HB       VAL  31   7.748  -7.716  -1.710
  140   HG11  VAL  31          HG11      VAL  31   5.482  -6.755  -1.866
  141   HG12  VAL  31          HG12      VAL  31   5.751  -5.939  -0.326
  142   HG13  VAL  31          HG13      VAL  31   5.715  -7.701  -0.394
  143   HG21  VAL  31          HG21      VAL  31   8.972  -5.672  -2.215
  144   HG22  VAL  31          HG22      VAL  31   7.677  -4.714  -1.497
  145   HG23  VAL  31          HG23      VAL  31   7.373  -5.655  -2.957
  146    H    LYS  32           HN       LYS  32   9.949  -5.022  -0.241
  147    HA   LYS  32           HA       LYS  32  12.257  -6.806  -0.118
  148    HB2  LYS  32           HB2      LYS  32  11.564  -6.428  -2.526
  149    HB3  LYS  32           HB1      LYS  32  11.936  -4.735  -2.284
  150    HG2  LYS  32           HG2      LYS  32  13.810  -5.718  -3.315
  151    HG3  LYS  32           HG1      LYS  32  14.228  -5.427  -1.637
  152    HD2  LYS  32           HD2      LYS  32  13.795  -7.764  -1.102
  153    HD3  LYS  32           HD1      LYS  32  13.345  -8.066  -2.781
  154    HE2  LYS  32           HE2      LYS  32  15.609  -7.421  -3.483
  155    HE3  LYS  32           HE1      LYS  32  16.049  -7.168  -1.795
  156    HZ1  LYS  32           HZ1      LYS  32  15.236  -9.739  -3.035
  157    HZ2  LYS  32           HZ2      LYS  32  15.540  -9.521  -1.388
  158    HZ3  LYS  32           HZ3      LYS  32  16.788  -9.322  -2.512
  159    H    GLU  33           HN       GLU  33  13.729  -5.958   1.189
  160    HA   GLU  33           HA       GLU  33  14.263  -3.099   1.142
  161    HB2  GLU  33           HB2      GLU  33  13.893  -2.672   3.422
  162    HB3  GLU  33           HB1      GLU  33  12.499  -3.633   2.949
  163    HG2  GLU  33           HG2      GLU  33  13.784  -5.642   3.815
  164    HG3  GLU  33           HG1      GLU  33  14.898  -4.474   4.531
  165    H    GLY  34           HN       GLY  34  16.347  -2.554   2.052
  166    HA2  GLY  34           HA2      GLY  34  18.527  -2.937   2.641
  167    HA3  GLY  34           HA1      GLY  34  18.000  -4.471   3.312
  168    H    GLY  35           HN       GLY  35  20.226  -4.959   2.455
  169    HA2  GLY  35           HA2      GLY  35  20.330  -6.804   0.523
  170    HA3  GLY  35           HA1      GLY  35  20.408  -5.322  -0.419
  171    HA   PRO  36           HA       PRO  36  24.793  -6.106   0.622
  172    HB2  PRO  36           HB2      PRO  36  25.285  -4.762  -1.923
  173    HB3  PRO  36           HB1      PRO  36  25.725  -6.395  -1.426
  174    HG2  PRO  36           HG2      PRO  36  23.833  -5.904  -3.293
  175    HG3  PRO  36           HG1      PRO  36  23.769  -7.306  -2.214
  176    HD2  PRO  36           HD2      PRO  36  22.291  -4.709  -2.032
  177    HD3  PRO  36           HD1      PRO  36  21.703  -6.360  -1.738
  178    H    ALA  37           HN       ALA  37  23.478  -4.104   1.899
  179    HA   ALA  37           HA       ALA  37  23.848  -2.159   2.987
  180    HB1  ALA  37           HB1      ALA  37  26.438  -2.006   1.467
  181    HB2  ALA  37           HB2      ALA  37  26.197  -2.843   2.999
  182    HB3  ALA  37           HB3      ALA  37  26.011  -1.092   2.912
  183    H    HIS  38           HN       HIS  38  25.021  -1.675  -0.350
  184    HA   HIS  38           HA       HIS  38  23.970   1.000  -0.427
  185    HB2  HIS  38           HB2      HIS  38  24.777   1.039  -2.748
  186    HB3  HIS  38           HB1      HIS  38  26.015   0.449  -1.650
  187    HD1  HIS  38           HD1      HIS  38  27.069  -1.746  -2.223
  188    HD2  HIS  38           HD2      HIS  38  23.523  -1.106  -4.304
  189    HE1  HIS  38           HE1      HIS  38  26.911  -3.620  -3.893
  190    HE2  HIS  38           HE2      HIS  38  24.807  -3.164  -5.200
  191    H    ALA  39           HN       ALA  39  22.173  -1.454  -0.148
  192    HA   ALA  39           HA       ALA  39  20.306  -0.702  -2.295
  193    HB1  ALA  39           HB1      ALA  39  19.461  -2.991  -2.301
  194    HB2  ALA  39           HB2      ALA  39  20.645  -3.438  -1.075
  195    HB3  ALA  39           HB3      ALA  39  21.182  -2.950  -2.682
  196    H    LYS  40           HN       LYS  40  20.354   0.688   0.036
  197    HA   LYS  40           HA       LYS  40  18.538  -0.459   1.961
  198    HB2  LYS  40           HB2      LYS  40  20.522   1.425   2.122
  199    HB3  LYS  40           HB1      LYS  40  19.062   2.397   2.161
  200    HG2  LYS  40           HG2      LYS  40  19.766   1.880   4.402
  201    HG3  LYS  40           HG1      LYS  40  18.236   1.082   4.049
  202    HD2  LYS  40           HD2      LYS  40  19.281  -1.022   3.805
  203    HD3  LYS  40           HD1      LYS  40  20.890  -0.299   3.744
  204    HE2  LYS  40           HE2      LYS  40  20.439  -1.373   5.899
  205    HE3  LYS  40           HE1      LYS  40  20.710   0.358   6.072
  206    HZ1  LYS  40           HZ1      LYS  40  18.321   0.674   6.227
  207    HZ2  LYS  40           HZ2      LYS  40  18.858  -0.397   7.419
  208    HZ3  LYS  40           HZ3      LYS  40  18.065  -0.988   6.050
  209    H    ARG  41           HN       ARG  41  17.796   0.252  -0.908
  210    HA   ARG  41           HA       ARG  41  15.636   2.133  -0.493
  211    HB2  ARG  41           HB2      ARG  41  15.048   1.000  -2.878
  212    HB3  ARG  41           HB1      ARG  41  16.131   2.368  -2.692
  213    HG2  ARG  41           HG2      ARG  41  18.049   0.988  -2.869
  214    HG3  ARG  41           HG1      ARG  41  17.090  -0.481  -2.687
  215    HD2  ARG  41           HD2      ARG  41  16.737   1.426  -4.988
  216    HD3  ARG  41           HD1      ARG  41  17.866   0.072  -5.033
  217    HE   ARG  41           HE       ARG  41  15.550  -1.108  -4.314
  218   HH11  ARG  41          HH11      ARG  41  16.344   1.104  -6.901
  219   HH12  ARG  41          HH12      ARG  41  15.205   0.417  -8.014
  220   HH21  ARG  41          HH21      ARG  41  14.053  -2.032  -5.776
  221   HH22  ARG  41          HH22      ARG  41  13.900  -1.369  -7.372
  222    H    PHE  42           HN       PHE  42  13.569   1.614  -0.181
  223    HA   PHE  42           HA       PHE  42  13.056  -1.223   0.387
  224    HB2  PHE  42           HB2      PHE  42  11.635   1.115   1.662
  225    HB3  PHE  42           HB1      PHE  42  11.646  -0.564   2.191
  226    HD1  PHE  42           HD1      PHE  42  14.484  -1.249   2.177
  227    HD2  PHE  42           HD2      PHE  42  12.563   2.362   3.350
  228    HE1  PHE  42           HE1      PHE  42  16.367  -0.748   3.692
  229    HE2  PHE  42           HE2      PHE  42  14.435   2.866   4.866
  230    HZ   PHE  42           HZ       PHE  42  16.333   1.311   5.040
  231    H    THR  43           HN       THR  43  11.394  -2.185  -0.533
  232    HA   THR  43           HA       THR  43   9.514  -0.561  -2.121
  233    HB   THR  43           HB       THR  43  10.432  -3.382  -2.769
  234    HG1  THR  43           HG1      THR  43  12.033  -1.513  -2.937
  235   HG21  THR  43          HG21      THR  43   9.439  -2.908  -4.963
  236   HG22  THR  43          HG22      THR  43   8.940  -1.314  -4.397
  237   HG23  THR  43          HG23      THR  43   8.243  -2.764  -3.675
  238    H    PHE  44           HN       PHE  44   7.316  -0.967  -1.612
  239    HA   PHE  44           HA       PHE  44   6.770  -3.325  -0.001
  240    HB2  PHE  44           HB2      PHE  44   6.841  -1.958   1.826
  241    HB3  PHE  44           HB1      PHE  44   6.740  -0.498   0.850
  242    HD1  PHE  44           HD2      PHE  44   4.669  -3.291   2.153
  243    HD2  PHE  44           HD1      PHE  44   4.817   0.738   0.820
  244    HE1  PHE  44           HE2      PHE  44   2.315  -2.999   2.784
  245    HE2  PHE  44           HE1      PHE  44   2.470   1.037   1.470
  246    HZ   PHE  44           HZ       PHE  44   1.226  -0.828   2.458
  247    H    GLY  45           HN       GLY  45   4.514  -3.929  -0.060
  248    HA2  GLY  45           HA2      GLY  45   2.927  -2.513  -2.104
  249    HA3  GLY  45           HA1      GLY  45   3.040  -4.267  -2.086
  250    H    VAL  46           HN       VAL  46   0.778  -2.242  -1.652
  251    HA   VAL  46           HA       VAL  46  -0.050  -3.050   1.070
  252    HB   VAL  46           HB       VAL  46  -1.765  -1.167  -0.407
  253   HG11  VAL  46          HG11      VAL  46  -0.635  -1.261   2.375
  254   HG12  VAL  46          HG12      VAL  46  -2.262  -1.696   1.857
  255   HG13  VAL  46          HG13      VAL  46  -1.735  -0.014   1.792
  256   HG21  VAL  46          HG21      VAL  46  -0.340   0.784   0.039
  257   HG22  VAL  46          HG22      VAL  46   0.333  -0.300  -1.177
  258   HG23  VAL  46          HG23      VAL  46   0.980  -0.305   0.463
  259    H    ARG  47           HN       ARG  47  -2.272  -3.776   1.356
  260    HA   ARG  47           HA       ARG  47  -3.818  -4.282  -1.024
  261    HB2  ARG  47           HB2      ARG  47  -4.277  -6.637  -0.259
  262    HB3  ARG  47           HB1      ARG  47  -2.642  -6.380  -0.853
  263    HG2  ARG  47           HG2      ARG  47  -1.899  -6.158   1.517
  264    HG3  ARG  47           HG1      ARG  47  -3.529  -6.598   2.011
  265    HD2  ARG  47           HD2      ARG  47  -3.318  -8.738   0.891
  266    HD3  ARG  47           HD1      ARG  47  -1.711  -8.298   0.310
  267    HE   ARG  47           HE       ARG  47  -1.392  -8.045   2.944
  268   HH11  ARG  47          HH11      ARG  47  -2.853 -10.608   1.063
  269   HH12  ARG  47          HH12      ARG  47  -2.472 -11.845   2.217
  270   HH21  ARG  47          HH21      ARG  47  -0.894  -9.666   4.465
  271   HH22  ARG  47          HH22      ARG  47  -1.344 -11.311   4.148
  272    H    VAL  48           HN       VAL  48  -5.997  -4.237  -0.583
  273    HA   VAL  48           HA       VAL  48  -6.713  -3.529   2.205
  274    HB   VAL  48           HB       VAL  48  -8.025  -2.543  -0.323
  275   HG11  VAL  48          HG11      VAL  48  -8.375  -1.728   2.552
  276   HG12  VAL  48          HG12      VAL  48  -9.555  -2.554   1.532
  277   HG13  VAL  48          HG13      VAL  48  -9.089  -0.892   1.173
  278   HG21  VAL  48          HG21      VAL  48  -5.730  -1.681  -0.083
  279   HG22  VAL  48          HG22      VAL  48  -6.171  -1.026   1.493
  280   HG23  VAL  48          HG23      VAL  48  -6.953  -0.419   0.038
  281    H    ASN  49           HN       ASN  49  -8.880  -4.141   2.896
  282    HA   ASN  49           HA       ASN  49  -9.813  -6.550   1.526
  283    HB2  ASN  49           HB2      ASN  49  -9.374  -6.618   4.008
  284    HB3  ASN  49           HB1      ASN  49 -10.724  -5.504   4.212
  285   HD21  ASN  49          HD21      ASN  49 -12.835  -6.233   3.805
  286   HD22  ASN  49          HD22      ASN  49 -13.209  -7.920   3.697
  287    H    THR  50           HN       THR  50 -10.695  -5.487  -0.135
  288    HA   THR  50           HA       THR  50 -12.781  -3.526   0.116
  289    HB   THR  50           HB       THR  50 -13.362  -4.042  -2.264
  290    HG1  THR  50           HG1      THR  50 -11.212  -5.907  -1.973
  291   HG21  THR  50          HG21      THR  50 -10.470  -3.491  -1.613
  292   HG22  THR  50          HG22      THR  50 -11.768  -2.307  -1.765
  293   HG23  THR  50          HG23      THR  50 -11.218  -3.202  -3.183
  294    H    SER  51           HN       SER  51 -14.685  -3.846   0.954
  295    HA   SER  51           HA       SER  51 -15.533  -6.250   1.980
  296    HB2  SER  51           HB2      SER  51 -16.316  -4.035   2.729
  297    HB3  SER  51           HB1      SER  51 -17.276  -3.888   1.259
  298    HG   SER  51           HG       SER  51 -18.465  -5.716   1.924
  299    H    ASP  52           HN       ASP  52 -16.067  -5.035  -1.251
  300    HA   ASP  52           HA       ASP  52 -18.115  -7.080  -1.684
  301    HB2  ASP  52           HB2      ASP  52 -18.764  -5.900  -3.635
  302    HB3  ASP  52           HB1      ASP  52 -18.545  -4.707  -2.363
  303    H    ARG  53           HN       ARG  53 -14.785  -6.845  -2.028
  304    HA   ARG  53           HA       ARG  53 -14.852  -8.900  -4.141
  305    HB2  ARG  53           HB2      ARG  53 -12.648  -6.864  -3.848
  306    HB3  ARG  53           HB1      ARG  53 -12.845  -8.048  -5.130
  307    HG2  ARG  53           HG2      ARG  53 -14.836  -6.896  -5.905
  308    HG3  ARG  53           HG1      ARG  53 -14.657  -5.710  -4.608
  309    HD2  ARG  53           HD2      ARG  53 -12.330  -5.277  -5.549
  310    HD3  ARG  53           HD1      ARG  53 -12.858  -6.181  -6.967
  311    HE   ARG  53           HE       ARG  53 -14.628  -4.043  -6.201
  312   HH11  ARG  53          HH11      ARG  53 -11.830  -4.939  -8.099
  313   HH12  ARG  53          HH12      ARG  53 -11.960  -3.576  -9.164
  314   HH21  ARG  53          HH21      ARG  53 -14.802  -2.249  -7.588
  315   HH22  ARG  53          HH22      ARG  53 -13.659  -2.047  -8.878
  316    H    GLY  54           HN       GLY  54 -12.918  -7.430  -1.581
  317    HA2  GLY  54           HA2      GLY  54 -12.098  -8.946   0.192
  318    HA3  GLY  54           HA1      GLY  54 -11.640 -10.033  -1.100
  319    H    TRP  55           HN       TRP  55  -9.514 -10.044  -0.289
  320    HA   TRP  55           HA       TRP  55  -7.854  -7.840  -0.009
  321    HB2  TRP  55           HB2      TRP  55  -7.403 -10.708  -0.647
  322    HB3  TRP  55           HB1      TRP  55  -6.070  -9.598  -0.930
  323    HD1  TRP  55           HD1      TRP  55  -6.799 -11.933   1.518
  324    HE1  TRP  55           HE1      TRP  55  -6.049 -11.245   3.881
  325    HE3  TRP  55           HE3      TRP  55  -6.320  -6.908   0.783
  326    HZ2  TRP  55           HZ2      TRP  55  -5.339  -8.868   5.241
  327    HZ3  TRP  55           HZ3      TRP  55  -5.610  -5.500   2.663
  328    HH2  TRP  55           HH2      TRP  55  -5.140  -6.454   4.851
  329    H    THR  56           HN       THR  56  -7.293  -6.316  -1.362
  330    HA   THR  56           HA       THR  56  -7.720  -6.458  -4.177
  331    HB   THR  56           HB       THR  56  -6.563  -4.271  -4.252
  332    HG1  THR  56           HG1      THR  56  -5.061  -4.200  -2.717
  333   HG21  THR  56          HG21      THR  56  -8.149  -3.033  -2.858
  334   HG22  THR  56          HG22      THR  56  -8.561  -4.520  -2.005
  335   HG23  THR  56          HG23      THR  56  -8.947  -4.351  -3.718
  336    H    ASP  57           HN       ASP  57  -6.048  -6.164  -5.817
  337    HA   ASP  57           HA       ASP  57  -3.845  -7.904  -5.555
  338    HB2  ASP  57           HB2      ASP  57  -3.062  -7.001  -7.695
  339    HB3  ASP  57           HB1      ASP  57  -4.783  -7.341  -7.754
  340    H    GLU  58           HN       GLU  58  -1.822  -7.604  -4.897
  341    HA   GLU  58           HA       GLU  58  -1.283  -5.596  -3.063
  342    HB2  GLU  58           HB2      GLU  58  -0.140  -7.802  -3.154
  343    HB3  GLU  58           HB1      GLU  58   0.763  -7.225  -4.542
  344    HG2  GLU  58           HG2      GLU  58   1.886  -5.593  -3.253
  345    HG3  GLU  58           HG1      GLU  58   0.828  -5.867  -1.870
  346    H    CYS  59           HN       CYS  59  -0.891  -3.587  -3.319
  347    HA   CYS  59           HA       CYS  59  -0.077  -2.553  -5.922
  348    HB2  CYS  59           HB2      CYS  59  -0.966  -1.028  -3.464
  349    HB3  CYS  59           HB1      CYS  59  -0.842  -0.409  -5.109
  350    HG   CYS  59           HG       CYS  59  -2.858  -3.056  -4.887
  351    H    ILE  60           HN       ILE  60   2.083  -2.846  -6.050
  352    HA   ILE  60           HA       ILE  60   3.891  -2.241  -3.927
  353    HB   ILE  60           HB       ILE  60   4.317  -2.757  -6.872
  354   HG12  ILE  60          HG12      ILE  60   3.429  -4.644  -5.512
  355   HG13  ILE  60          HG11      ILE  60   5.008  -4.961  -6.224
  356   HG21  ILE  60          HG21      ILE  60   6.680  -3.064  -6.345
  357   HG22  ILE  60          HG22      ILE  60   6.368  -2.530  -4.694
  358   HG23  ILE  60          HG23      ILE  60   6.138  -1.416  -6.040
  359   HD11  ILE  60          HD11      ILE  60   6.070  -4.484  -4.106
  360   HD12  ILE  60          HD12      ILE  60   4.867  -5.763  -3.937
  361   HD13  ILE  60          HD13      ILE  60   4.504  -4.128  -3.388
  362    H    GLY  61           HN       GLY  61   4.577  -0.307  -3.358
  363    HA2  GLY  61           HA2      GLY  61   4.111   2.006  -5.042
  364    HA3  GLY  61           HA1      GLY  61   4.765   2.014  -3.410
  365    H    GLU  62           HN       GLU  62   6.229   3.635  -4.405
  366    HA   GLU  62           HA       GLU  62   8.208   2.573  -6.251
  367    HB2  GLU  62           HB2      GLU  62   7.952   5.318  -5.011
  368    HB3  GLU  62           HB1      GLU  62   9.069   4.869  -6.291
  369    HG2  GLU  62           HG2      GLU  62   7.076   4.289  -7.695
  370    HG3  GLU  62           HG1      GLU  62   6.072   5.006  -6.435
  371    HA   PRO  63           HA       PRO  63  11.136   1.359  -3.114
  372    HB2  PRO  63           HB2      PRO  63  13.102   2.343  -5.126
  373    HB3  PRO  63           HB1      PRO  63  13.031   0.788  -4.291
  374    HG2  PRO  63           HG2      PRO  63  12.307   0.990  -6.844
  375    HG3  PRO  63           HG1      PRO  63  11.418  -0.059  -5.725
  376    HD2  PRO  63           HD2      PRO  63  10.671   2.616  -6.815
  377    HD3  PRO  63           HD1      PRO  63   9.643   1.214  -6.454
  378    H    MET  64           HN       MET  64  11.450   2.620  -1.397
  379    HA   MET  64           HA       MET  64  12.254   5.419  -1.823
  380    HB2  MET  64           HB2      MET  64  10.426   4.126   0.184
  381    HB3  MET  64           HB1      MET  64  11.129   5.711   0.467
  382    HG2  MET  64           HG2      MET  64   9.409   4.968  -1.886
  383    HG3  MET  64           HG1      MET  64   8.860   5.826  -0.447
  384    HE1  MET  64           HE1      MET  64   8.245   7.046  -3.175
  385    HE2  MET  64           HE2      MET  64   8.791   8.716  -3.018
  386    HE3  MET  64           HE3      MET  64   7.947   7.935  -1.679
  387    HA   PRO  65           HA       PRO  65  15.720   4.573   0.817
  388    HB2  PRO  65           HB2      PRO  65  16.430   7.051   1.514
  389    HB3  PRO  65           HB1      PRO  65  16.541   6.510  -0.166
  390    HG2  PRO  65           HG2      PRO  65  14.420   8.166   1.152
  391    HG3  PRO  65           HG1      PRO  65  15.204   8.404  -0.420
  392    HD2  PRO  65           HD2      PRO  65  12.745   7.227  -0.105
  393    HD3  PRO  65           HD1      PRO  65  13.834   6.895  -1.466
  394    H    SER  66           HN       SER  66  12.771   5.222   2.059
  395    HA   SER  66           HA       SER  66  13.649   4.795   4.768
  396    HB2  SER  66           HB2      SER  66  13.710   7.254   4.626
  397    HB3  SER  66           HB1      SER  66  12.056   7.267   4.017
  398    HG   SER  66           HG       SER  66  12.974   6.502   6.591
  399    H    VAL  67           HN       VAL  67  12.074   3.780   5.979
  400    HA   VAL  67           HA       VAL  67  10.199   2.304   4.432
  401    HB   VAL  67           HB       VAL  67   9.522   1.246   6.531
  402   HG11  VAL  67          HG11      VAL  67  11.500   0.412   5.420
  403   HG12  VAL  67          HG12      VAL  67  11.698   0.309   7.169
  404   HG13  VAL  67          HG13      VAL  67  12.501   1.592   6.264
  405   HG21  VAL  67          HG21      VAL  67   9.567   3.176   8.003
  406   HG22  VAL  67          HG22      VAL  67  11.321   3.273   7.855
  407   HG23  VAL  67          HG23      VAL  67  10.580   1.886   8.653
  408    H    LYS  68           HN       LYS  68   9.959   5.272   6.150
  409    HA   LYS  68           HA       LYS  68   7.179   5.044   6.817
  410    HB2  LYS  68           HB2      LYS  68   8.956   7.489   6.728
  411    HB3  LYS  68           HB1      LYS  68   7.378   7.387   7.496
  412    HG2  LYS  68           HG2      LYS  68   9.829   5.834   8.302
  413    HG3  LYS  68           HG1      LYS  68   9.182   7.251   9.130
  414    HD2  LYS  68           HD2      LYS  68   7.120   6.033   9.612
  415    HD3  LYS  68           HD1      LYS  68   7.747   4.622   8.758
  416    HE2  LYS  68           HE2      LYS  68   8.010   4.346  11.157
  417    HE3  LYS  68           HE1      LYS  68   9.581   4.465  10.370
  418    HZ1  LYS  68           HZ1      LYS  68   8.192   6.669  11.793
  419    HZ2  LYS  68           HZ2      LYS  68   9.706   6.775  11.048
  420    HZ3  LYS  68           HZ3      LYS  68   9.496   5.776  12.392
  421    H    LYS  69           HN       LYS  69   9.063   6.655   4.298
  422    HA   LYS  69           HA       LYS  69   6.676   7.675   3.041
  423    HB2  LYS  69           HB2      LYS  69   8.175   8.584   1.330
  424    HB3  LYS  69           HB1      LYS  69   8.655   9.060   2.954
  425    HG2  LYS  69           HG2      LYS  69  10.297   7.146   2.868
  426    HG3  LYS  69           HG1      LYS  69   9.928   7.045   1.149
  427    HD2  LYS  69           HD2      LYS  69  10.990   9.486   2.567
  428    HD3  LYS  69           HD1      LYS  69  11.952   8.377   1.597
  429    HE2  LYS  69           HE2      LYS  69  11.521  10.150   0.150
  430    HE3  LYS  69           HE1      LYS  69  10.328   8.943  -0.307
  431    HZ1  LYS  69           HZ1      LYS  69   9.773  11.220   1.515
  432    HZ2  LYS  69           HZ2      LYS  69   8.644  10.140   0.869
  433    HZ3  LYS  69           HZ3      LYS  69   9.445  11.228  -0.142
  434    H    ALA  70           HN       ALA  70   8.596   4.841   2.918
  435    HA   ALA  70           HA       ALA  70   8.022   3.864   0.384
  436    HB1  ALA  70           HB1      ALA  70   8.353   1.641   1.324
  437    HB2  ALA  70           HB2      ALA  70   8.204   2.298   2.954
  438    HB3  ALA  70           HB3      ALA  70   9.565   2.768   1.937
  439    H    LYS  71           HN       LYS  71   6.236   3.159   3.395
  440    HA   LYS  71           HA       LYS  71   3.979   1.990   2.352
  441    HB2  LYS  71           HB2      LYS  71   4.145   3.892   4.700
  442    HB3  LYS  71           HB1      LYS  71   2.816   2.790   4.381
  443    HG2  LYS  71           HG2      LYS  71   4.196   0.887   4.794
  444    HG3  LYS  71           HG1      LYS  71   5.646   1.892   4.870
  445    HD2  LYS  71           HD2      LYS  71   4.772   3.011   6.863
  446    HD3  LYS  71           HD1      LYS  71   3.312   2.027   6.780
  447    HE2  LYS  71           HE2      LYS  71   6.083   0.889   7.081
  448    HE3  LYS  71           HE1      LYS  71   5.023   1.253   8.440
  449    HZ1  LYS  71           HZ1      LYS  71   4.898  -1.073   7.806
  450    HZ2  LYS  71           HZ2      LYS  71   4.411  -0.645   6.244
  451    HZ3  LYS  71           HZ3      LYS  71   3.411  -0.304   7.565
  452    H    ASP  72           HN       ASP  72   4.545   5.410   3.015
  453    HA   ASP  72           HA       ASP  72   2.224   6.564   2.185
  454    HB2  ASP  72           HB2      ASP  72   4.028   7.836   3.187
  455    HB3  ASP  72           HB1      ASP  72   5.044   7.566   1.775
  456    H    SER  73           HN       SER  73   5.007   5.800   0.071
  457    HA   SER  73           HA       SER  73   3.959   6.846  -2.283
  458    HB2  SER  73           HB2      SER  73   6.306   6.203  -2.027
  459    HB3  SER  73           HB1      SER  73   5.844   4.507  -1.894
  460    HG   SER  73           HG       SER  73   5.481   6.192  -4.154
  461    H    ALA  74           HN       ALA  74   3.704   3.549  -0.965
  462    HA   ALA  74           HA       ALA  74   2.374   2.501  -3.257
  463    HB1  ALA  74           HB1      ALA  74   2.053   0.523  -1.948
  464    HB2  ALA  74           HB2      ALA  74   2.348   1.407  -0.450
  465    HB3  ALA  74           HB3      ALA  74   3.662   1.156  -1.603
  466    H    ALA  75           HN       ALA  75   1.331   3.829  -0.198
  467    HA   ALA  75           HA       ALA  75  -1.422   3.296  -0.347
  468    HB1  ALA  75           HB1      ALA  75  -0.276   4.084   1.680
  469    HB2  ALA  75           HB2      ALA  75  -1.691   5.062   1.290
  470    HB3  ALA  75           HB3      ALA  75  -0.074   5.672   0.937
  471    H    VAL  76           HN       VAL  76   0.492   5.839  -1.902
  472    HA   VAL  76           HA       VAL  76  -1.649   7.473  -2.723
  473    HB   VAL  76           HB       VAL  76   1.005   7.006  -4.110
  474   HG11  VAL  76          HG11      VAL  76   0.630   9.191  -5.150
  475   HG12  VAL  76          HG12      VAL  76  -0.961   9.277  -4.394
  476   HG13  VAL  76          HG13      VAL  76  -0.625   8.035  -5.601
  477   HG21  VAL  76          HG21      VAL  76   1.310   7.776  -1.828
  478   HG22  VAL  76          HG22      VAL  76   0.189   9.107  -2.108
  479   HG23  VAL  76          HG23      VAL  76   1.726   9.054  -2.969
  480    H    LEU  77           HN       LEU  77  -0.200   4.570  -4.064
  481    HA   LEU  77           HA       LEU  77  -1.671   4.687  -6.527
  482    HB2  LEU  77           HB2      LEU  77  -0.151   2.408  -5.252
  483    HB3  LEU  77           HB1      LEU  77  -0.750   2.439  -6.895
  484    HG   LEU  77           HG       LEU  77   1.385   4.247  -5.766
  485   HD11  LEU  77          HD11      LEU  77   1.552   2.000  -7.766
  486   HD12  LEU  77          HD12      LEU  77   2.132   1.949  -6.102
  487   HD13  LEU  77          HD13      LEU  77   2.879   3.046  -7.265
  488   HD21  LEU  77          HD21      LEU  77   0.260   4.060  -8.559
  489   HD22  LEU  77          HD22      LEU  77   1.659   5.019  -8.078
  490   HD23  LEU  77          HD23      LEU  77   0.061   5.410  -7.443
  491    H    LEU  78           HN       LEU  78  -2.036   3.276  -3.379
  492    HA   LEU  78           HA       LEU  78  -4.200   1.560  -3.799
  493    HB2  LEU  78           HB2      LEU  78  -2.937   2.953  -1.570
  494    HB3  LEU  78           HB1      LEU  78  -4.643   2.732  -1.325
  495    HG   LEU  78           HG       LEU  78  -2.498   0.661  -1.573
  496   HD11  LEU  78          HD11      LEU  78  -3.014   1.556   0.625
  497   HD12  LEU  78          HD12      LEU  78  -3.522  -0.128   0.504
  498   HD13  LEU  78          HD13      LEU  78  -4.720   1.164   0.403
  499   HD21  LEU  78          HD21      LEU  78  -4.323  -1.049  -1.567
  500   HD22  LEU  78          HD22      LEU  78  -4.165  -0.165  -3.081
  501   HD23  LEU  78          HD23      LEU  78  -5.462   0.242  -1.957
  502    H    LEU  79           HN       LEU  79  -4.077   5.019  -3.105
  503    HA   LEU  79           HA       LEU  79  -6.832   5.465  -2.905
  504    HB2  LEU  79           HB2      LEU  79  -4.427   7.123  -3.311
  505    HB3  LEU  79           HB1      LEU  79  -5.945   7.840  -3.811
  506    HG   LEU  79           HG       LEU  79  -6.852   7.605  -1.574
  507   HD11  LEU  79          HD11      LEU  79  -4.218   6.312  -0.892
  508   HD12  LEU  79          HD12      LEU  79  -5.802   5.536  -0.900
  509   HD13  LEU  79          HD13      LEU  79  -5.446   6.803   0.274
  510   HD21  LEU  79          HD21      LEU  79  -5.374   9.137  -0.383
  511   HD22  LEU  79          HD22      LEU  79  -5.563   9.607  -2.074
  512   HD23  LEU  79          HD23      LEU  79  -4.088   8.800  -1.542
  513    H    GLU  80           HN       GLU  80  -4.767   5.184  -5.731
  514    HA   GLU  80           HA       GLU  80  -6.666   6.195  -7.585
  515    HB2  GLU  80           HB2      GLU  80  -4.369   4.268  -7.977
  516    HB3  GLU  80           HB1      GLU  80  -5.216   5.144  -9.257
  517    HG2  GLU  80           HG2      GLU  80  -3.716   6.452  -7.004
  518    HG3  GLU  80           HG1      GLU  80  -3.045   6.139  -8.598
  519    H    LEU  81           HN       LEU  81  -5.826   2.982  -6.407
  520    HA   LEU  81           HA       LEU  81  -7.506   1.465  -8.081
  521    HB2  LEU  81           HB2      LEU  81  -5.584   0.707  -6.574
  522    HB3  LEU  81           HB1      LEU  81  -6.727   0.797  -5.258
  523    HG   LEU  81           HG       LEU  81  -7.164  -0.965  -7.656
  524   HD11  LEU  81          HD11      LEU  81  -5.835  -1.623  -5.031
  525   HD12  LEU  81          HD12      LEU  81  -5.075  -1.617  -6.624
  526   HD13  LEU  81          HD13      LEU  81  -6.323  -2.804  -6.246
  527   HD21  LEU  81          HD21      LEU  81  -8.316  -1.016  -4.865
  528   HD22  LEU  81          HD22      LEU  81  -8.664  -2.177  -6.145
  529   HD23  LEU  81          HD23      LEU  81  -9.159  -0.494  -6.323
  530    H    LEU  82           HN       LEU  82  -7.885   2.705  -4.818
  531    HA   LEU  82           HA       LEU  82 -10.510   1.843  -4.364
  532    HB2  LEU  82           HB2      LEU  82  -8.613   3.753  -3.146
  533    HB3  LEU  82           HB1      LEU  82 -10.303   3.944  -2.725
  534    HG   LEU  82           HG       LEU  82 -10.398   1.934  -1.610
  535   HD11  LEU  82          HD11      LEU  82  -8.678   0.150  -1.792
  536   HD12  LEU  82          HD12      LEU  82  -7.944   1.059  -3.115
  537   HD13  LEU  82          HD13      LEU  82  -9.585   0.428  -3.278
  538   HD21  LEU  82          HD21      LEU  82  -8.958   3.527  -0.448
  539   HD22  LEU  82          HD22      LEU  82  -7.548   2.830  -1.246
  540   HD23  LEU  82          HD23      LEU  82  -8.486   1.862  -0.107
  541    H    ASN  83           HN       ASN  83  -9.330   4.478  -6.246
  542    HA   ASN  83           HA       ASN  83 -11.883   5.893  -6.113
  543    HB2  ASN  83           HB2      ASN  83  -9.675   7.115  -6.079
  544    HB3  ASN  83           HB1      ASN  83  -9.426   6.588  -7.737
  545   HD21  ASN  83          HD21      ASN  83 -10.403   7.665  -9.366
  546   HD22  ASN  83          HD22      ASN  83 -11.428   9.040  -9.140
  547    H    LYS  84           HN       LYS  84 -10.594   3.335  -7.686
  548    HA   LYS  84           HA       LYS  84 -12.219   3.766 -10.097
  549    HB2  LYS  84           HB2      LYS  84  -9.811   1.989  -9.677
  550    HB3  LYS  84           HB1      LYS  84 -10.781   2.014 -11.143
  551    HG2  LYS  84           HG2      LYS  84 -10.040   4.120 -11.753
  552    HG3  LYS  84           HG1      LYS  84  -9.530   4.521 -10.113
  553    HD2  LYS  84           HD2      LYS  84  -7.594   4.114 -11.529
  554    HD3  LYS  84           HD1      LYS  84  -7.717   2.873 -10.279
  555    HE2  LYS  84           HE2      LYS  84  -8.730   1.346 -11.900
  556    HE3  LYS  84           HE1      LYS  84  -8.618   2.587 -13.148
  557    HZ1  LYS  84           HZ1      LYS  84  -6.797   1.031 -13.322
  558    HZ2  LYS  84           HZ2      LYS  84  -6.331   1.335 -11.726
  559    HZ3  LYS  84           HZ3      LYS  84  -6.206   2.555 -12.888
  560    H    THR  85           HN       THR  85 -13.298   3.000  -7.655
  561    HA   THR  85           HA       THR  85 -13.696   0.119  -7.783
  562    HB   THR  85           HB       THR  85 -15.125   0.635  -5.674
  563    HG1  THR  85           HG1      THR  85 -13.459   2.855  -5.324
  564   HG21  THR  85          HG21      THR  85 -12.976  -0.527  -5.621
  565   HG22  THR  85          HG22      THR  85 -13.118   0.587  -4.262
  566   HG23  THR  85          HG23      THR  85 -12.129   1.019  -5.656
  Start of MODEL   12
    1    H1   ASN  15           HT1      ASN  15  -6.887   5.153   4.473
    2    H2   ASN  15           HT2      ASN  15  -5.559   4.621   5.373
    3    H3   ASN  15           HT3      ASN  15  -6.391   6.014   5.839
    4    HA   ASN  15           HA       ASN  15  -7.501   3.272   5.803
    5    HB2  ASN  15           HB2      ASN  15  -6.505   4.995   8.075
    6    HB3  ASN  15           HB1      ASN  15  -7.539   3.593   8.314
    7   HD21  ASN  15          HD21      ASN  15  -5.985   2.527   9.508
    8   HD22  ASN  15          HD22      ASN  15  -4.575   1.835   8.778
    9    H    ASP  16           HN       ASP  16  -8.136   6.637   5.697
   10    HA   ASP  16           HA       ASP  16 -10.566   6.715   7.165
   11    HB2  ASP  16           HB2      ASP  16  -9.691   8.489   4.870
   12    HB3  ASP  16           HB1      ASP  16 -10.971   8.843   6.022
   13    H    ILE  17           HN       ILE  17  -9.808   6.364   3.718
   14    HA   ILE  17           HA       ILE  17 -12.450   6.232   2.804
   15    HB   ILE  17           HB       ILE  17  -9.914   5.134   1.595
   16   HG12  ILE  17          HG12      ILE  17 -10.377   7.027  -0.033
   17   HG13  ILE  17          HG11      ILE  17 -11.617   7.570   1.086
   18   HG21  ILE  17          HG21      ILE  17 -11.784   3.795   0.792
   19   HG22  ILE  17          HG22      ILE  17 -11.162   4.835  -0.489
   20   HG23  ILE  17          HG23      ILE  17 -12.656   5.262   0.344
   21   HD11  ILE  17          HD11      ILE  17  -9.536   8.807   1.343
   22   HD12  ILE  17          HD12      ILE  17  -8.697   7.305   1.736
   23   HD13  ILE  17          HD13      ILE  17  -9.966   7.913   2.801
   24    H    CYS  18           HN       CYS  18 -10.222   3.761   3.927
   25    HA   CYS  18           HA       CYS  18 -11.828   1.513   3.352
   26    HB2  CYS  18           HB2      CYS  18  -9.709   1.909   5.479
   27    HB3  CYS  18           HB1      CYS  18 -10.351   0.354   4.970
   28    HG   CYS  18           HG       CYS  18  -9.225   0.320   2.505
   29    H    LEU  19           HN       LEU  19 -11.445   3.569   6.177
   30    HA   LEU  19           HA       LEU  19 -13.119   2.193   7.960
   31    HB2  LEU  19           HB2      LEU  19 -11.543   4.013   8.533
   32    HB3  LEU  19           HB1      LEU  19 -12.614   5.156   7.763
   33    HG   LEU  19           HG       LEU  19 -14.370   4.562   9.428
   34   HD11  LEU  19          HD11      LEU  19 -12.122   3.018  10.706
   35   HD12  LEU  19          HD12      LEU  19 -13.611   2.349  10.036
   36   HD13  LEU  19          HD13      LEU  19 -13.671   3.383  11.463
   37   HD21  LEU  19          HD21      LEU  19 -12.940   6.531   9.700
   38   HD22  LEU  19          HD22      LEU  19 -11.767   5.554  10.580
   39   HD23  LEU  19          HD23      LEU  19 -13.373   5.821  11.256
   40    H    ARG  20           HN       ARG  20 -13.754   4.997   5.886
   41    HA   ARG  20           HA       ARG  20 -16.456   5.340   6.319
   42    HB2  ARG  20           HB2      ARG  20 -14.835   6.799   5.056
   43    HB3  ARG  20           HB1      ARG  20 -14.992   5.693   3.701
   44    HG2  ARG  20           HG2      ARG  20 -17.456   6.194   3.720
   45    HG3  ARG  20           HG1      ARG  20 -17.099   7.478   4.881
   46    HD2  ARG  20           HD2      ARG  20 -16.136   7.218   2.041
   47    HD3  ARG  20           HD1      ARG  20 -17.129   8.497   2.737
   48    HE   ARG  20           HE       ARG  20 -14.873   8.714   4.173
   49   HH11  ARG  20          HH11      ARG  20 -15.426   8.490   0.727
   50   HH12  ARG  20          HH12      ARG  20 -13.996   9.376   0.307
   51   HH21  ARG  20          HH21      ARG  20 -12.981   9.868   3.628
   52   HH22  ARG  20          HH22      ARG  20 -12.594  10.151   1.959
   53    H    LYS  21           HN       LYS  21 -14.807   3.182   4.061
   54    HA   LYS  21           HA       LYS  21 -17.174   2.339   2.700
   55    HB2  LYS  21           HB2      LYS  21 -14.280   1.751   2.630
   56    HB3  LYS  21           HB1      LYS  21 -15.346   0.479   2.041
   57    HG2  LYS  21           HG2      LYS  21 -15.407   3.325   1.065
   58    HG3  LYS  21           HG1      LYS  21 -14.528   2.010   0.275
   59    HD2  LYS  21           HD2      LYS  21 -16.584   0.780  -0.033
   60    HD3  LYS  21           HD1      LYS  21 -17.478   2.018   0.843
   61    HE2  LYS  21           HE2      LYS  21 -15.932   2.582  -1.667
   62    HE3  LYS  21           HE1      LYS  21 -17.626   2.103  -1.682
   63    HZ1  LYS  21           HZ1      LYS  21 -18.166   4.043  -0.376
   64    HZ2  LYS  21           HZ2      LYS  21 -17.338   4.513  -1.773
   65    HZ3  LYS  21           HZ3      LYS  21 -16.537   4.487  -0.286
   66    H    ASN  22           HN       ASN  22 -16.183   1.745   5.704
   67    HA   ASN  22           HA       ASN  22 -16.777   0.290   7.337
   68    HB2  ASN  22           HB2      ASN  22 -19.011   0.325   6.196
   69    HB3  ASN  22           HB1      ASN  22 -18.505  -1.081   5.268
   70   HD21  ASN  22          HD21      ASN  22 -20.101  -2.398   6.096
   71   HD22  ASN  22          HD22      ASN  22 -20.098  -2.960   7.732
   72    H    TRP  23           HN       TRP  23 -14.603  -0.126   5.402
   73    HA   TRP  23           HA       TRP  23 -14.218  -3.025   5.416
   74    HB2  TRP  23           HB2      TRP  23 -12.471  -0.764   4.424
   75    HB3  TRP  23           HB1      TRP  23 -12.084  -2.471   4.277
   76    HD1  TRP  23           HD1      TRP  23 -15.350  -3.016   3.393
   77    HE1  TRP  23           HE1      TRP  23 -15.862  -2.591   0.894
   78    HE3  TRP  23           HE3      TRP  23 -11.323  -0.138   2.246
   79    HZ2  TRP  23           HZ2      TRP  23 -14.664  -1.211  -1.281
   80    HZ3  TRP  23           HZ3      TRP  23 -11.072   0.705  -0.043
   81    HH2  TRP  23           HH2      TRP  23 -12.713   0.183  -1.774
   82    HA   PRO  24           HA       PRO  24 -11.417  -2.831   8.897
   83    HB2  PRO  24           HB2      PRO  24  -9.673  -4.784   7.957
   84    HB3  PRO  24           HB1      PRO  24 -11.027  -5.042   9.045
   85    HG2  PRO  24           HG2      PRO  24 -10.726  -5.848   6.324
   86    HG3  PRO  24           HG1      PRO  24 -12.076  -6.166   7.419
   87    HD2  PRO  24           HD2      PRO  24 -11.922  -4.297   5.229
   88    HD3  PRO  24           HD1      PRO  24 -13.320  -4.722   6.212
   89    H    MET  25           HN       MET  25  -8.903  -2.867   9.161
   90    HA   MET  25           HA       MET  25  -7.963  -0.702   7.528
   91    HB2  MET  25           HB2      MET  25  -6.605  -2.205   9.766
   92    HB3  MET  25           HB1      MET  25  -6.085  -0.664   9.086
   93    HG2  MET  25           HG2      MET  25  -8.737  -1.132  10.419
   94    HG3  MET  25           HG1      MET  25  -7.326  -0.460  11.215
   95    HE1  MET  25           HE1      MET  25 -10.283   0.811  10.967
   96    HE2  MET  25           HE2      MET  25  -9.960   2.510  10.625
   97    HE3  MET  25           HE3      MET  25  -9.037   1.670  11.874
   98    HA   PRO  26           HA       PRO  26  -5.972  -3.140   4.513
   99    HB2  PRO  26           HB2      PRO  26  -3.939  -1.092   4.164
  100    HB3  PRO  26           HB1      PRO  26  -5.220  -1.586   3.060
  101    HG2  PRO  26           HG2      PRO  26  -5.218   0.808   4.343
  102    HG3  PRO  26           HG1      PRO  26  -6.700  -0.040   3.870
  103    HD2  PRO  26           HD2      PRO  26  -5.411   0.182   6.549
  104    HD3  PRO  26           HD1      PRO  26  -7.132   0.139   6.117
  105    H    SER  27           HN       SER  27  -4.077  -4.249   3.991
  106    HA   SER  27           HA       SER  27  -2.354  -4.820   6.239
  107    HB2  SER  27           HB2      SER  27  -3.239  -6.579   4.674
  108    HB3  SER  27           HB1      SER  27  -2.219  -5.888   3.415
  109    HG   SER  27           HG       SER  27  -1.463  -7.221   5.788
  110    H    TYR  28           HN       TYR  28  -0.100  -4.444   6.300
  111    HA   TYR  28           HA       TYR  28   1.007  -2.875   4.134
  112    HB2  TYR  28           HB2      TYR  28   0.878  -2.010   7.017
  113    HB3  TYR  28           HB1      TYR  28   2.130  -1.413   5.934
  114    HD1  TYR  28           HD2      TYR  28  -1.460  -1.321   6.726
  115    HD2  TYR  28           HD1      TYR  28   1.598   0.127   4.137
  116    HE1  TYR  28           HE2      TYR  28  -2.976   0.452   5.926
  117    HE2  TYR  28           HE1      TYR  28   0.099   1.891   3.333
  118    HH   TYR  28           HH       TYR  28  -2.336   2.289   3.159
  119    H    ARG  29           HN       ARG  29   2.731  -4.060   3.510
  120    HA   ARG  29           HA       ARG  29   4.425  -5.317   5.517
  121    HB2  ARG  29           HB2      ARG  29   3.072  -6.803   3.274
  122    HB3  ARG  29           HB1      ARG  29   4.379  -7.457   4.240
  123    HG2  ARG  29           HG2      ARG  29   2.981  -7.318   6.234
  124    HG3  ARG  29           HG1      ARG  29   1.665  -6.652   5.261
  125    HD2  ARG  29           HD2      ARG  29   1.436  -9.083   5.680
  126    HD3  ARG  29           HD1      ARG  29   1.533  -8.677   3.966
  127    HE   ARG  29           HE       ARG  29   4.020  -9.423   5.290
  128   HH11  ARG  29          HH11      ARG  29   1.346 -10.398   3.243
  129   HH12  ARG  29          HH12      ARG  29   2.194 -11.746   2.561
  130   HH21  ARG  29          HH21      ARG  29   5.139 -11.194   4.401
  131   HH22  ARG  29          HH22      ARG  29   4.359 -12.202   3.227
  132    H    CYS  30           HN       CYS  30   6.478  -4.889   5.005
  133    HA   CYS  30           HA       CYS  30   7.177  -3.752   2.487
  134    HB2  CYS  30           HB2      CYS  30   8.289  -3.192   4.663
  135    HB3  CYS  30           HB1      CYS  30   9.030  -4.788   4.637
  136    HG   CYS  30           HG       CYS  30  10.477  -2.246   3.671
  137    H    VAL  31           HN       VAL  31   7.647  -4.788   0.673
  138    HA   VAL  31           HA       VAL  31   7.846  -7.677   0.744
  139    HB   VAL  31           HB       VAL  31   7.699  -7.585  -1.688
  140   HG11  VAL  31          HG11      VAL  31   5.657  -7.653  -0.388
  141   HG12  VAL  31          HG12      VAL  31   5.418  -6.679  -1.838
  142   HG13  VAL  31          HG13      VAL  31   5.651  -5.894  -0.275
  143   HG21  VAL  31          HG21      VAL  31   8.884  -5.502  -2.105
  144   HG22  VAL  31          HG22      VAL  31   7.563  -4.596  -1.366
  145   HG23  VAL  31          HG23      VAL  31   7.292  -5.488  -2.861
  146    H    LYS  32           HN       LYS  32   9.854  -4.914  -0.073
  147    HA   LYS  32           HA       LYS  32  12.148  -6.725  -0.163
  148    HB2  LYS  32           HB2      LYS  32  11.597  -6.183  -2.486
  149    HB3  LYS  32           HB1      LYS  32  11.631  -4.480  -2.098
  150    HG2  LYS  32           HG2      LYS  32  13.656  -5.268  -3.245
  151    HG3  LYS  32           HG1      LYS  32  13.957  -4.545  -1.680
  152    HD2  LYS  32           HD2      LYS  32  14.112  -6.794  -0.692
  153    HD3  LYS  32           HD1      LYS  32  13.871  -7.491  -2.295
  154    HE2  LYS  32           HE2      LYS  32  15.917  -6.502  -3.086
  155    HE3  LYS  32           HE1      LYS  32  16.127  -5.628  -1.570
  156    HZ1  LYS  32           HZ1      LYS  32  16.157  -8.580  -1.866
  157    HZ2  LYS  32           HZ2      LYS  32  16.391  -7.731  -0.426
  158    HZ3  LYS  32           HZ3      LYS  32  17.520  -7.601  -1.676
  159    H    GLU  33           HN       GLU  33  13.605  -6.141   1.188
  160    HA   GLU  33           HA       GLU  33  14.350  -3.383   1.605
  161    HB2  GLU  33           HB2      GLU  33  12.604  -3.601   3.282
  162    HB3  GLU  33           HB1      GLU  33  13.321  -5.087   3.886
  163    HG2  GLU  33           HG2      GLU  33  15.286  -3.845   4.625
  164    HG3  GLU  33           HG1      GLU  33  14.578  -2.354   4.008
  165    H    GLY  34           HN       GLY  34  16.526  -3.287   1.743
  166    HA2  GLY  34           HA2      GLY  34  18.612  -3.862   2.649
  167    HA3  GLY  34           HA1      GLY  34  17.940  -5.402   3.157
  168    H    GLY  35           HN       GLY  35  20.297  -5.656   2.180
  169    HA2  GLY  35           HA2      GLY  35  20.435  -7.453   0.243
  170    HA3  GLY  35           HA1      GLY  35  20.247  -5.988  -0.712
  171    HA   PRO  36           HA       PRO  36  24.819  -6.596  -0.372
  172    HB2  PRO  36           HB2      PRO  36  24.470  -4.636  -2.601
  173    HB3  PRO  36           HB1      PRO  36  25.546  -6.031  -2.495
  174    HG2  PRO  36           HG2      PRO  36  23.354  -6.170  -3.959
  175    HG3  PRO  36           HG1      PRO  36  23.838  -7.546  -2.950
  176    HD2  PRO  36           HD2      PRO  36  21.698  -5.514  -2.482
  177    HD3  PRO  36           HD1      PRO  36  21.693  -7.253  -2.131
  178    H    ALA  37           HN       ALA  37  23.857  -3.403  -1.563
  179    HA   ALA  37           HA       ALA  37  24.205  -2.112   0.970
  180    HB1  ALA  37           HB1      ALA  37  26.240  -1.478  -1.164
  181    HB2  ALA  37           HB2      ALA  37  26.565  -2.455   0.267
  182    HB3  ALA  37           HB3      ALA  37  26.118  -0.757   0.438
  183    H    HIS  38           HN       HIS  38  24.148  -1.722  -2.542
  184    HA   HIS  38           HA       HIS  38  22.838   0.830  -2.438
  185    HB2  HIS  38           HB2      HIS  38  22.625   0.573  -4.887
  186    HB3  HIS  38           HB1      HIS  38  24.269   0.284  -4.334
  187    HD1  HIS  38           HD1      HIS  38  25.292  -1.957  -4.855
  188    HD2  HIS  38           HD2      HIS  38  21.218  -1.824  -5.681
  189    HE1  HIS  38           HE1      HIS  38  24.768  -4.118  -6.027
  190    HE2  HIS  38           HE2      HIS  38  22.340  -3.933  -6.675
  191    H    ALA  39           HN       ALA  39  21.628  -1.812  -1.317
  192    HA   ALA  39           HA       ALA  39  19.070  -1.635  -2.750
  193    HB1  ALA  39           HB1      ALA  39  20.167  -3.786  -3.063
  194    HB2  ALA  39           HB2      ALA  39  18.674  -3.964  -2.138
  195    HB3  ALA  39           HB3      ALA  39  20.235  -4.014  -1.316
  196    H    LYS  40           HN       LYS  40  20.045  -0.049  -0.466
  197    HA   LYS  40           HA       LYS  40  18.261  -0.909   1.670
  198    HB2  LYS  40           HB2      LYS  40  20.646   0.359   1.815
  199    HB3  LYS  40           HB1      LYS  40  19.556   1.737   1.836
  200    HG2  LYS  40           HG2      LYS  40  20.093   1.053   4.088
  201    HG3  LYS  40           HG1      LYS  40  18.380   0.799   3.751
  202    HD2  LYS  40           HD2      LYS  40  18.816  -1.581   3.350
  203    HD3  LYS  40           HD1      LYS  40  20.527  -1.324   3.692
  204    HE2  LYS  40           HE2      LYS  40  19.949  -0.603   5.964
  205    HE3  LYS  40           HE1      LYS  40  18.245  -0.882   5.613
  206    HZ1  LYS  40           HZ1      LYS  40  18.703  -3.219   5.314
  207    HZ2  LYS  40           HZ2      LYS  40  19.265  -2.726   6.827
  208    HZ3  LYS  40           HZ3      LYS  40  20.357  -2.970   5.560
  209    H    ARG  41           HN       ARG  41  17.724   0.218  -1.126
  210    HA   ARG  41           HA       ARG  41  15.701   2.188  -0.448
  211    HB2  ARG  41           HB2      ARG  41  14.979   1.858  -2.856
  212    HB3  ARG  41           HB1      ARG  41  16.587   2.507  -2.626
  213    HG2  ARG  41           HG2      ARG  41  17.298  -0.010  -2.822
  214    HG3  ARG  41           HG1      ARG  41  15.740  -0.163  -3.632
  215    HD2  ARG  41           HD2      ARG  41  18.077   1.564  -4.413
  216    HD3  ARG  41           HD1      ARG  41  17.367   0.230  -5.318
  217    HE   ARG  41           HE       ARG  41  15.761   2.631  -4.792
  218   HH11  ARG  41          HH11      ARG  41  17.448   0.575  -7.070
  219   HH12  ARG  41          HH12      ARG  41  16.723   1.312  -8.459
  220   HH21  ARG  41          HH21      ARG  41  14.810   3.600  -6.623
  221   HH22  ARG  41          HH22      ARG  41  15.201   3.012  -8.209
  222    H    PHE  42           HN       PHE  42  13.545   1.750  -0.208
  223    HA   PHE  42           HA       PHE  42  13.060  -1.102   0.331
  224    HB2  PHE  42           HB2      PHE  42  11.669   1.211   1.681
  225    HB3  PHE  42           HB1      PHE  42  11.721  -0.471   2.197
  226    HD1  PHE  42           HD1      PHE  42  14.462  -1.221   2.211
  227    HD2  PHE  42           HD2      PHE  42  12.748   2.552   3.182
  228    HE1  PHE  42           HE1      PHE  42  16.409  -0.702   3.632
  229    HE2  PHE  42           HE2      PHE  42  14.681   3.066   4.608
  230    HZ   PHE  42           HZ       PHE  42  16.511   1.438   4.838
  231    H    THR  43           HN       THR  43  11.297  -2.064  -0.409
  232    HA   THR  43           HA       THR  43   9.351  -0.442  -1.912
  233    HB   THR  43           HB       THR  43  10.290  -3.205  -2.724
  234    HG1  THR  43           HG1      THR  43  11.500  -0.787  -3.021
  235   HG21  THR  43          HG21      THR  43   9.258  -2.581  -4.878
  236   HG22  THR  43          HG22      THR  43   8.730  -1.055  -4.171
  237   HG23  THR  43          HG23      THR  43   8.090  -2.580  -3.559
  238    H    PHE  44           HN       PHE  44   7.183  -0.961  -1.477
  239    HA   PHE  44           HA       PHE  44   6.674  -3.335   0.122
  240    HB2  PHE  44           HB2      PHE  44   6.675  -2.039   1.989
  241    HB3  PHE  44           HB1      PHE  44   6.730  -0.557   1.047
  242    HD1  PHE  44           HD2      PHE  44   4.425  -3.199   2.219
  243    HD2  PHE  44           HD1      PHE  44   4.886   0.828   0.958
  244    HE1  PHE  44           HE2      PHE  44   2.115  -2.720   2.894
  245    HE2  PHE  44           HE1      PHE  44   2.586   1.313   1.648
  246    HZ   PHE  44           HZ       PHE  44   1.143  -0.478   2.419
  247    H    GLY  45           HN       GLY  45   4.402  -3.949   0.065
  248    HA2  GLY  45           HA2      GLY  45   2.846  -2.539  -2.015
  249    HA3  GLY  45           HA1      GLY  45   2.925  -4.293  -1.952
  250    H    VAL  46           HN       VAL  46   0.672  -2.259  -1.641
  251    HA   VAL  46           HA       VAL  46  -0.236  -2.937   1.091
  252    HB   VAL  46           HB       VAL  46  -1.834  -1.037  -0.495
  253   HG11  VAL  46          HG11      VAL  46  -2.432  -1.447   1.759
  254   HG12  VAL  46          HG12      VAL  46  -1.788   0.195   1.675
  255   HG13  VAL  46          HG13      VAL  46  -0.795  -1.109   2.320
  256   HG21  VAL  46          HG21      VAL  46  -0.341   0.872  -0.085
  257   HG22  VAL  46          HG22      VAL  46   0.329  -0.287  -1.233
  258   HG23  VAL  46          HG23      VAL  46   0.919  -0.251   0.428
  259    H    ARG  47           HN       ARG  47  -2.468  -3.667   1.343
  260    HA   ARG  47           HA       ARG  47  -4.015  -4.081  -1.065
  261    HB2  ARG  47           HB2      ARG  47  -4.608  -6.423  -0.242
  262    HB3  ARG  47           HB1      ARG  47  -3.014  -6.241  -0.961
  263    HG2  ARG  47           HG2      ARG  47  -2.100  -6.058   1.346
  264    HG3  ARG  47           HG1      ARG  47  -3.700  -6.443   1.956
  265    HD2  ARG  47           HD2      ARG  47  -2.368  -8.449   1.910
  266    HD3  ARG  47           HD1      ARG  47  -3.640  -8.561   0.694
  267    HE   ARG  47           HE       ARG  47  -0.954  -7.697  -0.112
  268   HH11  ARG  47          HH11      ARG  47  -3.491 -10.095  -0.171
  269   HH12  ARG  47          HH12      ARG  47  -2.811 -10.975  -1.499
  270   HH21  ARG  47          HH21      ARG  47  -0.007  -8.880  -1.832
  271   HH22  ARG  47          HH22      ARG  47  -0.845 -10.271  -2.464
  272    H    VAL  48           HN       VAL  48  -6.242  -4.142  -0.629
  273    HA   VAL  48           HA       VAL  48  -6.986  -3.514   2.166
  274    HB   VAL  48           HB       VAL  48  -8.120  -2.333  -0.369
  275   HG11  VAL  48          HG11      VAL  48  -8.939  -1.863   2.493
  276   HG12  VAL  48          HG12      VAL  48  -9.904  -2.648   1.240
  277   HG13  VAL  48          HG13      VAL  48  -9.508  -0.935   1.105
  278   HG21  VAL  48          HG21      VAL  48  -7.205  -0.253   0.349
  279   HG22  VAL  48          HG22      VAL  48  -5.915  -1.457   0.415
  280   HG23  VAL  48          HG23      VAL  48  -6.718  -0.942   1.896
  281    H    ASN  49           HN       ASN  49  -9.107  -4.185   2.832
  282    HA   ASN  49           HA       ASN  49  -9.964  -6.615   1.447
  283    HB2  ASN  49           HB2      ASN  49  -9.474  -6.824   3.840
  284    HB3  ASN  49           HB1      ASN  49 -10.649  -5.568   4.204
  285   HD21  ASN  49          HD21      ASN  49 -10.214  -8.863   3.144
  286   HD22  ASN  49          HD22      ASN  49 -11.836  -9.375   3.445
  287    H    THR  50           HN       THR  50 -11.012  -5.707  -0.172
  288    HA   THR  50           HA       THR  50 -13.213  -3.869   0.154
  289    HB   THR  50           HB       THR  50 -13.862  -4.430  -2.200
  290    HG1  THR  50           HG1      THR  50 -11.479  -6.012  -2.128
  291   HG21  THR  50          HG21      THR  50 -12.386  -2.570  -1.740
  292   HG22  THR  50          HG22      THR  50 -11.866  -3.391  -3.213
  293   HG23  THR  50          HG23      THR  50 -10.992  -3.647  -1.701
  294    H    SER  51           HN       SER  51 -15.037  -4.326   1.075
  295    HA   SER  51           HA       SER  51 -15.727  -6.764   2.128
  296    HB2  SER  51           HB2      SER  51 -16.600  -4.573   2.869
  297    HB3  SER  51           HB1      SER  51 -17.620  -4.512   1.435
  298    HG   SER  51           HG       SER  51 -18.264  -6.762   2.407
  299    H    ASP  52           HN       ASP  52 -16.348  -5.666  -1.110
  300    HA   ASP  52           HA       ASP  52 -18.223  -7.912  -1.461
  301    HB2  ASP  52           HB2      ASP  52 -19.348  -6.725  -3.161
  302    HB3  ASP  52           HB1      ASP  52 -19.103  -5.573  -1.857
  303    H    ARG  53           HN       ARG  53 -15.080  -7.517  -1.840
  304    HA   ARG  53           HA       ARG  53 -15.045  -9.187  -4.231
  305    HB2  ARG  53           HB2      ARG  53 -14.753  -6.766  -4.880
  306    HB3  ARG  53           HB1      ARG  53 -13.255  -6.771  -3.968
  307    HG2  ARG  53           HG2      ARG  53 -12.338  -8.452  -5.444
  308    HG3  ARG  53           HG1      ARG  53 -13.857  -8.513  -6.341
  309    HD2  ARG  53           HD2      ARG  53 -12.074  -6.108  -6.024
  310    HD3  ARG  53           HD1      ARG  53 -12.234  -7.090  -7.483
  311    HE   ARG  53           HE       ARG  53 -14.634  -6.360  -7.470
  312   HH11  ARG  53          HH11      ARG  53 -12.128  -4.371  -6.032
  313   HH12  ARG  53          HH12      ARG  53 -13.052  -2.905  -6.156
  314   HH21  ARG  53          HH21      ARG  53 -15.829  -4.419  -7.644
  315   HH22  ARG  53          HH22      ARG  53 -15.141  -2.934  -7.065
  316    H    GLY  54           HN       GLY  54 -13.000  -7.587  -1.794
  317    HA2  GLY  54           HA2      GLY  54 -12.089  -9.169  -0.090
  318    HA3  GLY  54           HA1      GLY  54 -11.561 -10.134  -1.456
  319    H    TRP  55           HN       TRP  55  -9.487  -9.935  -0.310
  320    HA   TRP  55           HA       TRP  55  -7.997  -7.623  -0.101
  321    HB2  TRP  55           HB2      TRP  55  -7.271 -10.473  -0.636
  322    HB3  TRP  55           HB1      TRP  55  -6.025  -9.242  -0.778
  323    HD1  TRP  55           HD1      TRP  55  -7.090 -11.610   1.652
  324    HE1  TRP  55           HE1      TRP  55  -6.586 -10.858   4.065
  325    HE3  TRP  55           HE3      TRP  55  -6.272  -6.641   0.809
  326    HZ2  TRP  55           HZ2      TRP  55  -5.934  -8.463   5.409
  327    HZ3  TRP  55           HZ3      TRP  55  -5.729  -5.196   2.706
  328    HH2  TRP  55           HH2      TRP  55  -5.561  -6.076   4.963
  329    H    THR  56           HN       THR  56  -7.489  -6.133  -1.480
  330    HA   THR  56           HA       THR  56  -8.013  -6.350  -4.263
  331    HB   THR  56           HB       THR  56  -7.037  -4.066  -4.394
  332    HG1  THR  56           HG1      THR  56  -5.579  -3.765  -2.859
  333   HG21  THR  56          HG21      THR  56  -9.402  -4.355  -3.880
  334   HG22  THR  56          HG22      THR  56  -8.742  -2.979  -2.997
  335   HG23  THR  56          HG23      THR  56  -9.024  -4.506  -2.164
  336    H    ASP  57           HN       ASP  57  -6.287  -5.353  -5.807
  337    HA   ASP  57           HA       ASP  57  -4.101  -7.113  -6.031
  338    HB2  ASP  57           HB2      ASP  57  -4.543  -4.402  -7.298
  339    HB3  ASP  57           HB1      ASP  57  -3.268  -5.521  -7.759
  340    H    GLU  58           HN       GLU  58  -2.073  -6.998  -5.307
  341    HA   GLU  58           HA       GLU  58  -1.438  -5.284  -3.177
  342    HB2  GLU  58           HB2      GLU  58  -0.493  -7.570  -3.588
  343    HB3  GLU  58           HB1      GLU  58   0.500  -6.852  -4.842
  344    HG2  GLU  58           HG2      GLU  58   1.639  -5.481  -3.244
  345    HG3  GLU  58           HG1      GLU  58   0.557  -6.019  -1.958
  346    H    CYS  59           HN       CYS  59  -1.017  -3.263  -3.322
  347    HA   CYS  59           HA       CYS  59  -0.087  -2.092  -5.815
  348    HB2  CYS  59           HB2      CYS  59  -0.906  -0.759  -3.223
  349    HB3  CYS  59           HB1      CYS  59  -0.585   0.060  -4.749
  350    HG   CYS  59           HG       CYS  59  -2.977  -2.337  -4.726
  351    H    ILE  60           HN       ILE  60   2.019  -2.538  -6.015
  352    HA   ILE  60           HA       ILE  60   3.882  -2.240  -3.839
  353    HB   ILE  60           HB       ILE  60   4.225  -2.852  -6.778
  354   HG12  ILE  60          HG12      ILE  60   3.180  -4.601  -5.343
  355   HG13  ILE  60          HG11      ILE  60   4.697  -5.096  -6.085
  356   HG21  ILE  60          HG21      ILE  60   6.189  -1.674  -5.996
  357   HG22  ILE  60          HG22      ILE  60   6.554  -3.371  -6.303
  358   HG23  ILE  60          HG23      ILE  60   6.339  -2.801  -4.649
  359   HD11  ILE  60          HD11      ILE  60   4.530  -5.817  -3.768
  360   HD12  ILE  60          HD12      ILE  60   4.375  -4.135  -3.264
  361   HD13  ILE  60          HD13      ILE  60   5.864  -4.694  -4.015
  362    H    GLY  61           HN       GLY  61   4.812  -0.400  -3.301
  363    HA2  GLY  61           HA2      GLY  61   4.483   1.952  -4.952
  364    HA3  GLY  61           HA1      GLY  61   5.200   1.890  -3.349
  365    H    GLU  62           HN       GLU  62   6.658   3.433  -4.557
  366    HA   GLU  62           HA       GLU  62   8.557   2.180  -6.359
  367    HB2  GLU  62           HB2      GLU  62   8.459   4.980  -5.220
  368    HB3  GLU  62           HB1      GLU  62   9.537   4.426  -6.495
  369    HG2  GLU  62           HG2      GLU  62   7.567   3.935  -7.893
  370    HG3  GLU  62           HG1      GLU  62   6.538   4.600  -6.629
  371    HA   PRO  63           HA       PRO  63  11.680   1.237  -3.301
  372    HB2  PRO  63           HB2      PRO  63  13.578   2.423  -5.251
  373    HB3  PRO  63           HB1      PRO  63  13.589   0.821  -4.506
  374    HG2  PRO  63           HG2      PRO  63  12.900   1.154  -7.069
  375    HG3  PRO  63           HG1      PRO  63  12.101  -0.051  -6.043
  376    HD2  PRO  63           HD2      PRO  63  11.116   2.616  -6.950
  377    HD3  PRO  63           HD1      PRO  63  10.222   1.104  -6.708
  378    H    MET  64           HN       MET  64  11.748   2.563  -1.580
  379    HA   MET  64           HA       MET  64  12.375   5.400  -2.030
  380    HB2  MET  64           HB2      MET  64  10.665   4.158   0.124
  381    HB3  MET  64           HB1      MET  64  11.024   5.872  -0.033
  382    HG2  MET  64           HG2      MET  64   9.477   4.177  -1.977
  383    HG3  MET  64           HG1      MET  64   8.831   5.395  -0.887
  384    HE1  MET  64           HE1      MET  64  10.812   7.770  -1.045
  385    HE2  MET  64           HE2      MET  64   9.062   7.954  -1.193
  386    HE3  MET  64           HE3      MET  64  10.132   8.717  -2.369
  387    HA   PRO  65           HA       PRO  65  15.858   4.687   0.571
  388    HB2  PRO  65           HB2      PRO  65  16.563   7.226   1.100
  389    HB3  PRO  65           HB1      PRO  65  16.729   6.522  -0.512
  390    HG2  PRO  65           HG2      PRO  65  14.597   8.323   0.560
  391    HG3  PRO  65           HG1      PRO  65  15.412   8.372  -1.012
  392    HD2  PRO  65           HD2      PRO  65  12.933   7.286  -0.614
  393    HD3  PRO  65           HD1      PRO  65  14.039   6.772  -1.905
  394    H    SER  66           HN       SER  66  12.953   5.322   1.854
  395    HA   SER  66           HA       SER  66  13.950   5.005   4.532
  396    HB2  SER  66           HB2      SER  66  13.957   7.418   4.465
  397    HB3  SER  66           HB1      SER  66  12.354   7.452   3.739
  398    HG   SER  66           HG       SER  66  13.078   6.702   6.372
  399    H    VAL  67           HN       VAL  67  12.419   4.085   5.901
  400    HA   VAL  67           HA       VAL  67  10.510   2.474   4.508
  401    HB   VAL  67           HB       VAL  67  10.021   1.457   6.670
  402   HG11  VAL  67          HG11      VAL  67  12.965   1.934   6.253
  403   HG12  VAL  67          HG12      VAL  67  11.984   0.698   5.465
  404   HG13  VAL  67          HG13      VAL  67  12.260   0.630   7.205
  405   HG21  VAL  67          HG21      VAL  67  11.150   2.210   8.710
  406   HG22  VAL  67          HG22      VAL  67  10.068   3.448   8.071
  407   HG23  VAL  67          HG23      VAL  67  11.809   3.588   7.832
  408    H    LYS  68           HN       LYS  68  10.348   5.475   6.156
  409    HA   LYS  68           HA       LYS  68   7.606   5.312   6.956
  410    HB2  LYS  68           HB2      LYS  68   9.395   7.725   6.597
  411    HB3  LYS  68           HB1      LYS  68   7.844   7.715   7.427
  412    HG2  LYS  68           HG2      LYS  68   8.712   6.267   9.139
  413    HG3  LYS  68           HG1      LYS  68  10.239   6.098   8.271
  414    HD2  LYS  68           HD2      LYS  68  10.655   8.496   8.551
  415    HD3  LYS  68           HD1      LYS  68   9.129   8.657   9.423
  416    HE2  LYS  68           HE2      LYS  68   9.931   7.179  11.163
  417    HE3  LYS  68           HE1      LYS  68  11.428   6.904  10.276
  418    HZ1  LYS  68           HZ1      LYS  68  11.987   9.227  10.545
  419    HZ2  LYS  68           HZ2      LYS  68  11.703   8.523  12.055
  420    HZ3  LYS  68           HZ3      LYS  68  10.533   9.521  11.357
  421    H    LYS  69           HN       LYS  69   9.352   6.817   4.283
  422    HA   LYS  69           HA       LYS  69   6.909   7.809   3.112
  423    HB2  LYS  69           HB2      LYS  69   8.435   8.564   1.242
  424    HB3  LYS  69           HB1      LYS  69   8.714   9.278   2.822
  425    HG2  LYS  69           HG2      LYS  69  10.589   7.804   3.187
  426    HG3  LYS  69           HG1      LYS  69  10.294   7.011   1.641
  427    HD2  LYS  69           HD2      LYS  69  12.100   8.627   1.422
  428    HD3  LYS  69           HD1      LYS  69  10.700   9.146   0.485
  429    HE2  LYS  69           HE2      LYS  69  10.063  10.605   2.423
  430    HE3  LYS  69           HE1      LYS  69  11.607  10.194   3.162
  431    HZ1  LYS  69           HZ1      LYS  69  11.217  11.569   0.560
  432    HZ2  LYS  69           HZ2      LYS  69  12.714  11.128   1.209
  433    HZ3  LYS  69           HZ3      LYS  69  11.762  12.280   1.995
  434    H    ALA  70           HN       ALA  70   8.796   4.969   2.949
  435    HA   ALA  70           HA       ALA  70   8.174   3.991   0.421
  436    HB1  ALA  70           HB1      ALA  70   9.736   2.890   1.955
  437    HB2  ALA  70           HB2      ALA  70   8.508   1.768   1.368
  438    HB3  ALA  70           HB3      ALA  70   8.388   2.433   2.996
  439    H    LYS  71           HN       LYS  71   6.413   3.370   3.463
  440    HA   LYS  71           HA       LYS  71   4.177   2.130   2.442
  441    HB2  LYS  71           HB2      LYS  71   4.215   4.060   4.766
  442    HB3  LYS  71           HB1      LYS  71   3.023   2.803   4.469
  443    HG2  LYS  71           HG2      LYS  71   4.817   1.111   4.719
  444    HG3  LYS  71           HG1      LYS  71   5.930   2.412   5.151
  445    HD2  LYS  71           HD2      LYS  71   4.352   3.014   7.006
  446    HD3  LYS  71           HD1      LYS  71   3.453   1.546   6.631
  447    HE2  LYS  71           HE2      LYS  71   4.960   1.111   8.460
  448    HE3  LYS  71           HE1      LYS  71   5.497   0.227   7.033
  449    HZ1  LYS  71           HZ1      LYS  71   6.632   2.793   8.007
  450    HZ2  LYS  71           HZ2      LYS  71   7.153   1.946   6.637
  451    HZ3  LYS  71           HZ3      LYS  71   7.347   1.271   8.173
  452    H    ASP  72           HN       ASP  72   4.685   5.610   2.988
  453    HA   ASP  72           HA       ASP  72   2.267   6.590   2.136
  454    HB2  ASP  72           HB2      ASP  72   5.034   7.741   1.860
  455    HB3  ASP  72           HB1      ASP  72   3.609   8.618   1.317
  456    H    SER  73           HN       SER  73   5.102   5.855   0.065
  457    HA   SER  73           HA       SER  73   4.016   6.868  -2.293
  458    HB2  SER  73           HB2      SER  73   6.412   6.334  -1.948
  459    HB3  SER  73           HB1      SER  73   6.015   4.616  -1.971
  460    HG   SER  73           HG       SER  73   5.491   6.420  -4.104
  461    H    ALA  74           HN       ALA  74   3.911   3.564  -0.965
  462    HA   ALA  74           HA       ALA  74   2.608   2.435  -3.234
  463    HB1  ALA  74           HB1      ALA  74   2.533   1.416  -0.396
  464    HB2  ALA  74           HB2      ALA  74   3.877   1.148  -1.511
  465    HB3  ALA  74           HB3      ALA  74   2.282   0.492  -1.880
  466    H    ALA  75           HN       ALA  75   1.502   3.676  -0.155
  467    HA   ALA  75           HA       ALA  75  -1.215   3.186  -0.279
  468    HB1  ALA  75           HB1      ALA  75  -1.504   5.082   1.221
  469    HB2  ALA  75           HB2      ALA  75   0.120   5.650   0.834
  470    HB3  ALA  75           HB3      ALA  75  -0.101   4.120   1.683
  471    H    VAL  76           HN       VAL  76   0.616   5.783  -1.883
  472    HA   VAL  76           HA       VAL  76  -1.598   7.330  -2.696
  473    HB   VAL  76           HB       VAL  76   1.096   7.073  -4.052
  474   HG11  VAL  76          HG11      VAL  76  -0.539   8.089  -5.527
  475   HG12  VAL  76          HG12      VAL  76   0.603   9.308  -4.961
  476   HG13  VAL  76          HG13      VAL  76  -1.013   9.221  -4.260
  477   HG21  VAL  76          HG21      VAL  76   1.711   9.072  -2.794
  478   HG22  VAL  76          HG22      VAL  76   1.303   7.738  -1.716
  479   HG23  VAL  76          HG23      VAL  76   0.148   9.044  -1.977
  480    H    LEU  77           HN       LEU  77   0.019   4.552  -4.115
  481    HA   LEU  77           HA       LEU  77  -1.400   4.650  -6.608
  482    HB2  LEU  77           HB2      LEU  77   0.109   2.381  -5.298
  483    HB3  LEU  77           HB1      LEU  77  -0.432   2.419  -6.961
  484    HG   LEU  77           HG       LEU  77   1.603   4.300  -5.773
  485   HD11  LEU  77          HD11      LEU  77   1.970   1.931  -7.599
  486   HD12  LEU  77          HD12      LEU  77   2.441   2.014  -5.903
  487   HD13  LEU  77          HD13      LEU  77   3.231   3.052  -7.089
  488   HD21  LEU  77          HD21      LEU  77   2.014   4.929  -8.106
  489   HD22  LEU  77          HD22      LEU  77   0.365   5.302  -7.607
  490   HD23  LEU  77          HD23      LEU  77   0.684   3.890  -8.615
  491    H    LEU  78           HN       LEU  78  -1.726   3.126  -3.516
  492    HA   LEU  78           HA       LEU  78  -3.840   1.358  -4.063
  493    HB2  LEU  78           HB2      LEU  78  -2.484   1.184  -2.086
  494    HB3  LEU  78           HB1      LEU  78  -2.968   2.781  -1.568
  495    HG   LEU  78           HG       LEU  78  -5.313   1.900  -1.356
  496   HD11  LEU  78          HD11      LEU  78  -5.624  -0.490  -1.235
  497   HD12  LEU  78          HD12      LEU  78  -3.921  -0.763  -1.596
  498   HD13  LEU  78          HD13      LEU  78  -4.980  -0.062  -2.819
  499   HD21  LEU  78          HD21      LEU  78  -3.651   2.227   0.503
  500   HD22  LEU  78          HD22      LEU  78  -3.268   0.511   0.365
  501   HD23  LEU  78          HD23      LEU  78  -4.897   1.016   0.819
  502    H    LEU  79           HN       LEU  79  -3.750   4.730  -3.018
  503    HA   LEU  79           HA       LEU  79  -6.484   5.152  -2.651
  504    HB2  LEU  79           HB2      LEU  79  -4.129   6.839  -3.176
  505    HB3  LEU  79           HB1      LEU  79  -5.667   7.548  -3.613
  506    HG   LEU  79           HG       LEU  79  -6.472   7.232  -1.311
  507   HD11  LEU  79          HD11      LEU  79  -3.686   6.211  -0.790
  508   HD12  LEU  79          HD12      LEU  79  -5.184   5.285  -0.681
  509   HD13  LEU  79          HD13      LEU  79  -4.878   6.605   0.448
  510   HD21  LEU  79          HD21      LEU  79  -5.068   8.932  -0.264
  511   HD22  LEU  79          HD22      LEU  79  -5.416   9.334  -1.945
  512   HD23  LEU  79          HD23      LEU  79  -3.837   8.683  -1.502
  513    H    GLU  80           HN       GLU  80  -4.587   4.958  -5.583
  514    HA   GLU  80           HA       GLU  80  -6.562   5.992  -7.345
  515    HB2  GLU  80           HB2      GLU  80  -4.283   4.066  -7.840
  516    HB3  GLU  80           HB1      GLU  80  -5.199   4.914  -9.090
  517    HG2  GLU  80           HG2      GLU  80  -3.662   6.326  -6.933
  518    HG3  GLU  80           HG1      GLU  80  -2.968   5.895  -8.489
  519    H    LEU  81           HN       LEU  81  -5.769   2.801  -6.110
  520    HA   LEU  81           HA       LEU  81  -7.506   1.282  -7.723
  521    HB2  LEU  81           HB2      LEU  81  -5.577   0.711  -5.941
  522    HB3  LEU  81           HB1      LEU  81  -6.982   0.461  -4.930
  523    HG   LEU  81           HG       LEU  81  -6.526  -0.920  -7.559
  524   HD11  LEU  81          HD11      LEU  81  -5.953  -2.888  -6.234
  525   HD12  LEU  81          HD12      LEU  81  -6.102  -1.939  -4.755
  526   HD13  LEU  81          HD13      LEU  81  -4.833  -1.562  -5.919
  527   HD21  LEU  81          HD21      LEU  81  -8.315  -2.410  -6.810
  528   HD22  LEU  81          HD22      LEU  81  -8.882  -0.744  -6.918
  529   HD23  LEU  81          HD23      LEU  81  -8.508  -1.448  -5.345
  530    H    LEU  82           HN       LEU  82  -7.831   2.524  -4.421
  531    HA   LEU  82           HA       LEU  82 -10.518   1.779  -4.060
  532    HB2  LEU  82           HB2      LEU  82  -8.461   3.292  -2.652
  533    HB3  LEU  82           HB1      LEU  82 -10.086   3.882  -2.355
  534    HG   LEU  82           HG       LEU  82 -10.776   1.834  -1.444
  535   HD11  LEU  82          HD11      LEU  82  -9.353  -0.175  -1.376
  536   HD12  LEU  82          HD12      LEU  82  -8.195   0.646  -2.428
  537   HD13  LEU  82          HD13      LEU  82  -9.821   0.286  -3.011
  538   HD21  LEU  82          HD21      LEU  82  -9.459   3.175   0.080
  539   HD22  LEU  82          HD22      LEU  82  -7.978   2.413  -0.498
  540   HD23  LEU  82          HD23      LEU  82  -9.171   1.462   0.387
  541    H    ASN  83           HN       ASN  83  -9.207   4.208  -5.979
  542    HA   ASN  83           HA       ASN  83 -11.534   5.951  -5.703
  543    HB2  ASN  83           HB2      ASN  83  -9.238   6.933  -5.862
  544    HB3  ASN  83           HB1      ASN  83  -9.115   6.283  -7.491
  545   HD21  ASN  83          HD21      ASN  83 -10.103   7.328  -9.151
  546   HD22  ASN  83          HD22      ASN  83 -10.937   8.830  -8.977
  547    H    LYS  84           HN       LYS  84 -10.606   3.253  -7.382
  548    HA   LYS  84           HA       LYS  84 -12.478   3.847  -9.565
  549    HB2  LYS  84           HB2      LYS  84  -9.881   2.322  -9.696
  550    HB3  LYS  84           HB1      LYS  84 -11.095   2.264 -10.965
  551    HG2  LYS  84           HG2      LYS  84  -9.836   4.809 -10.000
  552    HG3  LYS  84           HG1      LYS  84  -9.204   3.864 -11.348
  553    HD2  LYS  84           HD2      LYS  84 -11.968   5.069 -11.177
  554    HD3  LYS  84           HD1      LYS  84 -10.618   5.730 -12.099
  555    HE2  LYS  84           HE2      LYS  84 -11.961   3.065 -12.547
  556    HE3  LYS  84           HE1      LYS  84 -12.127   4.500 -13.554
  557    HZ1  LYS  84           HZ1      LYS  84 -10.566   2.936 -14.511
  558    HZ2  LYS  84           HZ2      LYS  84  -9.613   2.979 -13.116
  559    HZ3  LYS  84           HZ3      LYS  84  -9.771   4.360 -14.075
  560    H    THR  85           HN       THR  85 -13.301   2.783  -7.194
  561    HA   THR  85           HA       THR  85 -14.299   0.226  -8.090
  562    HB   THR  85           HB       THR  85 -12.274  -0.368  -6.805
  563    HG1  THR  85           HG1      THR  85 -14.519  -1.150  -5.260
  564   HG21  THR  85          HG21      THR  85 -13.707   0.868  -4.460
  565   HG22  THR  85          HG22      THR  85 -12.251   1.496  -5.230
  566   HG23  THR  85          HG23      THR  85 -12.205  -0.054  -4.388
  Start of MODEL   13
    1    H1   ASN  15           HT1      ASN  15  -4.156   3.777   3.865
    2    H2   ASN  15           HT2      ASN  15  -4.636   5.214   4.611
    3    H3   ASN  15           HT3      ASN  15  -5.476   4.648   3.258
    4    HA   ASN  15           HA       ASN  15  -6.189   2.702   4.494
    5    HB2  ASN  15           HB2      ASN  15  -5.822   2.631   6.930
    6    HB3  ASN  15           HB1      ASN  15  -4.303   2.577   6.046
    7   HD21  ASN  15          HD21      ASN  15  -4.773   3.345   8.791
    8   HD22  ASN  15          HD22      ASN  15  -4.215   4.977   8.951
    9    H    ASP  16           HN       ASP  16  -6.310   6.126   4.727
   10    HA   ASP  16           HA       ASP  16  -8.452   6.376   6.581
   11    HB2  ASP  16           HB2      ASP  16  -7.425   8.271   4.461
   12    HB3  ASP  16           HB1      ASP  16  -8.646   8.695   5.656
   13    H    ILE  17           HN       ILE  17  -8.290   6.210   3.055
   14    HA   ILE  17           HA       ILE  17 -11.028   6.594   2.555
   15    HB   ILE  17           HB       ILE  17  -8.936   5.106   0.966
   16   HG12  ILE  17          HG12      ILE  17  -9.328   7.093  -0.578
   17   HG13  ILE  17          HG11      ILE  17 -10.234   7.812   0.744
   18   HG21  ILE  17          HG21      ILE  17 -11.101   4.124   0.451
   19   HG22  ILE  17          HG22      ILE  17 -10.523   5.090  -0.907
   20   HG23  ILE  17          HG23      ILE  17 -11.776   5.728   0.158
   21   HD11  ILE  17          HD11      ILE  17  -7.347   7.005   0.865
   22   HD12  ILE  17          HD12      ILE  17  -8.278   7.793   2.140
   23   HD13  ILE  17          HD13      ILE  17  -7.952   8.645   0.630
   24    H    CYS  18           HN       CYS  18  -9.099   3.697   2.949
   25    HA   CYS  18           HA       CYS  18 -11.005   1.725   2.619
   26    HB2  CYS  18           HB2      CYS  18  -8.776   1.565   4.639
   27    HB3  CYS  18           HB1      CYS  18  -9.426   0.277   3.631
   28    HG   CYS  18           HG       CYS  18  -8.253   1.041   1.308
   29    H    LEU  19           HN       LEU  19 -10.115   3.558   5.467
   30    HA   LEU  19           HA       LEU  19 -11.677   2.241   7.386
   31    HB2  LEU  19           HB2      LEU  19  -9.891   3.831   7.872
   32    HB3  LEU  19           HB1      LEU  19 -10.835   5.123   7.181
   33    HG   LEU  19           HG       LEU  19 -12.508   4.854   8.973
   34   HD11  LEU  19          HD11      LEU  19 -12.174   2.495   9.467
   35   HD12  LEU  19          HD12      LEU  19 -11.978   3.473  10.922
   36   HD13  LEU  19          HD13      LEU  19 -10.560   2.842  10.087
   37   HD21  LEU  19          HD21      LEU  19  -9.675   5.253   9.916
   38   HD22  LEU  19          HD22      LEU  19 -11.123   5.760  10.785
   39   HD23  LEU  19          HD23      LEU  19 -10.730   6.483   9.225
   40    H    ARG  20           HN       ARG  20 -12.299   5.191   5.524
   41    HA   ARG  20           HA       ARG  20 -14.899   5.662   6.473
   42    HB2  ARG  20           HB2      ARG  20 -13.315   7.206   5.142
   43    HB3  ARG  20           HB1      ARG  20 -14.000   6.435   3.715
   44    HG2  ARG  20           HG2      ARG  20 -15.226   8.426   4.075
   45    HG3  ARG  20           HG1      ARG  20 -16.260   7.083   4.572
   46    HD2  ARG  20           HD2      ARG  20 -15.631   7.459   6.904
   47    HD3  ARG  20           HD1      ARG  20 -14.609   8.805   6.412
   48    HE   ARG  20           HE       ARG  20 -17.350   9.084   5.594
   49   HH11  ARG  20          HH11      ARG  20 -15.055   9.590   8.182
   50   HH12  ARG  20          HH12      ARG  20 -15.985  10.842   8.940
   51   HH21  ARG  20          HH21      ARG  20 -18.595  10.725   6.599
   52   HH22  ARG  20          HH22      ARG  20 -18.001  11.485   8.041
   53    H    LYS  21           HN       LYS  21 -13.708   3.596   3.947
   54    HA   LYS  21           HA       LYS  21 -16.196   3.081   2.666
   55    HB2  LYS  21           HB2      LYS  21 -13.500   1.785   2.644
   56    HB3  LYS  21           HB1      LYS  21 -14.862   1.054   1.801
   57    HG2  LYS  21           HG2      LYS  21 -13.746   3.809   1.332
   58    HG3  LYS  21           HG1      LYS  21 -13.546   2.400   0.288
   59    HD2  LYS  21           HD2      LYS  21 -16.188   3.647   0.998
   60    HD3  LYS  21           HD1      LYS  21 -15.308   3.947  -0.481
   61    HE2  LYS  21           HE2      LYS  21 -15.441   1.553  -1.027
   62    HE3  LYS  21           HE1      LYS  21 -16.373   1.291   0.445
   63    HZ1  LYS  21           HZ1      LYS  21 -17.185   3.006  -1.834
   64    HZ2  LYS  21           HZ2      LYS  21 -18.080   2.757  -0.425
   65    HZ3  LYS  21           HZ3      LYS  21 -17.802   1.471  -1.487
   66    H    ASN  22           HN       ASN  22 -15.335   2.389   5.677
   67    HA   ASN  22           HA       ASN  22 -16.061   1.007   7.312
   68    HB2  ASN  22           HB2      ASN  22 -18.262   1.503   6.118
   69    HB3  ASN  22           HB1      ASN  22 -18.082  -0.059   5.340
   70   HD21  ASN  22          HD21      ASN  22 -18.495  -1.911   6.502
   71   HD22  ASN  22          HD22      ASN  22 -19.157  -1.900   8.099
   72    H    TRP  23           HN       TRP  23 -13.933   0.209   5.669
   73    HA   TRP  23           HA       TRP  23 -14.226  -2.712   5.568
   74    HB2  TRP  23           HB2      TRP  23 -12.096  -0.881   4.429
   75    HB3  TRP  23           HB1      TRP  23 -12.041  -2.635   4.342
   76    HD1  TRP  23           HD1      TRP  23 -15.263  -2.865   3.571
   77    HE1  TRP  23           HE1      TRP  23 -15.902  -2.361   1.121
   78    HE3  TRP  23           HE3      TRP  23 -11.143  -0.174   2.186
   79    HZ2  TRP  23           HZ2      TRP  23 -14.791  -1.022  -1.098
   80    HZ3  TRP  23           HZ3      TRP  23 -11.014   0.679  -0.109
   81    HH2  TRP  23           HH2      TRP  23 -12.793   0.263  -1.717
   82    HA   PRO  24           HA       PRO  24 -11.495  -3.176   9.090
   83    HB2  PRO  24           HB2      PRO  24 -10.002  -5.314   8.305
   84    HB3  PRO  24           HB1      PRO  24 -11.641  -5.448   8.944
   85    HG2  PRO  24           HG2      PRO  24 -10.699  -5.504   6.118
   86    HG3  PRO  24           HG1      PRO  24 -11.954  -6.478   6.903
   87    HD2  PRO  24           HD2      PRO  24 -12.532  -4.359   5.321
   88    HD3  PRO  24           HD1      PRO  24 -13.543  -4.821   6.702
   89    H    MET  25           HN       MET  25  -8.977  -3.555   9.453
   90    HA   MET  25           HA       MET  25  -7.766  -1.312   8.197
   91    HB2  MET  25           HB2      MET  25  -6.618  -3.394  10.049
   92    HB3  MET  25           HB1      MET  25  -5.836  -1.882   9.611
   93    HG2  MET  25           HG2      MET  25  -8.529  -1.954  10.922
   94    HG3  MET  25           HG1      MET  25  -7.038  -1.999  11.849
   95    HE1  MET  25           HE1      MET  25  -8.693   0.151   8.846
   96    HE2  MET  25           HE2      MET  25  -8.927   1.624   9.779
   97    HE3  MET  25           HE3      MET  25  -9.713   0.127  10.281
   98    HA   PRO  26           HA       PRO  26  -6.127  -3.435   4.662
   99    HB2  PRO  26           HB2      PRO  26  -4.258  -1.169   4.539
  100    HB3  PRO  26           HB1      PRO  26  -5.437  -1.718   3.347
  101    HG2  PRO  26           HG2      PRO  26  -5.794   0.536   4.768
  102    HG3  PRO  26           HG1      PRO  26  -7.148  -0.495   4.272
  103    HD2  PRO  26           HD2      PRO  26  -5.838  -0.235   6.941
  104    HD3  PRO  26           HD1      PRO  26  -7.548  -0.487   6.536
  105    H    SER  27           HN       SER  27  -4.145  -4.342   3.975
  106    HA   SER  27           HA       SER  27  -2.379  -4.999   6.189
  107    HB2  SER  27           HB2      SER  27  -3.329  -6.716   4.581
  108    HB3  SER  27           HB1      SER  27  -2.279  -6.020   3.355
  109    HG   SER  27           HG       SER  27  -1.611  -7.464   5.673
  110    H    TYR  28           HN       TYR  28  -0.197  -4.516   6.256
  111    HA   TYR  28           HA       TYR  28   0.926  -2.984   4.065
  112    HB2  TYR  28           HB2      TYR  28   0.793  -2.063   6.938
  113    HB3  TYR  28           HB1      TYR  28   1.990  -1.443   5.812
  114    HD1  TYR  28           HD2      TYR  28  -1.610  -1.543   6.617
  115    HD2  TYR  28           HD1      TYR  28   1.393   0.149   4.125
  116    HE1  TYR  28           HE2      TYR  28  -3.215   0.155   5.846
  117    HE2  TYR  28           HE1      TYR  28  -0.194   1.848   3.338
  118    HH   TYR  28           HH       TYR  28  -2.497   2.289   3.196
  119    H    ARG  29           HN       ARG  29   2.699  -4.160   3.518
  120    HA   ARG  29           HA       ARG  29   4.261  -5.430   5.641
  121    HB2  ARG  29           HB2      ARG  29   2.741  -7.138   4.854
  122    HB3  ARG  29           HB1      ARG  29   3.154  -6.780   3.186
  123    HG2  ARG  29           HG2      ARG  29   5.479  -7.511   3.667
  124    HG3  ARG  29           HG1      ARG  29   4.936  -8.012   5.267
  125    HD2  ARG  29           HD2      ARG  29   3.903  -9.041   2.636
  126    HD3  ARG  29           HD1      ARG  29   4.987  -9.897   3.726
  127    HE   ARG  29           HE       ARG  29   2.947  -9.532   5.343
  128   HH11  ARG  29          HH11      ARG  29   2.887 -10.389   1.952
  129   HH12  ARG  29          HH12      ARG  29   1.443 -11.343   2.088
  130   HH21  ARG  29          HH21      ARG  29   1.021 -10.766   5.519
  131   HH22  ARG  29          HH22      ARG  29   0.395 -11.565   4.111
  132    H    CYS  30           HN       CYS  30   6.299  -4.751   5.410
  133    HA   CYS  30           HA       CYS  30   7.316  -3.521   3.097
  134    HB2  CYS  30           HB2      CYS  30   8.780  -4.786   5.418
  135    HB3  CYS  30           HB1      CYS  30   9.534  -3.770   4.194
  136    HG   CYS  30           HG       CYS  30   7.491  -2.882   6.750
  137    H    VAL  31           HN       VAL  31   7.843  -4.392   1.226
  138    HA   VAL  31           HA       VAL  31   8.007  -7.280   1.009
  139    HB   VAL  31           HB       VAL  31   7.986  -5.154  -1.143
  140   HG11  VAL  31          HG11      VAL  31   7.553  -6.990  -2.698
  141   HG12  VAL  31          HG12      VAL  31   7.729  -8.151  -1.383
  142   HG13  VAL  31          HG13      VAL  31   9.111  -7.185  -1.897
  143   HG21  VAL  31          HG21      VAL  31   5.901  -5.268   0.119
  144   HG22  VAL  31          HG22      VAL  31   5.805  -7.003  -0.183
  145   HG23  VAL  31          HG23      VAL  31   5.682  -5.865  -1.526
  146    H    LYS  32           HN       LYS  32  10.047  -4.419   0.388
  147    HA   LYS  32           HA       LYS  32  12.350  -6.219   0.341
  148    HB2  LYS  32           HB2      LYS  32  11.659  -5.711  -2.007
  149    HB3  LYS  32           HB1      LYS  32  11.975  -4.018  -1.682
  150    HG2  LYS  32           HG2      LYS  32  13.872  -4.886  -2.804
  151    HG3  LYS  32           HG1      LYS  32  14.328  -4.658  -1.117
  152    HD2  LYS  32           HD2      LYS  32  13.976  -7.037  -0.694
  153    HD3  LYS  32           HD1      LYS  32  13.486  -7.270  -2.372
  154    HE2  LYS  32           HE2      LYS  32  15.769  -7.966  -2.139
  155    HE3  LYS  32           HE1      LYS  32  15.727  -6.477  -3.081
  156    HZ1  LYS  32           HZ1      LYS  32  16.393  -6.698  -0.199
  157    HZ2  LYS  32           HZ2      LYS  32  16.319  -5.251  -1.066
  158    HZ3  LYS  32           HZ3      LYS  32  17.489  -6.409  -1.452
  159    H    GLU  33           HN       GLU  33  13.889  -5.526   1.572
  160    HA   GLU  33           HA       GLU  33  14.006  -2.704   2.382
  161    HB2  GLU  33           HB2      GLU  33  13.995  -4.601   4.087
  162    HB3  GLU  33           HB1      GLU  33  15.606  -5.001   3.520
  163    HG2  GLU  33           HG2      GLU  33  15.090  -2.216   4.404
  164    HG3  GLU  33           HG1      GLU  33  15.193  -3.475   5.630
  165    H    GLY  34           HN       GLY  34  16.198  -1.615   2.354
  166    HA2  GLY  34           HA2      GLY  34  17.210  -1.950  -0.279
  167    HA3  GLY  34           HA1      GLY  34  17.799  -0.823   0.927
  168    H    GLY  35           HN       GLY  35  19.031  -2.020   2.795
  169    HA2  GLY  35           HA2      GLY  35  20.671  -3.926   3.007
  170    HA3  GLY  35           HA1      GLY  35  21.009  -3.631   1.320
  171    HA   PRO  36           HA       PRO  36  24.416  -1.239   3.002
  172    HB2  PRO  36           HB2      PRO  36  24.940  -0.892   0.118
  173    HB3  PRO  36           HB1      PRO  36  25.982  -1.549   1.380
  174    HG2  PRO  36           HG2      PRO  36  24.870  -3.135  -0.464
  175    HG3  PRO  36           HG1      PRO  36  25.078  -3.670   1.215
  176    HD2  PRO  36           HD2      PRO  36  22.612  -2.680  -0.161
  177    HD3  PRO  36           HD1      PRO  36  22.794  -4.019   0.995
  178    H    ALA  37           HN       ALA  37  25.457   0.883   1.570
  179    HA   ALA  37           HA       ALA  37  23.475   2.887   2.127
  180    HB1  ALA  37           HB1      ALA  37  26.243   3.232   0.996
  181    HB2  ALA  37           HB2      ALA  37  25.837   3.202   2.710
  182    HB3  ALA  37           HB3      ALA  37  25.223   4.494   1.681
  183    H    HIS  38           HN       HIS  38  25.169   1.791  -0.813
  184    HA   HIS  38           HA       HIS  38  23.904   3.713  -2.487
  185    HB2  HIS  38           HB2      HIS  38  24.782   2.442  -4.370
  186    HB3  HIS  38           HB1      HIS  38  26.025   2.668  -3.149
  187    HD1  HIS  38           HD1      HIS  38  27.040   0.563  -2.115
  188    HD2  HIS  38           HD2      HIS  38  23.844  -0.213  -4.650
  189    HE1  HIS  38           HE1      HIS  38  27.040  -1.927  -2.459
  190    HE2  HIS  38           HE2      HIS  38  24.983  -2.386  -3.839
  191    H    ALA  39           HN       ALA  39  23.000   0.627  -1.297
  192    HA   ALA  39           HA       ALA  39  20.513   0.808  -2.850
  193    HB1  ALA  39           HB1      ALA  39  20.341  -1.640  -2.726
  194    HB2  ALA  39           HB2      ALA  39  21.910  -1.704  -1.927
  195    HB3  ALA  39           HB3      ALA  39  21.793  -1.135  -3.592
  196    H    LYS  40           HN       LYS  40  19.371   1.910  -1.300
  197    HA   LYS  40           HA       LYS  40  19.021   0.540   1.256
  198    HB2  LYS  40           HB2      LYS  40  20.479   2.583   1.520
  199    HB3  LYS  40           HB1      LYS  40  19.096   3.547   1.020
  200    HG2  LYS  40           HG2      LYS  40  19.211   3.563   3.404
  201    HG3  LYS  40           HG1      LYS  40  17.817   2.607   2.921
  202    HD2  LYS  40           HD2      LYS  40  19.198   0.560   3.220
  203    HD3  LYS  40           HD1      LYS  40  20.494   1.579   3.848
  204    HE2  LYS  40           HE2      LYS  40  17.733   1.257   5.009
  205    HE3  LYS  40           HE1      LYS  40  19.231   0.611   5.674
  206    HZ1  LYS  40           HZ1      LYS  40  18.519   2.632   6.799
  207    HZ2  LYS  40           HZ2      LYS  40  18.606   3.496   5.353
  208    HZ3  LYS  40           HZ3      LYS  40  20.012   2.853   6.041
  209    H    ARG  41           HN       ARG  41  17.610   0.628  -1.318
  210    HA   ARG  41           HA       ARG  41  15.388   2.423  -1.021
  211    HB2  ARG  41           HB2      ARG  41  14.575   1.150  -3.087
  212    HB3  ARG  41           HB1      ARG  41  16.058   2.079  -3.252
  213    HG2  ARG  41           HG2      ARG  41  17.398   0.156  -3.237
  214    HG3  ARG  41           HG1      ARG  41  16.106  -0.843  -2.577
  215    HD2  ARG  41           HD2      ARG  41  15.988   0.434  -5.299
  216    HD3  ARG  41           HD1      ARG  41  16.623  -1.186  -5.016
  217    HE   ARG  41           HE       ARG  41  14.008  -0.844  -3.919
  218   HH11  ARG  41          HH11      ARG  41  15.751  -1.496  -6.881
  219   HH12  ARG  41          HH12      ARG  41  14.424  -2.328  -7.630
  220   HH21  ARG  41          HH21      ARG  41  12.247  -1.933  -4.901
  221   HH22  ARG  41          HH22      ARG  41  12.428  -2.556  -6.515
  222    H    PHE  42           HN       PHE  42  13.386   1.978  -0.413
  223    HA   PHE  42           HA       PHE  42  12.830  -0.723   0.587
  224    HB2  PHE  42           HB2      PHE  42  11.655   1.945   1.394
  225    HB3  PHE  42           HB1      PHE  42  11.128   0.389   2.026
  226    HD1  PHE  42           HD2      PHE  42  13.978   2.723   1.851
  227    HD2  PHE  42           HD1      PHE  42  12.271  -0.656   3.769
  228    HE1  PHE  42           HE2      PHE  42  15.690   2.868   3.610
  229    HE2  PHE  42           HE1      PHE  42  13.972  -0.523   5.547
  230    HZ   PHE  42           HZ       PHE  42  15.716   1.245   5.439
  231    H    THR  43           HN       THR  43  11.204  -1.819  -0.252
  232    HA   THR  43           HA       THR  43   9.295  -0.418  -1.993
  233    HB   THR  43           HB       THR  43  10.557  -3.105  -2.608
  234    HG1  THR  43           HG1      THR  43  11.330  -0.503  -3.146
  235   HG21  THR  43          HG21      THR  43   8.318  -2.846  -3.528
  236   HG22  THR  43          HG22      THR  43   9.518  -2.774  -4.815
  237   HG23  THR  43          HG23      THR  43   8.766  -1.292  -4.231
  238    H    PHE  44           HN       PHE  44   7.198  -0.888  -1.449
  239    HA   PHE  44           HA       PHE  44   6.681  -3.347   0.021
  240    HB2  PHE  44           HB2      PHE  44   6.658  -2.172   1.955
  241    HB3  PHE  44           HB1      PHE  44   6.726  -0.633   1.108
  242    HD1  PHE  44           HD2      PHE  44   4.403  -3.325   2.128
  243    HD2  PHE  44           HD1      PHE  44   4.879   0.762   1.080
  244    HE1  PHE  44           HE2      PHE  44   2.088  -2.873   2.820
  245    HE2  PHE  44           HE1      PHE  44   2.573   1.221   1.783
  246    HZ   PHE  44           HZ       PHE  44   1.132  -0.614   2.490
  247    H    GLY  45           HN       GLY  45   4.405  -3.940  -0.001
  248    HA2  GLY  45           HA2      GLY  45   2.831  -2.497  -2.038
  249    HA3  GLY  45           HA1      GLY  45   2.954  -4.251  -2.064
  250    H    VAL  46           HN       VAL  46   0.674  -2.274  -1.650
  251    HA   VAL  46           HA       VAL  46  -0.194  -3.030   1.078
  252    HB   VAL  46           HB       VAL  46  -1.813  -1.114  -0.474
  253   HG11  VAL  46          HG11      VAL  46  -2.435  -1.631   1.763
  254   HG12  VAL  46          HG12      VAL  46  -1.880   0.043   1.711
  255   HG13  VAL  46          HG13      VAL  46  -0.829  -1.214   2.359
  256   HG21  VAL  46          HG21      VAL  46   0.924  -0.348   0.501
  257   HG22  VAL  46          HG22      VAL  46  -0.341   0.798   0.064
  258   HG23  VAL  46          HG23      VAL  46   0.323  -0.289  -1.155
  259    H    ARG  47           HN       ARG  47  -2.460  -3.696   1.359
  260    HA   ARG  47           HA       ARG  47  -4.008  -4.160  -1.033
  261    HB2  ARG  47           HB2      ARG  47  -4.527  -6.510  -0.287
  262    HB3  ARG  47           HB1      ARG  47  -2.890  -6.284  -0.887
  263    HG2  ARG  47           HG2      ARG  47  -2.134  -6.105   1.482
  264    HG3  ARG  47           HG1      ARG  47  -3.770  -6.521   1.976
  265    HD2  ARG  47           HD2      ARG  47  -3.591  -8.629   0.736
  266    HD3  ARG  47           HD1      ARG  47  -1.934  -8.218   0.297
  267    HE   ARG  47           HE       ARG  47  -1.722  -8.105   2.913
  268   HH11  ARG  47          HH11      ARG  47  -3.397 -10.457   0.941
  269   HH12  ARG  47          HH12      ARG  47  -3.248 -11.736   2.102
  270   HH21  ARG  47          HH21      ARG  47  -1.526  -9.788   4.462
  271   HH22  ARG  47          HH22      ARG  47  -2.185 -11.355   4.108
  272    H    VAL  48           HN       VAL  48  -6.230  -4.226  -0.589
  273    HA   VAL  48           HA       VAL  48  -6.958  -3.563   2.207
  274    HB   VAL  48           HB       VAL  48  -8.255  -2.415  -0.267
  275   HG11  VAL  48          HG11      VAL  48  -8.570  -1.769   2.656
  276   HG12  VAL  48          HG12      VAL  48  -9.777  -2.487   1.587
  277   HG13  VAL  48          HG13      VAL  48  -9.257  -0.821   1.335
  278   HG21  VAL  48          HG21      VAL  48  -7.156  -0.295   0.394
  279   HG22  VAL  48          HG22      VAL  48  -6.030  -1.544  -0.133
  280   HG23  VAL  48          HG23      VAL  48  -6.220  -1.197   1.585
  281    H    ASN  49           HN       ASN  49  -9.176  -4.090   2.818
  282    HA   ASN  49           HA       ASN  49 -10.069  -6.542   1.504
  283    HB2  ASN  49           HB2      ASN  49  -9.692  -6.497   3.985
  284    HB3  ASN  49           HB1      ASN  49 -11.024  -5.352   4.111
  285   HD21  ASN  49          HD21      ASN  49 -13.140  -6.064   3.703
  286   HD22  ASN  49          HD22      ASN  49 -13.548  -7.746   3.721
  287    H    THR  50           HN       THR  50 -10.939  -5.540  -0.249
  288    HA   THR  50           HA       THR  50 -13.151  -3.666   0.043
  289    HB   THR  50           HB       THR  50 -13.511  -3.960  -2.415
  290    HG1  THR  50           HG1      THR  50 -11.517  -5.896  -2.012
  291   HG21  THR  50          HG21      THR  50 -12.134  -2.159  -1.579
  292   HG22  THR  50          HG22      THR  50 -11.444  -2.794  -3.074
  293   HG23  THR  50          HG23      THR  50 -10.730  -3.222  -1.518
  294    H    SER  51           HN       SER  51 -14.892  -4.325   0.914
  295    HA   SER  51           HA       SER  51 -15.780  -6.817   1.451
  296    HB2  SER  51           HB2      SER  51 -17.364  -4.324   0.879
  297    HB3  SER  51           HB1      SER  51 -18.050  -5.759   1.649
  298    HG   SER  51           HG       SER  51 -16.113  -5.417   3.146
  299    H    ASP  52           HN       ASP  52 -16.284  -5.091  -1.573
  300    HA   ASP  52           HA       ASP  52 -18.257  -6.743  -2.671
  301    HB2  ASP  52           HB2      ASP  52 -17.478  -5.829  -4.868
  302    HB3  ASP  52           HB1      ASP  52 -17.856  -4.615  -3.652
  303    H    ARG  53           HN       ARG  53 -14.707  -7.100  -2.706
  304    HA   ARG  53           HA       ARG  53 -15.092  -9.686  -4.067
  305    HB2  ARG  53           HB2      ARG  53 -12.976  -7.615  -4.659
  306    HB3  ARG  53           HB1      ARG  53 -12.910  -9.269  -5.241
  307    HG2  ARG  53           HG2      ARG  53 -14.970  -8.928  -6.494
  308    HG3  ARG  53           HG1      ARG  53 -15.062  -7.272  -5.887
  309    HD2  ARG  53           HD2      ARG  53 -12.883  -6.802  -6.944
  310    HD3  ARG  53           HD1      ARG  53 -12.879  -8.432  -7.614
  311    HE   ARG  53           HE       ARG  53 -15.222  -7.389  -8.495
  312   HH11  ARG  53          HH11      ARG  53 -11.900  -6.300  -8.638
  313   HH12  ARG  53          HH12      ARG  53 -12.108  -5.452 -10.137
  314   HH21  ARG  53          HH21      ARG  53 -15.504  -6.265 -10.457
  315   HH22  ARG  53          HH22      ARG  53 -14.170  -5.415 -11.164
  316    H    GLY  54           HN       GLY  54 -13.150  -7.724  -1.915
  317    HA2  GLY  54           HA2      GLY  54 -12.395  -8.901   0.127
  318    HA3  GLY  54           HA1      GLY  54 -11.810 -10.151  -0.949
  319    H    TRP  55           HN       TRP  55  -9.736  -9.984  -0.173
  320    HA   TRP  55           HA       TRP  55  -8.132  -7.755  -0.003
  321    HB2  TRP  55           HB2      TRP  55  -7.600 -10.620  -0.603
  322    HB3  TRP  55           HB1      TRP  55  -6.298  -9.475  -0.885
  323    HD1  TRP  55           HD1      TRP  55  -7.031 -11.808   1.595
  324    HE1  TRP  55           HE1      TRP  55  -6.308 -11.078   3.954
  325    HE3  TRP  55           HE3      TRP  55  -6.546  -6.796   0.779
  326    HZ2  TRP  55           HZ2      TRP  55  -5.607  -8.682   5.273
  327    HZ3  TRP  55           HZ3      TRP  55  -5.845  -5.361   2.643
  328    HH2  TRP  55           HH2      TRP  55  -5.401  -6.279   4.847
  329    H    THR  56           HN       THR  56  -7.649  -6.234  -1.381
  330    HA   THR  56           HA       THR  56  -8.097  -6.388  -4.182
  331    HB   THR  56           HB       THR  56  -6.961  -4.192  -4.278
  332    HG1  THR  56           HG1      THR  56  -5.457  -3.992  -2.788
  333   HG21  THR  56          HG21      THR  56  -8.901  -4.448  -1.980
  334   HG22  THR  56          HG22      THR  56  -9.333  -4.290  -3.684
  335   HG23  THR  56          HG23      THR  56  -8.524  -2.962  -2.852
  336    H    ASP  57           HN       ASP  57  -6.368  -5.898  -5.807
  337    HA   ASP  57           HA       ASP  57  -4.193  -7.699  -5.596
  338    HB2  ASP  57           HB2      ASP  57  -3.500  -6.981  -7.722
  339    HB3  ASP  57           HB1      ASP  57  -5.242  -6.801  -7.754
  340    H    GLU  58           HN       GLU  58  -2.204  -7.429  -4.935
  341    HA   GLU  58           HA       GLU  58  -1.726  -5.397  -3.059
  342    HB2  GLU  58           HB2      GLU  58  -0.844  -7.666  -2.883
  343    HB3  GLU  58           HB1      GLU  58   0.232  -7.364  -4.233
  344    HG2  GLU  58           HG2      GLU  58   1.434  -5.724  -2.953
  345    HG3  GLU  58           HG1      GLU  58   0.276  -5.856  -1.629
  346    H    CYS  59           HN       CYS  59  -1.146  -3.452  -3.378
  347    HA   CYS  59           HA       CYS  59  -0.062  -2.649  -5.978
  348    HB2  CYS  59           HB2      CYS  59  -1.243  -0.958  -3.766
  349    HB3  CYS  59           HB1      CYS  59  -0.786  -0.390  -5.369
  350    HG   CYS  59           HG       CYS  59  -3.016  -2.924  -5.277
  351    H    ILE  60           HN       ILE  60   2.087  -2.697  -6.024
  352    HA   ILE  60           HA       ILE  60   3.629  -2.098  -3.655
  353    HB   ILE  60           HB       ILE  60   4.329  -3.225  -6.350
  354   HG12  ILE  60          HG12      ILE  60   5.242  -5.057  -4.924
  355   HG13  ILE  60          HG11      ILE  60   4.669  -4.192  -3.508
  356   HG21  ILE  60          HG21      ILE  60   6.679  -3.288  -5.642
  357   HG22  ILE  60          HG22      ILE  60   6.260  -2.313  -4.232
  358   HG23  ILE  60          HG23      ILE  60   6.081  -1.643  -5.854
  359   HD11  ILE  60          HD11      ILE  60   2.387  -4.390  -4.323
  360   HD12  ILE  60          HD12      ILE  60   3.156  -5.961  -4.079
  361   HD13  ILE  60          HD13      ILE  60   2.973  -5.311  -5.710
  362    H    GLY  61           HN       GLY  61   4.693  -0.338  -3.261
  363    HA2  GLY  61           HA2      GLY  61   4.450   1.941  -5.050
  364    HA3  GLY  61           HA1      GLY  61   5.124   1.954  -3.425
  365    H    GLU  62           HN       GLU  62   6.652   3.401  -4.785
  366    HA   GLU  62           HA       GLU  62   8.518   1.862  -6.411
  367    HB2  GLU  62           HB2      GLU  62   9.385   3.964  -7.164
  368    HB3  GLU  62           HB1      GLU  62   7.630   4.015  -7.254
  369    HG2  GLU  62           HG2      GLU  62   7.553   5.241  -5.170
  370    HG3  GLU  62           HG1      GLU  62   9.309   5.172  -5.071
  371    HA   PRO  63           HA       PRO  63  11.918   1.525  -3.571
  372    HB2  PRO  63           HB2      PRO  63  13.430   3.079  -5.626
  373    HB3  PRO  63           HB1      PRO  63  13.861   1.566  -4.823
  374    HG2  PRO  63           HG2      PRO  63  12.976   1.567  -7.328
  375    HG3  PRO  63           HG1      PRO  63  12.493   0.294  -6.191
  376    HD2  PRO  63           HD2      PRO  63  10.931   2.603  -7.225
  377    HD3  PRO  63           HD1      PRO  63  10.383   0.984  -6.758
  378    H    MET  64           HN       MET  64  11.508   2.859  -1.829
  379    HA   MET  64           HA       MET  64  12.094   5.720  -2.154
  380    HB2  MET  64           HB2      MET  64  10.466   4.273  -0.063
  381    HB3  MET  64           HB1      MET  64  10.782   6.003  -0.071
  382    HG2  MET  64           HG2      MET  64   9.311   4.478  -2.207
  383    HG3  MET  64           HG1      MET  64   8.580   5.473  -0.954
  384    HE1  MET  64           HE1      MET  64   8.488   8.087  -0.977
  385    HE2  MET  64           HE2      MET  64   9.620   9.062  -1.913
  386    HE3  MET  64           HE3      MET  64  10.220   7.974  -0.664
  387    HA   PRO  65           HA       PRO  65  15.669   5.067   0.357
  388    HB2  PRO  65           HB2      PRO  65  16.258   7.590   1.046
  389    HB3  PRO  65           HB1      PRO  65  16.390   7.020  -0.623
  390    HG2  PRO  65           HG2      PRO  65  14.221   8.629   0.665
  391    HG3  PRO  65           HG1      PRO  65  14.960   8.822  -0.935
  392    HD2  PRO  65           HD2      PRO  65  12.554   7.571  -0.488
  393    HD3  PRO  65           HD1      PRO  65  13.603   7.244  -1.881
  394    H    SER  66           HN       SER  66  12.778   5.468   1.749
  395    HA   SER  66           HA       SER  66  13.856   5.098   4.394
  396    HB2  SER  66           HB2      SER  66  13.616   7.477   4.494
  397    HB3  SER  66           HB1      SER  66  12.067   7.424   3.659
  398    HG   SER  66           HG       SER  66  12.123   7.686   6.071
  399    H    VAL  67           HN       VAL  67  12.445   3.918   5.678
  400    HA   VAL  67           HA       VAL  67  10.657   2.300   4.144
  401    HB   VAL  67           HB       VAL  67  12.124   1.494   6.045
  402   HG11  VAL  67          HG11      VAL  67   9.910   2.646   7.729
  403   HG12  VAL  67          HG12      VAL  67  11.589   3.183   7.698
  404   HG13  VAL  67          HG13      VAL  67  11.188   1.575   8.300
  405   HG21  VAL  67          HG21      VAL  67  10.434   0.118   4.997
  406   HG22  VAL  67          HG22      VAL  67   9.204   0.769   6.080
  407   HG23  VAL  67          HG23      VAL  67  10.520  -0.213   6.727
  408    H    LYS  68           HN       LYS  68  10.327   5.085   6.135
  409    HA   LYS  68           HA       LYS  68   7.521   4.825   6.616
  410    HB2  LYS  68           HB2      LYS  68   9.256   7.304   6.595
  411    HB3  LYS  68           HB1      LYS  68   7.627   7.197   7.247
  412    HG2  LYS  68           HG2      LYS  68  10.042   5.722   8.276
  413    HG3  LYS  68           HG1      LYS  68   9.295   7.138   9.014
  414    HD2  LYS  68           HD2      LYS  68   7.220   5.856   9.328
  415    HD3  LYS  68           HD1      LYS  68   8.003   4.438   8.627
  416    HE2  LYS  68           HE2      LYS  68   8.032   4.291  11.045
  417    HE3  LYS  68           HE1      LYS  68   9.673   4.491  10.432
  418    HZ1  LYS  68           HZ1      LYS  68   9.580   6.825  11.011
  419    HZ2  LYS  68           HZ2      LYS  68   9.239   5.883  12.373
  420    HZ3  LYS  68           HZ3      LYS  68   7.986   6.664  11.553
  421    H    LYS  69           HN       LYS  69   9.541   6.309   4.148
  422    HA   LYS  69           HA       LYS  69   7.364   7.547   2.751
  423    HB2  LYS  69           HB2      LYS  69  10.141   6.935   1.722
  424    HB3  LYS  69           HB1      LYS  69   9.003   8.101   1.062
  425    HG2  LYS  69           HG2      LYS  69   9.172   9.415   3.111
  426    HG3  LYS  69           HG1      LYS  69  10.329   8.247   3.749
  427    HD2  LYS  69           HD2      LYS  69  11.578  10.091   2.901
  428    HD3  LYS  69           HD1      LYS  69  11.786   8.751   1.773
  429    HE2  LYS  69           HE2      LYS  69  11.434  10.794   0.541
  430    HE3  LYS  69           HE1      LYS  69  10.042   9.738   0.331
  431    HZ1  LYS  69           HZ1      LYS  69   8.846  11.038   1.971
  432    HZ2  LYS  69           HZ2      LYS  69   9.380  12.027   0.710
  433    HZ3  LYS  69           HZ3      LYS  69  10.188  12.046   2.196
  434    H    ALA  70           HN       ALA  70   8.917   4.471   2.791
  435    HA   ALA  70           HA       ALA  70   8.213   3.431   0.307
  436    HB1  ALA  70           HB1      ALA  70   9.684   2.253   1.851
  437    HB2  ALA  70           HB2      ALA  70   8.330   1.228   1.372
  438    HB3  ALA  70           HB3      ALA  70   8.336   1.998   2.959
  439    H    LYS  71           HN       LYS  71   6.453   3.193   3.393
  440    HA   LYS  71           HA       LYS  71   4.102   2.061   2.560
  441    HB2  LYS  71           HB2      LYS  71   4.400   4.257   4.617
  442    HB3  LYS  71           HB1      LYS  71   3.070   3.113   4.502
  443    HG2  LYS  71           HG2      LYS  71   4.559   1.282   5.044
  444    HG3  LYS  71           HG1      LYS  71   5.937   2.384   5.072
  445    HD2  LYS  71           HD2      LYS  71   4.866   3.624   6.918
  446    HD3  LYS  71           HD1      LYS  71   3.548   2.452   6.914
  447    HE2  LYS  71           HE2      LYS  71   6.453   1.828   7.437
  448    HE3  LYS  71           HE1      LYS  71   5.203   1.982   8.670
  449    HZ1  LYS  71           HZ1      LYS  71   4.038   0.112   7.625
  450    HZ2  LYS  71           HZ2      LYS  71   5.579  -0.322   8.160
  451    HZ3  LYS  71           HZ3      LYS  71   5.301  -0.058   6.515
  452    H    ASP  72           HN       ASP  72   4.802   5.549   2.823
  453    HA   ASP  72           HA       ASP  72   2.379   6.495   1.903
  454    HB2  ASP  72           HB2      ASP  72   5.132   7.693   1.815
  455    HB3  ASP  72           HB1      ASP  72   3.743   8.551   1.158
  456    H    SER  73           HN       SER  73   5.270   5.711  -0.082
  457    HA   SER  73           HA       SER  73   4.251   6.647  -2.499
  458    HB2  SER  73           HB2      SER  73   6.594   6.029  -2.220
  459    HB3  SER  73           HB1      SER  73   6.144   4.344  -1.967
  460    HG   SER  73           HG       SER  73   6.069   5.876  -4.327
  461    H    ALA  74           HN       ALA  74   3.965   3.446  -0.983
  462    HA   ALA  74           HA       ALA  74   2.555   2.282  -3.179
  463    HB1  ALA  74           HB1      ALA  74   2.219   0.408  -1.758
  464    HB2  ALA  74           HB2      ALA  74   2.489   1.377  -0.309
  465    HB3  ALA  74           HB3      ALA  74   3.832   1.033  -1.406
  466    H    ALA  75           HN       ALA  75   1.656   3.816  -0.160
  467    HA   ALA  75           HA       ALA  75  -1.092   3.439  -0.151
  468    HB1  ALA  75           HB1      ALA  75  -1.202   5.446   1.246
  469    HB2  ALA  75           HB2      ALA  75   0.453   5.854   0.794
  470    HB3  ALA  75           HB3      ALA  75   0.127   4.393   1.728
  471    H    VAL  76           HN       VAL  76   0.829   5.849  -1.934
  472    HA   VAL  76           HA       VAL  76  -1.330   7.431  -2.814
  473    HB   VAL  76           HB       VAL  76   1.347   6.952  -4.141
  474   HG11  VAL  76          HG11      VAL  76  -0.283   7.814  -5.737
  475   HG12  VAL  76          HG12      VAL  76   0.926   9.038  -5.349
  476   HG13  VAL  76          HG13      VAL  76  -0.683   9.127  -4.632
  477   HG21  VAL  76          HG21      VAL  76   0.399   9.157  -2.314
  478   HG22  VAL  76          HG22      VAL  76   1.964   9.102  -3.125
  479   HG23  VAL  76          HG23      VAL  76   1.558   7.891  -1.909
  480    H    LEU  77           HN       LEU  77   0.130   4.489  -4.071
  481    HA   LEU  77           HA       LEU  77  -1.411   4.521  -6.510
  482    HB2  LEU  77           HB2      LEU  77   0.233   2.333  -5.232
  483    HB3  LEU  77           HB1      LEU  77  -0.460   2.267  -6.836
  484    HG   LEU  77           HG       LEU  77   1.688   4.168  -5.907
  485   HD11  LEU  77          HD11      LEU  77   1.775   1.860  -7.843
  486   HD12  LEU  77          HD12      LEU  77   2.478   1.888  -6.225
  487   HD13  LEU  77          HD13      LEU  77   3.106   2.958  -7.479
  488   HD21  LEU  77          HD21      LEU  77   1.797   4.844  -8.282
  489   HD22  LEU  77          HD22      LEU  77   0.273   5.282  -7.511
  490   HD23  LEU  77          HD23      LEU  77   0.346   3.891  -8.593
  491    H    LEU  78           HN       LEU  78  -1.647   3.321  -3.309
  492    HA   LEU  78           HA       LEU  78  -3.842   1.575  -3.626
  493    HB2  LEU  78           HB2      LEU  78  -2.250   1.852  -1.658
  494    HB3  LEU  78           HB1      LEU  78  -3.209   3.247  -1.219
  495    HG   LEU  78           HG       LEU  78  -5.203   1.708  -1.120
  496   HD11  LEU  78          HD11      LEU  78  -3.018  -0.256  -1.622
  497   HD12  LEU  78          HD12      LEU  78  -4.654  -0.206  -2.276
  498   HD13  LEU  78          HD13      LEU  78  -4.384  -0.714  -0.609
  499   HD21  LEU  78          HD21      LEU  78  -4.329   2.460   0.916
  500   HD22  LEU  78          HD22      LEU  78  -2.855   1.510   0.737
  501   HD23  LEU  78          HD23      LEU  78  -4.391   0.703   1.088
  502    H    LEU  79           HN       LEU  79  -3.594   4.996  -2.708
  503    HA   LEU  79           HA       LEU  79  -6.248   5.557  -2.188
  504    HB2  LEU  79           HB2      LEU  79  -3.855   7.085  -2.922
  505    HB3  LEU  79           HB1      LEU  79  -5.366   7.878  -3.308
  506    HG   LEU  79           HG       LEU  79  -6.059   7.761  -0.974
  507   HD11  LEU  79          HD11      LEU  79  -4.436   7.024   0.743
  508   HD12  LEU  79          HD12      LEU  79  -3.414   6.385  -0.545
  509   HD13  LEU  79          HD13      LEU  79  -5.022   5.712  -0.277
  510   HD21  LEU  79          HD21      LEU  79  -4.405   9.303  -0.045
  511   HD22  LEU  79          HD22      LEU  79  -4.792   9.696  -1.718
  512   HD23  LEU  79          HD23      LEU  79  -3.281   8.874  -1.332
  513    H    GLU  80           HN       GLU  80  -4.633   5.324  -5.283
  514    HA   GLU  80           HA       GLU  80  -6.857   6.495  -6.688
  515    HB2  GLU  80           HB2      GLU  80  -5.634   5.641  -8.748
  516    HB3  GLU  80           HB1      GLU  80  -4.844   6.889  -7.783
  517    HG2  GLU  80           HG2      GLU  80  -3.436   5.259  -6.762
  518    HG3  GLU  80           HG1      GLU  80  -4.275   3.949  -7.590
  519    H    LEU  81           HN       LEU  81  -5.762   3.284  -5.897
  520    HA   LEU  81           HA       LEU  81  -7.389   1.854  -7.706
  521    HB2  LEU  81           HB2      LEU  81  -5.390   0.994  -6.456
  522    HB3  LEU  81           HB1      LEU  81  -6.401   0.928  -5.033
  523    HG   LEU  81           HG       LEU  81  -6.000  -1.219  -6.409
  524   HD11  LEU  81          HD11      LEU  81  -8.790  -0.433  -5.592
  525   HD12  LEU  81          HD12      LEU  81  -7.546  -1.095  -4.532
  526   HD13  LEU  81          HD13      LEU  81  -8.212  -2.081  -5.834
  527   HD21  LEU  81          HD21      LEU  81  -6.572  -0.229  -8.580
  528   HD22  LEU  81          HD22      LEU  81  -8.229   0.001  -8.022
  529   HD23  LEU  81          HD23      LEU  81  -7.575  -1.627  -8.196
  530    H    LEU  82           HN       LEU  82  -7.790   2.585  -4.250
  531    HA   LEU  82           HA       LEU  82 -10.457   1.613  -4.141
  532    HB2  LEU  82           HB2      LEU  82  -8.930   3.420  -2.276
  533    HB3  LEU  82           HB1      LEU  82 -10.551   2.846  -1.958
  534    HG   LEU  82           HG       LEU  82  -9.306   1.357  -0.738
  535   HD11  LEU  82          HD11      LEU  82  -9.296  -0.775  -1.878
  536   HD12  LEU  82          HD12      LEU  82  -9.386   0.038  -3.440
  537   HD13  LEU  82          HD13      LEU  82 -10.736   0.148  -2.312
  538   HD21  LEU  82          HD21      LEU  82  -7.244   1.367  -2.927
  539   HD22  LEU  82          HD22      LEU  82  -7.166   0.396  -1.459
  540   HD23  LEU  82          HD23      LEU  82  -7.123   2.156  -1.355
  541    H    ASN  83           HN       ASN  83  -9.197   4.358  -5.515
  542    HA   ASN  83           HA       ASN  83 -11.644   5.929  -5.197
  543    HB2  ASN  83           HB2      ASN  83  -9.388   7.033  -5.122
  544    HB3  ASN  83           HB1      ASN  83  -9.173   6.592  -6.811
  545   HD21  ASN  83          HD21      ASN  83  -9.062   8.660  -7.567
  546   HD22  ASN  83          HD22      ASN  83 -10.411   9.741  -7.574
  547    H    LYS  84           HN       LYS  84 -10.528   3.463  -7.073
  548    HA   LYS  84           HA       LYS  84 -12.124   4.288  -9.399
  549    HB2  LYS  84           HB2      LYS  84  -9.730   2.446  -9.266
  550    HB3  LYS  84           HB1      LYS  84 -10.721   2.667 -10.702
  551    HG2  LYS  84           HG2      LYS  84  -9.980   4.842 -11.033
  552    HG3  LYS  84           HG1      LYS  84  -9.426   5.010  -9.366
  553    HD2  LYS  84           HD2      LYS  84  -7.664   3.324  -9.831
  554    HD3  LYS  84           HD1      LYS  84  -8.187   3.294 -11.518
  555    HE2  LYS  84           HE2      LYS  84  -7.200   5.744 -10.063
  556    HE3  LYS  84           HE1      LYS  84  -6.206   4.737 -11.111
  557    HZ1  LYS  84           HZ1      LYS  84  -7.027   6.675 -12.280
  558    HZ2  LYS  84           HZ2      LYS  84  -8.624   6.244 -11.943
  559    HZ3  LYS  84           HZ3      LYS  84  -7.683   5.268 -12.950
  560    H    THR  85           HN       THR  85 -13.280   3.202  -7.142
  561    HA   THR  85           HA       THR  85 -14.639   0.960  -8.241
  562    HB   THR  85           HB       THR  85 -12.691  -0.250  -7.414
  563    HG1  THR  85           HG1      THR  85 -14.703  -0.839  -5.521
  564   HG21  THR  85          HG21      THR  85 -13.399   0.848  -4.699
  565   HG22  THR  85          HG22      THR  85 -12.000   1.315  -5.663
  566   HG23  THR  85          HG23      THR  85 -12.136  -0.332  -5.045
  Start of MODEL   14
    1    H1   ASN  15           HT1      ASN  15  -4.568   5.817   4.054
    2    H2   ASN  15           HT2      ASN  15  -5.457   7.154   4.577
    3    H3   ASN  15           HT3      ASN  15  -5.906   6.339   3.164
    4    HA   ASN  15           HA       ASN  15  -6.388   4.349   4.451
    5    HB2  ASN  15           HB2      ASN  15  -6.530   4.517   6.903
    6    HB3  ASN  15           HB1      ASN  15  -4.885   4.759   6.332
    7   HD21  ASN  15          HD21      ASN  15  -6.228   5.591   8.819
    8   HD22  ASN  15          HD22      ASN  15  -5.989   7.303   8.909
    9    H    ASP  16           HN       ASP  16  -7.282   7.653   4.318
   10    HA   ASP  16           HA       ASP  16  -9.713   7.670   5.695
   11    HB2  ASP  16           HB2      ASP  16  -8.648   9.716   4.944
   12    HB3  ASP  16           HB1      ASP  16  -8.862   9.250   3.264
   13    H    ILE  17           HN       ILE  17  -9.025   6.971   2.298
   14    HA   ILE  17           HA       ILE  17 -11.686   6.710   1.460
   15    HB   ILE  17           HB       ILE  17  -9.154   5.539   0.323
   16   HG12  ILE  17          HG12      ILE  17  -9.768   7.182  -1.529
   17   HG13  ILE  17          HG11      ILE  17 -10.975   7.818  -0.424
   18   HG21  ILE  17          HG21      ILE  17 -10.964   4.021  -0.252
   19   HG22  ILE  17          HG22      ILE  17 -10.444   4.926  -1.675
   20   HG23  ILE  17          HG23      ILE  17 -11.932   5.373  -0.841
   21   HD11  ILE  17          HD11      ILE  17  -8.016   7.758   0.054
   22   HD12  ILE  17          HD12      ILE  17  -9.234   8.381   1.165
   23   HD13  ILE  17          HD13      ILE  17  -8.977   9.169  -0.393
   24    H    CYS  18           HN       CYS  18  -9.372   4.262   2.573
   25    HA   CYS  18           HA       CYS  18 -11.069   2.038   2.268
   26    HB2  CYS  18           HB2      CYS  18  -8.651   1.805   2.504
   27    HB3  CYS  18           HB1      CYS  18  -8.718   2.493   4.120
   28    HG   CYS  18           HG       CYS  18 -10.336   0.289   5.063
   29    H    LEU  19           HN       LEU  19 -10.355   4.141   4.989
   30    HA   LEU  19           HA       LEU  19 -11.874   2.866   6.967
   31    HB2  LEU  19           HB2      LEU  19 -10.156   4.636   7.253
   32    HB3  LEU  19           HB1      LEU  19 -11.305   5.801   6.653
   33    HG   LEU  19           HG       LEU  19 -12.793   5.261   8.574
   34   HD11  LEU  19          HD11      LEU  19 -10.414   3.674   9.525
   35   HD12  LEU  19          HD12      LEU  19 -11.988   3.023   9.067
   36   HD13  LEU  19          HD13      LEU  19 -11.842   4.061  10.484
   37   HD21  LEU  19          HD21      LEU  19 -11.330   7.198   8.629
   38   HD22  LEU  19          HD22      LEU  19 -10.015   6.205   9.254
   39   HD23  LEU  19          HD23      LEU  19 -11.457   6.473  10.230
   40    H    ARG  20           HN       ARG  20 -12.644   5.420   4.684
   41    HA   ARG  20           HA       ARG  20 -15.219   6.046   5.669
   42    HB2  ARG  20           HB2      ARG  20 -13.732   7.406   4.096
   43    HB3  ARG  20           HB1      ARG  20 -14.348   6.377   2.810
   44    HG2  ARG  20           HG2      ARG  20 -15.663   8.341   2.814
   45    HG3  ARG  20           HG1      ARG  20 -16.650   7.051   3.505
   46    HD2  ARG  20           HD2      ARG  20 -16.192   7.842   5.738
   47    HD3  ARG  20           HD1      ARG  20 -15.101   9.075   5.108
   48    HE   ARG  20           HE       ARG  20 -17.812   9.213   4.106
   49   HH11  ARG  20          HH11      ARG  20 -15.555  10.266   6.562
   50   HH12  ARG  20          HH12      ARG  20 -16.458  11.690   6.964
   51   HH21  ARG  20          HH21      ARG  20 -19.005  11.090   4.631
   52   HH22  ARG  20          HH22      ARG  20 -18.414  12.167   5.857
   53    H    LYS  21           HN       LYS  21 -14.069   3.680   3.362
   54    HA   LYS  21           HA       LYS  21 -16.632   3.000   2.314
   55    HB2  LYS  21           HB2      LYS  21 -13.938   1.673   2.234
   56    HB3  LYS  21           HB1      LYS  21 -15.357   0.971   1.464
   57    HG2  LYS  21           HG2      LYS  21 -14.151   3.658   0.851
   58    HG3  LYS  21           HG1      LYS  21 -13.999   2.198  -0.128
   59    HD2  LYS  21           HD2      LYS  21 -16.708   3.227   0.556
   60    HD3  LYS  21           HD1      LYS  21 -15.781   4.007  -0.705
   61    HE2  LYS  21           HE2      LYS  21 -17.168   2.392  -1.752
   62    HE3  LYS  21           HE1      LYS  21 -15.524   1.771  -1.787
   63    HZ1  LYS  21           HZ1      LYS  21 -16.040   0.339   0.065
   64    HZ2  LYS  21           HZ2      LYS  21 -17.155   0.081  -1.174
   65    HZ3  LYS  21           HZ3      LYS  21 -17.599   0.982   0.184
   66    H    ASN  22           HN       ASN  22 -15.501   2.620   5.296
   67    HA   ASN  22           HA       ASN  22 -16.126   1.436   7.110
   68    HB2  ASN  22           HB2      ASN  22 -18.406   1.663   6.024
   69    HB3  ASN  22           HB1      ASN  22 -18.161   0.057   5.356
   70   HD21  ASN  22          HD21      ASN  22 -18.670   1.915   8.245
   71   HD22  ASN  22          HD22      ASN  22 -19.117   0.591   9.265
   72    H    TRP  23           HN       TRP  23 -14.114   0.536   5.214
   73    HA   TRP  23           HA       TRP  23 -14.114  -2.358   5.609
   74    HB2  TRP  23           HB2      TRP  23 -12.076  -0.540   4.296
   75    HB3  TRP  23           HB1      TRP  23 -11.980  -2.292   4.354
   76    HD1  TRP  23           HD1      TRP  23 -15.136  -2.744   3.518
   77    HE1  TRP  23           HE1      TRP  23 -15.743  -2.404   1.027
   78    HE3  TRP  23           HE3      TRP  23 -11.166   0.127   2.099
   79    HZ2  TRP  23           HZ2      TRP  23 -14.645  -1.122  -1.234
   80    HZ3  TRP  23           HZ3      TRP  23 -11.022   0.874  -0.232
   81    HH2  TRP  23           HH2      TRP  23 -12.710   0.256  -1.865
   82    HA   PRO  24           HA       PRO  24 -11.388  -2.091   9.155
   83    HB2  PRO  24           HB2      PRO  24  -9.749  -4.212   8.742
   84    HB3  PRO  24           HB1      PRO  24 -11.409  -4.379   9.322
   85    HG2  PRO  24           HG2      PRO  24 -10.321  -4.739   6.564
   86    HG3  PRO  24           HG1      PRO  24 -11.528  -5.708   7.427
   87    HD2  PRO  24           HD2      PRO  24 -12.188  -3.862   5.553
   88    HD3  PRO  24           HD1      PRO  24 -13.237  -4.242   6.932
   89    H    MET  25           HN       MET  25  -8.765  -2.412   9.488
   90    HA   MET  25           HA       MET  25  -7.628  -0.358   7.856
   91    HB2  MET  25           HB2      MET  25  -6.341  -2.139   9.930
   92    HB3  MET  25           HB1      MET  25  -5.620  -0.695   9.236
   93    HG2  MET  25           HG2      MET  25  -8.245  -0.528  10.641
   94    HG3  MET  25           HG1      MET  25  -6.752  -0.599  11.564
   95    HE1  MET  25           HE1      MET  25  -8.297   2.902   9.023
   96    HE2  MET  25           HE2      MET  25  -9.063   1.329   9.253
   97    HE3  MET  25           HE3      MET  25  -7.714   1.503   8.131
   98    HA   PRO  26           HA       PRO  26  -5.920  -2.997   4.764
   99    HB2  PRO  26           HB2      PRO  26  -3.795  -1.122   4.233
  100    HB3  PRO  26           HB1      PRO  26  -5.230  -1.456   3.271
  101    HG2  PRO  26           HG2      PRO  26  -4.813   0.901   4.590
  102    HG3  PRO  26           HG1      PRO  26  -6.419   0.256   4.209
  103    HD2  PRO  26           HD2      PRO  26  -4.914   0.199   6.790
  104    HD3  PRO  26           HD1      PRO  26  -6.650   0.432   6.494
  105    H    SER  27           HN       SER  27  -3.967  -4.047   4.080
  106    HA   SER  27           HA       SER  27  -2.277  -4.819   6.306
  107    HB2  SER  27           HB2      SER  27  -3.225  -6.467   4.692
  108    HB3  SER  27           HB1      SER  27  -2.254  -5.733   3.424
  109    HG   SER  27           HG       SER  27  -1.546  -7.581   5.238
  110    H    TYR  28           HN       TYR  28   0.018  -4.572   6.358
  111    HA   TYR  28           HA       TYR  28   1.213  -2.914   4.317
  112    HB2  TYR  28           HB2      TYR  28   0.938  -2.056   7.193
  113    HB3  TYR  28           HB1      TYR  28   2.225  -1.445   6.163
  114    HD1  TYR  28           HD1      TYR  28   1.709   0.044   4.273
  115    HD2  TYR  28           HD2      TYR  28  -1.343  -1.318   6.912
  116    HE1  TYR  28           HE1      TYR  28   0.229   1.824   3.465
  117    HE2  TYR  28           HE2      TYR  28  -2.835   0.463   6.106
  118    HH   TYR  28           HH       TYR  28  -2.529   2.773   5.046
  119    H    ARG  29           HN       ARG  29   2.955  -4.141   3.798
  120    HA   ARG  29           HA       ARG  29   4.746  -5.038   5.879
  121    HB2  ARG  29           HB2      ARG  29   4.693  -7.407   4.909
  122    HB3  ARG  29           HB1      ARG  29   3.357  -6.931   5.947
  123    HG2  ARG  29           HG2      ARG  29   2.005  -6.459   3.936
  124    HG3  ARG  29           HG1      ARG  29   3.338  -7.038   2.936
  125    HD2  ARG  29           HD2      ARG  29   1.959  -8.680   5.056
  126    HD3  ARG  29           HD1      ARG  29   1.550  -8.726   3.342
  127    HE   ARG  29           HE       ARG  29   4.314  -9.198   3.701
  128   HH11  ARG  29          HH11      ARG  29   1.206 -10.737   4.155
  129   HH12  ARG  29          HH12      ARG  29   1.821 -12.341   3.926
  130   HH21  ARG  29          HH21      ARG  29   5.132 -11.311   3.381
  131   HH22  ARG  29          HH22      ARG  29   4.059 -12.669   3.490
  132    H    CYS  30           HN       CYS  30   6.783  -4.938   5.208
  133    HA   CYS  30           HA       CYS  30   7.387  -3.828   2.684
  134    HB2  CYS  30           HB2      CYS  30   9.220  -5.051   4.753
  135    HB3  CYS  30           HB1      CYS  30   9.747  -4.083   3.379
  136    HG   CYS  30           HG       CYS  30   9.486  -2.895   6.171
  137    H    VAL  31           HN       VAL  31   7.715  -4.757   0.803
  138    HA   VAL  31           HA       VAL  31   7.833  -7.639   0.604
  139    HB   VAL  31           HB       VAL  31   7.922  -5.573  -1.603
  140   HG11  VAL  31          HG11      VAL  31   7.312  -8.526  -1.707
  141   HG12  VAL  31          HG12      VAL  31   8.814  -7.771  -2.237
  142   HG13  VAL  31          HG13      VAL  31   7.305  -7.408  -3.071
  143   HG21  VAL  31          HG21      VAL  31   5.858  -5.390  -0.322
  144   HG22  VAL  31          HG22      VAL  31   5.579  -7.121  -0.501
  145   HG23  VAL  31          HG23      VAL  31   5.542  -6.072  -1.917
  146    H    LYS  32           HN       LYS  32   9.930  -4.849   0.049
  147    HA   LYS  32           HA       LYS  32  12.196  -6.700  -0.136
  148    HB2  LYS  32           HB2      LYS  32  11.625  -5.976  -2.415
  149    HB3  LYS  32           HB1      LYS  32  11.748  -4.299  -1.906
  150    HG2  LYS  32           HG2      LYS  32  14.124  -4.605  -1.438
  151    HG3  LYS  32           HG1      LYS  32  14.004  -6.289  -1.954
  152    HD2  LYS  32           HD2      LYS  32  13.354  -5.572  -4.189
  153    HD3  LYS  32           HD1      LYS  32  13.420  -3.885  -3.681
  154    HE2  LYS  32           HE2      LYS  32  15.800  -4.082  -3.252
  155    HE3  LYS  32           HE1      LYS  32  15.755  -5.794  -3.668
  156    HZ1  LYS  32           HZ1      LYS  32  15.113  -3.571  -5.528
  157    HZ2  LYS  32           HZ2      LYS  32  15.145  -5.217  -5.914
  158    HZ3  LYS  32           HZ3      LYS  32  16.574  -4.421  -5.493
  159    H    GLU  33           HN       GLU  33  13.777  -6.208   1.150
  160    HA   GLU  33           HA       GLU  33  13.938  -3.581   2.445
  161    HB2  GLU  33           HB2      GLU  33  13.968  -5.466   3.962
  162    HB3  GLU  33           HB1      GLU  33  15.226  -6.260   3.029
  163    HG2  GLU  33           HG2      GLU  33  16.229  -5.389   4.988
  164    HG3  GLU  33           HG1      GLU  33  16.752  -4.386   3.637
  165    H    GLY  34           HN       GLY  34  16.019  -2.471   2.499
  166    HA2  GLY  34           HA2      GLY  34  17.296  -2.702  -0.092
  167    HA3  GLY  34           HA1      GLY  34  17.523  -1.416   1.080
  168    H    GLY  35           HN       GLY  35  19.632  -2.501  -0.289
  169    HA2  GLY  35           HA2      GLY  35  20.950  -4.565   1.211
  170    HA3  GLY  35           HA1      GLY  35  21.636  -3.605  -0.084
  171    HA   PRO  36           HA       PRO  36  24.244  -2.477   3.468
  172    HB2  PRO  36           HB2      PRO  36  25.460  -1.052   1.136
  173    HB3  PRO  36           HB1      PRO  36  26.247  -1.967   2.422
  174    HG2  PRO  36           HG2      PRO  36  25.960  -3.058   0.043
  175    HG3  PRO  36           HG1      PRO  36  25.646  -4.023   1.499
  176    HD2  PRO  36           HD2      PRO  36  23.708  -2.766  -0.394
  177    HD3  PRO  36           HD1      PRO  36  23.614  -4.333   0.433
  178    H    ALA  37           HN       ALA  37  24.216   0.126   1.060
  179    HA   ALA  37           HA       ALA  37  22.370   1.726   2.599
  180    HB1  ALA  37           HB1      ALA  37  23.889   3.589   2.978
  181    HB2  ALA  37           HB2      ALA  37  25.220   2.666   2.283
  182    HB3  ALA  37           HB3      ALA  37  24.475   2.138   3.790
  183    H    HIS  38           HN       HIS  38  24.650   1.460  -0.054
  184    HA   HIS  38           HA       HIS  38  23.578   3.566  -1.621
  185    HB2  HIS  38           HB2      HIS  38  24.838   2.530  -3.489
  186    HB3  HIS  38           HB1      HIS  38  25.823   2.738  -2.050
  187    HD1  HIS  38           HD1      HIS  38  26.945   0.685  -1.122
  188    HD2  HIS  38           HD2      HIS  38  24.063  -0.221  -3.982
  189    HE1  HIS  38           HE1      HIS  38  27.155  -1.782  -1.541
  190    HE2  HIS  38           HE2      HIS  38  25.484  -2.286  -3.356
  191    H    ALA  39           HN       ALA  39  22.308   0.597  -0.786
  192    HA   ALA  39           HA       ALA  39  20.354   0.771  -2.968
  193    HB1  ALA  39           HB1      ALA  39  21.532  -1.792  -1.898
  194    HB2  ALA  39           HB2      ALA  39  21.885  -1.076  -3.472
  195    HB3  ALA  39           HB3      ALA  39  20.260  -1.663  -3.113
  196    H    LYS  40           HN       LYS  40  20.330   1.751  -0.224
  197    HA   LYS  40           HA       LYS  40  18.698  -0.042   1.310
  198    HB2  LYS  40           HB2      LYS  40  20.374   1.830   2.124
  199    HB3  LYS  40           HB1      LYS  40  18.924   2.818   2.061
  200    HG2  LYS  40           HG2      LYS  40  19.294   1.915   4.292
  201    HG3  LYS  40           HG1      LYS  40  17.793   1.322   3.591
  202    HD2  LYS  40           HD2      LYS  40  18.735  -0.801   3.140
  203    HD3  LYS  40           HD1      LYS  40  20.371  -0.222   3.457
  204    HE2  LYS  40           HE2      LYS  40  19.549  -1.584   5.301
  205    HE3  LYS  40           HE1      LYS  40  19.808   0.080   5.813
  206    HZ1  LYS  40           HZ1      LYS  40  17.744  -0.800   6.683
  207    HZ2  LYS  40           HZ2      LYS  40  17.179  -1.131   5.123
  208    HZ3  LYS  40           HZ3      LYS  40  17.432   0.472   5.616
  209    H    ARG  41           HN       ARG  41  17.738   0.985  -1.313
  210    HA   ARG  41           HA       ARG  41  15.414   2.565  -0.567
  211    HB2  ARG  41           HB2      ARG  41  16.023   1.303  -3.245
  212    HB3  ARG  41           HB1      ARG  41  14.791   2.505  -2.914
  213    HG2  ARG  41           HG2      ARG  41  16.570   4.106  -2.292
  214    HG3  ARG  41           HG1      ARG  41  17.771   2.902  -2.764
  215    HD2  ARG  41           HD2      ARG  41  15.652   4.049  -4.578
  216    HD3  ARG  41           HD1      ARG  41  17.333   4.574  -4.528
  217    HE   ARG  41           HE       ARG  41  17.656   1.997  -5.038
  218   HH11  ARG  41          HH11      ARG  41  15.392   4.280  -6.421
  219   HH12  ARG  41          HH12      ARG  41  15.335   3.488  -7.962
  220   HH21  ARG  41          HH21      ARG  41  17.585   0.951  -7.080
  221   HH22  ARG  41          HH22      ARG  41  16.591   1.606  -8.341
  222    H    PHE  42           HN       PHE  42  13.462   1.807  -0.214
  223    HA   PHE  42           HA       PHE  42  13.199  -1.127  -0.091
  224    HB2  PHE  42           HB2      PHE  42  11.470   0.769   1.470
  225    HB3  PHE  42           HB1      PHE  42  11.861  -0.909   1.823
  226    HD1  PHE  42           HD1      PHE  42  14.617  -1.194   1.995
  227    HD2  PHE  42           HD2      PHE  42  12.306   2.248   2.957
  228    HE1  PHE  42           HE1      PHE  42  16.397  -0.415   3.497
  229    HE2  PHE  42           HE2      PHE  42  14.074   3.020   4.465
  230    HZ   PHE  42           HZ       PHE  42  16.122   1.690   4.744
  231    H    THR  43           HN       THR  43  11.312  -2.126  -0.656
  232    HA   THR  43           HA       THR  43   9.321  -0.511  -2.091
  233    HB   THR  43           HB       THR  43  10.377  -3.211  -2.966
  234    HG1  THR  43           HG1      THR  43  11.087  -0.580  -3.568
  235   HG21  THR  43          HG21      THR  43   8.041  -2.839  -3.583
  236   HG22  THR  43          HG22      THR  43   9.083  -2.790  -5.005
  237   HG23  THR  43          HG23      THR  43   8.472  -1.289  -4.307
  238    H    PHE  44           HN       PHE  44   7.213  -0.976  -1.496
  239    HA   PHE  44           HA       PHE  44   6.739  -3.405   0.039
  240    HB2  PHE  44           HB2      PHE  44   6.826  -2.144   1.934
  241    HB3  PHE  44           HB1      PHE  44   6.804  -0.636   1.024
  242    HD1  PHE  44           HD2      PHE  44   4.643  -3.347   2.288
  243    HD2  PHE  44           HD1      PHE  44   4.905   0.687   0.993
  244    HE1  PHE  44           HE2      PHE  44   2.358  -2.944   3.079
  245    HE2  PHE  44           HE1      PHE  44   2.625   1.096   1.797
  246    HZ   PHE  44           HZ       PHE  44   1.282  -0.733   2.633
  247    H    GLY  45           HN       GLY  45   4.443  -3.978   0.071
  248    HA2  GLY  45           HA2      GLY  45   2.859  -2.532  -1.963
  249    HA3  GLY  45           HA1      GLY  45   2.924  -4.287  -1.916
  250    H    VAL  46           HN       VAL  46   0.711  -2.192  -1.513
  251    HA   VAL  46           HA       VAL  46  -0.158  -2.950   1.212
  252    HB   VAL  46           HB       VAL  46  -1.737  -0.973  -0.318
  253   HG11  VAL  46          HG11      VAL  46  -2.397  -1.498   1.903
  254   HG12  VAL  46          HG12      VAL  46  -1.773   0.152   1.896
  255   HG13  VAL  46          HG13      VAL  46  -0.780  -1.163   2.522
  256   HG21  VAL  46          HG21      VAL  46   1.004  -0.284   0.693
  257   HG22  VAL  46          HG22      VAL  46  -0.236   0.896   0.270
  258   HG23  VAL  46          HG23      VAL  46   0.415  -0.181  -0.966
  259    H    ARG  47           HN       ARG  47  -2.441  -3.597   1.460
  260    HA   ARG  47           HA       ARG  47  -3.970  -3.972  -0.960
  261    HB2  ARG  47           HB2      ARG  47  -4.544  -6.331  -0.267
  262    HB3  ARG  47           HB1      ARG  47  -2.910  -6.116  -0.875
  263    HG2  ARG  47           HG2      ARG  47  -2.103  -6.063   1.467
  264    HG3  ARG  47           HG1      ARG  47  -3.749  -6.388   2.003
  265    HD2  ARG  47           HD2      ARG  47  -2.555  -8.457   1.972
  266    HD3  ARG  47           HD1      ARG  47  -3.715  -8.470   0.646
  267    HE   ARG  47           HE       ARG  47  -0.893  -7.779   0.177
  268   HH11  ARG  47          HH11      ARG  47  -3.693  -9.774  -0.498
  269   HH12  ARG  47          HH12      ARG  47  -2.933 -10.617  -1.804
  270   HH21  ARG  47          HH21      ARG  47   0.122  -8.912  -1.523
  271   HH22  ARG  47          HH22      ARG  47  -0.768 -10.139  -2.378
  272    H    VAL  48           HN       VAL  48  -6.205  -4.074  -0.549
  273    HA   VAL  48           HA       VAL  48  -6.997  -3.482   2.240
  274    HB   VAL  48           HB       VAL  48  -8.003  -2.177  -0.299
  275   HG11  VAL  48          HG11      VAL  48  -9.014  -1.801   2.512
  276   HG12  VAL  48          HG12      VAL  48  -9.878  -2.619   1.211
  277   HG13  VAL  48          HG13      VAL  48  -9.528  -0.894   1.090
  278   HG21  VAL  48          HG21      VAL  48  -7.141  -0.147   0.612
  279   HG22  VAL  48          HG22      VAL  48  -5.861  -1.357   0.712
  280   HG23  VAL  48          HG23      VAL  48  -6.783  -0.927   2.150
  281    H    ASN  49           HN       ASN  49  -9.173  -4.120   2.828
  282    HA   ASN  49           HA       ASN  49 -10.007  -6.526   1.397
  283    HB2  ASN  49           HB2      ASN  49  -9.664  -6.622   3.861
  284    HB3  ASN  49           HB1      ASN  49 -10.973  -5.463   4.058
  285   HD21  ASN  49          HD21      ASN  49 -10.140  -8.725   3.194
  286   HD22  ASN  49          HD22      ASN  49 -11.741  -9.370   3.281
  287    H    THR  50           HN       THR  50 -10.909  -5.525  -0.330
  288    HA   THR  50           HA       THR  50 -13.107  -3.674  -0.089
  289    HB   THR  50           HB       THR  50 -13.538  -4.114  -2.515
  290    HG1  THR  50           HG1      THR  50 -11.321  -5.882  -2.172
  291   HG21  THR  50          HG21      THR  50 -10.709  -3.411  -1.751
  292   HG22  THR  50          HG22      THR  50 -12.080  -2.305  -1.821
  293   HG23  THR  50          HG23      THR  50 -11.469  -3.048  -3.299
  294    H    SER  51           HN       SER  51 -14.975  -4.197   0.701
  295    HA   SER  51           HA       SER  51 -15.856  -6.690   1.412
  296    HB2  SER  51           HB2      SER  51 -16.760  -4.463   2.163
  297    HB3  SER  51           HB1      SER  51 -17.680  -4.401   0.660
  298    HG   SER  51           HG       SER  51 -19.033  -5.281   2.142
  299    H    ASP  52           HN       ASP  52 -16.156  -5.161  -1.711
  300    HA   ASP  52           HA       ASP  52 -18.160  -6.966  -2.683
  301    HB2  ASP  52           HB2      ASP  52 -17.837  -5.811  -4.815
  302    HB3  ASP  52           HB1      ASP  52 -18.046  -4.682  -3.483
  303    H    ARG  53           HN       ARG  53 -14.669  -7.072  -2.556
  304    HA   ARG  53           HA       ARG  53 -14.709  -9.340  -4.429
  305    HB2  ARG  53           HB2      ARG  53 -13.944  -7.279  -5.597
  306    HB3  ARG  53           HB1      ARG  53 -12.620  -7.165  -4.443
  307    HG2  ARG  53           HG2      ARG  53 -11.641  -8.207  -6.262
  308    HG3  ARG  53           HG1      ARG  53 -12.056  -9.547  -5.190
  309    HD2  ARG  53           HD2      ARG  53 -14.097  -9.947  -6.477
  310    HD3  ARG  53           HD1      ARG  53 -13.662  -8.629  -7.566
  311    HE   ARG  53           HE       ARG  53 -11.531 -10.440  -7.489
  312   HH11  ARG  53          HH11      ARG  53 -14.834 -10.274  -8.627
  313   HH12  ARG  53          HH12      ARG  53 -14.596 -11.443  -9.886
  314   HH21  ARG  53          HH21      ARG  53 -11.206 -11.972  -9.146
  315   HH22  ARG  53          HH22      ARG  53 -12.525 -12.405 -10.188
  316    H    GLY  54           HN       GLY  54 -12.933  -7.598  -1.929
  317    HA2  GLY  54           HA2      GLY  54 -12.163  -8.989  -0.033
  318    HA3  GLY  54           HA1      GLY  54 -11.553 -10.102  -1.242
  319    H    TRP  55           HN       TRP  55  -9.478  -9.919  -0.284
  320    HA   TRP  55           HA       TRP  55  -7.952  -7.630  -0.065
  321    HB2  TRP  55           HB2      TRP  55  -7.304 -10.478  -0.656
  322    HB3  TRP  55           HB1      TRP  55  -6.040  -9.282  -0.886
  323    HD1  TRP  55           HD1      TRP  55  -6.754 -11.675   1.537
  324    HE1  TRP  55           HE1      TRP  55  -6.115 -10.957   3.927
  325    HE3  TRP  55           HE3      TRP  55  -6.441  -6.629   0.817
  326    HZ2  TRP  55           HZ2      TRP  55  -5.543  -8.558   5.302
  327    HZ3  TRP  55           HZ3      TRP  55  -5.833  -5.203   2.722
  328    HH2  TRP  55           HH2      TRP  55  -5.409  -6.137   4.921
  329    H    THR  56           HN       THR  56  -7.428  -6.120  -1.449
  330    HA   THR  56           HA       THR  56  -7.877  -6.328  -4.249
  331    HB   THR  56           HB       THR  56  -6.739  -4.106  -4.353
  332    HG1  THR  56           HG1      THR  56  -5.404  -3.784  -2.735
  333   HG21  THR  56          HG21      THR  56  -8.875  -4.380  -2.246
  334   HG22  THR  56          HG22      THR  56  -9.147  -4.281  -3.985
  335   HG23  THR  56          HG23      THR  56  -8.466  -2.904  -3.120
  336    H    ASP  57           HN       ASP  57  -6.253  -5.981  -5.919
  337    HA   ASP  57           HA       ASP  57  -4.014  -7.656  -5.713
  338    HB2  ASP  57           HB2      ASP  57  -3.280  -6.646  -7.845
  339    HB3  ASP  57           HB1      ASP  57  -4.970  -7.119  -7.884
  340    H    GLU  58           HN       GLU  58  -2.048  -7.347  -5.021
  341    HA   GLU  58           HA       GLU  58  -1.546  -5.413  -3.113
  342    HB2  GLU  58           HB2      GLU  58  -0.449  -7.678  -3.456
  343    HB3  GLU  58           HB1      GLU  58   0.590  -6.884  -4.624
  344    HG2  GLU  58           HG2      GLU  58   1.459  -5.426  -2.917
  345    HG3  GLU  58           HG1      GLU  58   0.353  -6.117  -1.729
  346    H    CYS  59           HN       CYS  59  -0.976  -3.397  -3.207
  347    HA   CYS  59           HA       CYS  59  -0.153  -2.254  -5.769
  348    HB2  CYS  59           HB2      CYS  59  -0.994  -0.855  -3.222
  349    HB3  CYS  59           HB1      CYS  59  -0.760  -0.106  -4.798
  350    HG   CYS  59           HG       CYS  59  -2.955  -2.601  -4.925
  351    H    ILE  60           HN       ILE  60   1.978  -2.621  -5.955
  352    HA   ILE  60           HA       ILE  60   3.811  -2.301  -3.776
  353    HB   ILE  60           HB       ILE  60   4.066  -2.963  -6.695
  354   HG12  ILE  60          HG12      ILE  60   5.089  -5.001  -5.848
  355   HG13  ILE  60          HG11      ILE  60   5.011  -4.389  -4.202
  356   HG21  ILE  60          HG21      ILE  60   5.901  -1.449  -6.293
  357   HG22  ILE  60          HG22      ILE  60   6.499  -3.099  -6.459
  358   HG23  ILE  60          HG23      ILE  60   6.371  -2.363  -4.862
  359   HD11  ILE  60          HD11      ILE  60   2.689  -5.086  -5.976
  360   HD12  ILE  60          HD12      ILE  60   2.566  -4.388  -4.363
  361   HD13  ILE  60          HD13      ILE  60   3.266  -5.992  -4.577
  362    H    GLY  61           HN       GLY  61   4.769  -0.541  -3.157
  363    HA2  GLY  61           HA2      GLY  61   4.390   1.940  -4.585
  364    HA3  GLY  61           HA1      GLY  61   5.161   1.739  -3.020
  365    H    GLU  62           HN       GLU  62   6.461   3.444  -4.251
  366    HA   GLU  62           HA       GLU  62   8.298   2.420  -6.244
  367    HB2  GLU  62           HB2      GLU  62   8.244   5.143  -4.934
  368    HB3  GLU  62           HB1      GLU  62   9.025   4.706  -6.448
  369    HG2  GLU  62           HG2      GLU  62   6.857   4.301  -7.471
  370    HG3  GLU  62           HG1      GLU  62   6.053   4.690  -5.951
  371    HA   PRO  63           HA       PRO  63  11.659   1.385  -3.496
  372    HB2  PRO  63           HB2      PRO  63  13.350   2.786  -5.504
  373    HB3  PRO  63           HB1      PRO  63  13.505   1.152  -4.850
  374    HG2  PRO  63           HG2      PRO  63  12.587   1.559  -7.322
  375    HG3  PRO  63           HG1      PRO  63  11.915   0.282  -6.293
  376    HD2  PRO  63           HD2      PRO  63  10.770   2.944  -7.003
  377    HD3  PRO  63           HD1      PRO  63   9.950   1.391  -6.751
  378    H    MET  64           HN       MET  64  11.604   2.630  -1.691
  379    HA   MET  64           HA       MET  64  12.285   5.479  -1.952
  380    HB2  MET  64           HB2      MET  64  10.420   4.002  -0.119
  381    HB3  MET  64           HB1      MET  64  11.038   5.591   0.301
  382    HG2  MET  64           HG2      MET  64   9.465   4.923  -2.172
  383    HG3  MET  64           HG1      MET  64   8.832   5.702  -0.724
  384    HE1  MET  64           HE1      MET  64   8.777   8.715  -3.124
  385    HE2  MET  64           HE2      MET  64   7.927   7.865  -1.833
  386    HE3  MET  64           HE3      MET  64   8.257   7.047  -3.363
  387    HA   PRO  65           HA       PRO  65  15.773   4.585   0.628
  388    HB2  PRO  65           HB2      PRO  65  16.506   7.099   1.231
  389    HB3  PRO  65           HB1      PRO  65  16.689   6.438  -0.398
  390    HG2  PRO  65           HG2      PRO  65  14.538   8.219   0.692
  391    HG3  PRO  65           HG1      PRO  65  15.409   8.336  -0.848
  392    HD2  PRO  65           HD2      PRO  65  12.917   7.252  -0.621
  393    HD3  PRO  65           HD1      PRO  65  14.092   6.742  -1.853
  394    H    SER  66           HN       SER  66  12.831   5.352   1.827
  395    HA   SER  66           HA       SER  66  13.730   5.050   4.554
  396    HB2  SER  66           HB2      SER  66  13.714   7.476   4.359
  397    HB3  SER  66           HB1      SER  66  12.106   7.442   3.641
  398    HG   SER  66           HG       SER  66  12.785   7.512   6.226
  399    H    VAL  67           HN       VAL  67  12.211   3.996   5.795
  400    HA   VAL  67           HA       VAL  67  10.346   2.440   4.309
  401    HB   VAL  67           HB       VAL  67   9.715   1.437   6.473
  402   HG11  VAL  67          HG11      VAL  67  11.923   0.504   7.033
  403   HG12  VAL  67          HG12      VAL  67  12.680   1.747   6.038
  404   HG13  VAL  67          HG13      VAL  67  11.626   0.543   5.296
  405   HG21  VAL  67          HG21      VAL  67  11.613   3.462   7.649
  406   HG22  VAL  67          HG22      VAL  67  10.882   2.116   8.521
  407   HG23  VAL  67          HG23      VAL  67   9.869   3.412   7.884
  408    H    LYS  68           HN       LYS  68  10.082   5.418   6.015
  409    HA   LYS  68           HA       LYS  68   7.306   5.181   6.672
  410    HB2  LYS  68           HB2      LYS  68   9.113   7.601   6.541
  411    HB3  LYS  68           HB1      LYS  68   7.485   7.594   7.207
  412    HG2  LYS  68           HG2      LYS  68   8.171   6.020   8.922
  413    HG3  LYS  68           HG1      LYS  68   9.796   5.966   8.241
  414    HD2  LYS  68           HD2      LYS  68  10.106   8.323   8.735
  415    HD3  LYS  68           HD1      LYS  68   8.453   8.431   9.344
  416    HE2  LYS  68           HE2      LYS  68   9.007   6.815  11.101
  417    HE3  LYS  68           HE1      LYS  68  10.661   6.732  10.501
  418    HZ1  LYS  68           HZ1      LYS  68  10.954   9.050  11.034
  419    HZ2  LYS  68           HZ2      LYS  68  10.427   8.219  12.409
  420    HZ3  LYS  68           HZ3      LYS  68   9.344   9.180  11.537
  421    H    LYS  69           HN       LYS  69   9.168   6.771   4.121
  422    HA   LYS  69           HA       LYS  69   6.776   7.753   2.840
  423    HB2  LYS  69           HB2      LYS  69   8.276   8.650   1.126
  424    HB3  LYS  69           HB1      LYS  69   8.777   9.130   2.742
  425    HG2  LYS  69           HG2      LYS  69  10.384   7.173   2.642
  426    HG3  LYS  69           HG1      LYS  69  10.023   7.114   0.921
  427    HD2  LYS  69           HD2      LYS  69  11.087   9.538   2.370
  428    HD3  LYS  69           HD1      LYS  69  12.080   8.402   1.465
  429    HE2  LYS  69           HE2      LYS  69  11.739  10.165  -0.024
  430    HE3  LYS  69           HE1      LYS  69  10.563   8.954  -0.526
  431    HZ1  LYS  69           HZ1      LYS  69   8.838  10.173   0.604
  432    HZ2  LYS  69           HZ2      LYS  69   9.643  11.209  -0.456
  433    HZ3  LYS  69           HZ3      LYS  69   9.953  11.294   1.201
  434    H    ALA  70           HN       ALA  70   8.739   4.948   2.769
  435    HA   ALA  70           HA       ALA  70   8.130   3.884   0.274
  436    HB1  ALA  70           HB1      ALA  70   8.368   2.375   2.878
  437    HB2  ALA  70           HB2      ALA  70   9.726   2.874   1.868
  438    HB3  ALA  70           HB3      ALA  70   8.551   1.707   1.256
  439    H    LYS  71           HN       LYS  71   6.411   3.281   3.355
  440    HA   LYS  71           HA       LYS  71   4.155   2.048   2.419
  441    HB2  LYS  71           HB2      LYS  71   4.348   4.090   4.643
  442    HB3  LYS  71           HB1      LYS  71   2.995   2.995   4.394
  443    HG2  LYS  71           HG2      LYS  71   4.438   1.082   4.794
  444    HG3  LYS  71           HG1      LYS  71   5.828   2.153   4.979
  445    HD2  LYS  71           HD2      LYS  71   5.022   1.503   7.162
  446    HD3  LYS  71           HD1      LYS  71   4.702   3.219   6.908
  447    HE2  LYS  71           HE2      LYS  71   2.379   2.671   6.297
  448    HE3  LYS  71           HE1      LYS  71   2.713   0.969   6.610
  449    HZ1  LYS  71           HZ1      LYS  71   2.920   3.137   8.627
  450    HZ2  LYS  71           HZ2      LYS  71   3.138   1.484   8.910
  451    HZ3  LYS  71           HZ3      LYS  71   1.615   2.074   8.478
  452    H    ASP  72           HN       ASP  72   4.697   5.550   2.759
  453    HA   ASP  72           HA       ASP  72   2.276   6.494   1.875
  454    HB2  ASP  72           HB2      ASP  72   5.041   7.629   1.566
  455    HB3  ASP  72           HB1      ASP  72   3.623   8.487   0.976
  456    H    SER  73           HN       SER  73   5.106   5.752  -0.218
  457    HA   SER  73           HA       SER  73   3.891   6.653  -2.571
  458    HB2  SER  73           HB2      SER  73   5.643   5.384  -3.748
  459    HB3  SER  73           HB1      SER  73   6.303   6.299  -2.395
  460    HG   SER  73           HG       SER  73   6.027   4.227  -1.190
  461    H    ALA  74           HN       ALA  74   3.894   3.457  -1.047
  462    HA   ALA  74           HA       ALA  74   2.540   2.152  -3.196
  463    HB1  ALA  74           HB1      ALA  74   2.285   0.313  -1.689
  464    HB2  ALA  74           HB2      ALA  74   2.577   1.347  -0.291
  465    HB3  ALA  74           HB3      ALA  74   3.885   1.007  -1.428
  466    H    ALA  75           HN       ALA  75   1.524   3.540  -0.128
  467    HA   ALA  75           HA       ALA  75  -1.197   3.010  -0.194
  468    HB1  ALA  75           HB1      ALA  75  -1.460   4.859   1.354
  469    HB2  ALA  75           HB2      ALA  75   0.136   5.472   0.926
  470    HB3  ALA  75           HB3      ALA  75  -0.020   3.922   1.753
  471    H    VAL  76           HN       VAL  76   0.592   5.618  -1.822
  472    HA   VAL  76           HA       VAL  76  -1.668   7.117  -2.619
  473    HB   VAL  76           HB       VAL  76   1.063   6.916  -3.904
  474   HG11  VAL  76          HG11      VAL  76   0.509   9.039  -5.008
  475   HG12  VAL  76          HG12      VAL  76  -1.131   8.936  -4.366
  476   HG13  VAL  76          HG13      VAL  76  -0.559   7.734  -5.522
  477   HG21  VAL  76          HG21      VAL  76  -0.106   8.956  -2.015
  478   HG22  VAL  76          HG22      VAL  76   1.490   9.041  -2.765
  479   HG23  VAL  76          HG23      VAL  76   1.120   7.752  -1.619
  480    H    LEU  77           HN       LEU  77   0.020   4.383  -4.037
  481    HA   LEU  77           HA       LEU  77  -1.454   4.443  -6.510
  482    HB2  LEU  77           HB2      LEU  77   0.261   2.281  -5.280
  483    HB3  LEU  77           HB1      LEU  77  -0.354   2.275  -6.917
  484    HG   LEU  77           HG       LEU  77   1.586   4.305  -5.812
  485   HD11  LEU  77          HD11      LEU  77   3.242   3.200  -7.203
  486   HD12  LEU  77          HD12      LEU  77   2.050   1.995  -7.689
  487   HD13  LEU  77          HD13      LEU  77   2.582   2.084  -6.009
  488   HD21  LEU  77          HD21      LEU  77   0.570   3.842  -8.613
  489   HD22  LEU  77          HD22      LEU  77   1.838   4.979  -8.155
  490   HD23  LEU  77          HD23      LEU  77   0.188   5.218  -7.578
  491    H    LEU  78           HN       LEU  78  -1.661   2.974  -3.407
  492    HA   LEU  78           HA       LEU  78  -3.771   1.167  -3.900
  493    HB2  LEU  78           HB2      LEU  78  -2.314   1.074  -1.948
  494    HB3  LEU  78           HB1      LEU  78  -2.942   2.614  -1.402
  495    HG   LEU  78           HG       LEU  78  -5.225   1.428  -1.369
  496   HD11  LEU  78          HD11      LEU  78  -5.134  -0.964  -0.991
  497   HD12  LEU  78          HD12      LEU  78  -3.394  -0.961  -1.255
  498   HD13  LEU  78          HD13      LEU  78  -4.486  -0.570  -2.582
  499   HD21  LEU  78          HD21      LEU  78  -4.679   0.516   0.915
  500   HD22  LEU  78          HD22      LEU  78  -4.227   2.197   0.627
  501   HD23  LEU  78          HD23      LEU  78  -2.993   0.938   0.584
  502    H    LEU  79           HN       LEU  79  -3.751   4.440  -2.497
  503    HA   LEU  79           HA       LEU  79  -6.452   4.658  -1.921
  504    HB2  LEU  79           HB2      LEU  79  -4.193   6.515  -2.320
  505    HB3  LEU  79           HB1      LEU  79  -5.790   7.219  -2.416
  506    HG   LEU  79           HG       LEU  79  -6.278   6.713  -0.167
  507   HD11  LEU  79          HD11      LEU  79  -5.502   4.407  -0.102
  508   HD12  LEU  79          HD12      LEU  79  -4.858   5.323   1.261
  509   HD13  LEU  79          HD13      LEU  79  -3.827   4.959  -0.122
  510   HD21  LEU  79          HD21      LEU  79  -4.741   8.572  -0.430
  511   HD22  LEU  79          HD22      LEU  79  -3.367   7.471  -0.336
  512   HD23  LEU  79          HD23      LEU  79  -4.409   7.705   1.068
  513    H    GLU  80           HN       GLU  80  -4.831   5.089  -4.968
  514    HA   GLU  80           HA       GLU  80  -7.071   6.412  -6.195
  515    HB2  GLU  80           HB2      GLU  80  -5.874   5.832  -8.361
  516    HB3  GLU  80           HB1      GLU  80  -5.049   6.925  -7.245
  517    HG2  GLU  80           HG2      GLU  80  -3.711   5.078  -6.437
  518    HG3  GLU  80           HG1      GLU  80  -4.527   3.982  -7.548
  519    H    LEU  81           HN       LEU  81  -6.000   3.127  -5.802
  520    HA   LEU  81           HA       LEU  81  -7.593   1.920  -7.798
  521    HB2  LEU  81           HB2      LEU  81  -5.593   1.112  -6.152
  522    HB3  LEU  81           HB1      LEU  81  -6.978   0.401  -5.355
  523    HG   LEU  81           HG       LEU  81  -6.095  -0.087  -8.185
  524   HD11  LEU  81          HD11      LEU  81  -6.132  -1.869  -5.757
  525   HD12  LEU  81          HD12      LEU  81  -4.703  -1.186  -6.530
  526   HD13  LEU  81          HD13      LEU  81  -5.689  -2.369  -7.388
  527   HD21  LEU  81          HD21      LEU  81  -8.531  -0.134  -8.041
  528   HD22  LEU  81          HD22      LEU  81  -8.437  -1.262  -6.689
  529   HD23  LEU  81          HD23      LEU  81  -7.882  -1.755  -8.288
  530    H    LEU  82           HN       LEU  82  -7.981   2.285  -4.305
  531    HA   LEU  82           HA       LEU  82 -10.528   1.067  -4.167
  532    HB2  LEU  82           HB2      LEU  82  -9.181   2.972  -2.257
  533    HB3  LEU  82           HB1      LEU  82 -10.702   2.178  -1.931
  534    HG   LEU  82           HG       LEU  82  -9.302   0.787  -0.810
  535   HD11  LEU  82          HD11      LEU  82  -9.087  -0.342  -3.585
  536   HD12  LEU  82          HD12      LEU  82 -10.471  -0.519  -2.507
  537   HD13  LEU  82          HD13      LEU  82  -8.918  -1.230  -2.069
  538   HD21  LEU  82          HD21      LEU  82  -7.208   1.285  -2.901
  539   HD22  LEU  82          HD22      LEU  82  -7.019   0.241  -1.494
  540   HD23  LEU  82          HD23      LEU  82  -7.275   1.973  -1.278
  541    H    ASN  83           HN       ASN  83  -9.498   4.312  -4.849
  542    HA   ASN  83           HA       ASN  83 -12.182   5.374  -4.533
  543    HB2  ASN  83           HB2      ASN  83 -10.007   6.633  -3.992
  544    HB3  ASN  83           HB1      ASN  83  -9.813   6.808  -5.731
  545   HD21  ASN  83          HD21      ASN  83 -12.894   6.887  -4.042
  546   HD22  ASN  83          HD22      ASN  83 -13.230   8.551  -4.361
  547    H    LYS  84           HN       LYS  84 -10.727   3.503  -6.682
  548    HA   LYS  84           HA       LYS  84 -11.282   2.692  -8.688
  549    HB2  LYS  84           HB2      LYS  84 -13.465   4.579  -8.147
  550    HB3  LYS  84           HB1      LYS  84 -13.314   3.990  -9.800
  551    HG2  LYS  84           HG2      LYS  84 -13.593   1.730  -9.075
  552    HG3  LYS  84           HG1      LYS  84 -13.477   2.205  -7.379
  553    HD2  LYS  84           HD2      LYS  84 -15.661   3.080  -9.268
  554    HD3  LYS  84           HD1      LYS  84 -15.802   1.753  -8.115
  555    HE2  LYS  84           HE2      LYS  84 -15.307   4.656  -7.460
  556    HE3  LYS  84           HE1      LYS  84 -16.810   3.770  -7.214
  557    HZ1  LYS  84           HZ1      LYS  84 -15.701   2.360  -5.615
  558    HZ2  LYS  84           HZ2      LYS  84 -15.515   3.983  -5.171
  559    HZ3  LYS  84           HZ3      LYS  84 -14.229   3.149  -5.881
  560    H    THR  85           HN       THR  85  -9.986   2.951 -10.353
  561    HA   THR  85           HA       THR  85  -9.629   5.578 -11.518
  562    HB   THR  85           HB       THR  85  -7.909   5.637  -9.889
  563    HG1  THR  85           HG1      THR  85  -6.094   4.838 -11.702
  564   HG21  THR  85          HG21      THR  85  -6.211   3.835  -9.672
  565   HG22  THR  85          HG22      THR  85  -7.182   2.848 -10.763
  566   HG23  THR  85          HG23      THR  85  -7.838   3.341  -9.200
  Start of MODEL   15
    1    H1   ASN  15           HT1      ASN  15  -5.810   7.084   6.327
    2    H2   ASN  15           HT2      ASN  15  -5.950   6.524   4.736
    3    H3   ASN  15           HT3      ASN  15  -4.712   5.945   5.729
    4    HA   ASN  15           HA       ASN  15  -6.417   4.303   5.531
    5    HB2  ASN  15           HB2      ASN  15  -6.851   3.902   7.890
    6    HB3  ASN  15           HB1      ASN  15  -5.210   4.503   7.681
    7   HD21  ASN  15          HD21      ASN  15  -7.040   4.533   9.998
    8   HD22  ASN  15          HD22      ASN  15  -7.145   6.195  10.476
    9    H    ASP  16           HN       ASP  16  -7.612   7.487   5.756
   10    HA   ASP  16           HA       ASP  16 -10.153   7.012   6.897
   11    HB2  ASP  16           HB2      ASP  16  -9.153   9.239   5.117
   12    HB3  ASP  16           HB1      ASP  16 -10.742   9.229   5.877
   13    H    ILE  17           HN       ILE  17  -9.022   7.084   3.539
   14    HA   ILE  17           HA       ILE  17 -11.450   6.838   2.238
   15    HB   ILE  17           HB       ILE  17  -8.752   5.719   1.499
   16   HG12  ILE  17          HG12      ILE  17  -8.943   7.527  -0.261
   17   HG13  ILE  17          HG11      ILE  17 -10.366   8.099   0.592
   18   HG21  ILE  17          HG21      ILE  17 -11.254   5.727  -0.183
   19   HG22  ILE  17          HG22      ILE  17 -10.422   4.306   0.448
   20   HG23  ILE  17          HG23      ILE  17  -9.634   5.324  -0.757
   21   HD11  ILE  17          HD11      ILE  17  -8.341   9.369   1.133
   22   HD12  ILE  17          HD12      ILE  17  -7.622   7.897   1.789
   23   HD13  ILE  17          HD13      ILE  17  -9.063   8.585   2.539
   24    H    CYS  18           HN       CYS  18  -9.431   4.369   3.699
   25    HA   CYS  18           HA       CYS  18 -11.073   2.170   2.868
   26    HB2  CYS  18           HB2      CYS  18  -8.598   2.060   3.372
   27    HB3  CYS  18           HB1      CYS  18  -9.002   2.236   5.074
   28    HG   CYS  18           HG       CYS  18  -9.635  -0.230   5.541
   29    H    LEU  19           HN       LEU  19 -10.677   4.144   5.729
   30    HA   LEU  19           HA       LEU  19 -12.273   2.730   7.546
   31    HB2  LEU  19           HB2      LEU  19 -10.744   4.634   8.044
   32    HB3  LEU  19           HB1      LEU  19 -11.925   5.713   7.349
   33    HG   LEU  19           HG       LEU  19 -13.553   4.934   9.094
   34   HD11  LEU  19          HD11      LEU  19 -12.470   2.816   9.640
   35   HD12  LEU  19          HD12      LEU  19 -12.664   3.826  11.071
   36   HD13  LEU  19          HD13      LEU  19 -11.085   3.688  10.298
   37   HD21  LEU  19          HD21      LEU  19 -11.006   6.236  10.052
   38   HD22  LEU  19          HD22      LEU  19 -12.561   6.289  10.880
   39   HD23  LEU  19          HD23      LEU  19 -12.376   7.052   9.300
   40    H    ARG  20           HN       ARG  20 -13.059   5.504   5.494
   41    HA   ARG  20           HA       ARG  20 -15.756   5.764   6.072
   42    HB2  ARG  20           HB2      ARG  20 -14.457   7.406   4.824
   43    HB3  ARG  20           HB1      ARG  20 -14.298   6.288   3.482
   44    HG2  ARG  20           HG2      ARG  20 -16.774   6.332   3.237
   45    HG3  ARG  20           HG1      ARG  20 -16.816   7.600   4.464
   46    HD2  ARG  20           HD2      ARG  20 -15.426   9.022   3.079
   47    HD3  ARG  20           HD1      ARG  20 -15.289   7.745   1.875
   48    HE   ARG  20           HE       ARG  20 -18.001   8.522   2.434
   49   HH11  ARG  20          HH11      ARG  20 -15.141   9.173   0.540
   50   HH12  ARG  20          HH12      ARG  20 -15.999   9.974  -0.736
   51   HH21  ARG  20          HH21      ARG  20 -19.155   9.569   0.751
   52   HH22  ARG  20          HH22      ARG  20 -18.289  10.201  -0.614
   53    H    LYS  21           HN       LYS  21 -14.148   3.649   3.774
   54    HA   LYS  21           HA       LYS  21 -16.530   2.823   2.436
   55    HB2  LYS  21           HB2      LYS  21 -13.662   2.271   2.286
   56    HB3  LYS  21           HB1      LYS  21 -14.665   0.875   1.919
   57    HG2  LYS  21           HG2      LYS  21 -14.895   3.564   0.589
   58    HG3  LYS  21           HG1      LYS  21 -14.066   2.156  -0.080
   59    HD2  LYS  21           HD2      LYS  21 -16.157   0.893  -0.013
   60    HD3  LYS  21           HD1      LYS  21 -16.981   2.305   0.643
   61    HE2  LYS  21           HE2      LYS  21 -15.652   2.093  -2.048
   62    HE3  LYS  21           HE1      LYS  21 -17.384   2.112  -1.740
   63    HZ1  LYS  21           HZ1      LYS  21 -17.137   4.356  -0.835
   64    HZ2  LYS  21           HZ2      LYS  21 -16.627   4.276  -2.444
   65    HZ3  LYS  21           HZ3      LYS  21 -15.485   4.328  -1.199
   66    H    ASN  22           HN       ASN  22 -15.730   2.302   5.466
   67    HA   ASN  22           HA       ASN  22 -16.357   0.918   7.090
   68    HB2  ASN  22           HB2      ASN  22 -18.000  -0.413   4.935
   69    HB3  ASN  22           HB1      ASN  22 -18.131  -0.685   6.659
   70   HD21  ASN  22          HD21      ASN  22 -18.771   1.515   4.072
   71   HD22  ASN  22          HD22      ASN  22 -19.814   2.572   4.955
   72    H    TRP  23           HN       TRP  23 -14.064   0.406   5.327
   73    HA   TRP  23           HA       TRP  23 -13.752  -2.486   5.699
   74    HB2  TRP  23           HB2      TRP  23 -11.909  -0.509   4.330
   75    HB3  TRP  23           HB1      TRP  23 -11.712  -2.254   4.361
   76    HD1  TRP  23           HD1      TRP  23 -14.923  -2.759   3.622
   77    HE1  TRP  23           HE1      TRP  23 -15.587  -2.469   1.136
   78    HE3  TRP  23           HE3      TRP  23 -10.985   0.083   2.083
   79    HZ2  TRP  23           HZ2      TRP  23 -14.525  -1.215  -1.172
   80    HZ3  TRP  23           HZ3      TRP  23 -10.871   0.786  -0.261
   81    HH2  TRP  23           HH2      TRP  23 -12.595   0.149  -1.859
   82    HA   PRO  24           HA       PRO  24 -11.094  -1.697   9.204
   83    HB2  PRO  24           HB2      PRO  24  -9.569  -3.909   9.185
   84    HB3  PRO  24           HB1      PRO  24 -11.275  -3.957   9.637
   85    HG2  PRO  24           HG2      PRO  24  -9.980  -4.690   7.051
   86    HG3  PRO  24           HG1      PRO  24 -11.287  -5.512   7.918
   87    HD2  PRO  24           HD2      PRO  24 -11.677  -3.848   5.779
   88    HD3  PRO  24           HD1      PRO  24 -12.892  -4.131   7.039
   89    H    MET  25           HN       MET  25  -8.622  -1.668   9.704
   90    HA   MET  25           HA       MET  25  -7.398   0.046   7.858
   91    HB2  MET  25           HB2      MET  25  -6.165  -1.523  10.119
   92    HB3  MET  25           HB1      MET  25  -5.420  -0.157   9.302
   93    HG2  MET  25           HG2      MET  25  -8.018  -0.013  10.808
   94    HG3  MET  25           HG1      MET  25  -6.454   0.373  11.500
   95    HE1  MET  25           HE1      MET  25  -8.773   1.255   8.379
   96    HE2  MET  25           HE2      MET  25  -9.019   2.961   8.748
   97    HE3  MET  25           HE3      MET  25  -9.544   1.727   9.893
   98    HA   PRO  26           HA       PRO  26  -5.884  -2.759   4.760
   99    HB2  PRO  26           HB2      PRO  26  -3.887  -0.568   4.476
  100    HB3  PRO  26           HB1      PRO  26  -4.862  -1.366   3.241
  101    HG2  PRO  26           HG2      PRO  26  -5.507   1.065   4.079
  102    HG3  PRO  26           HG1      PRO  26  -6.774  -0.142   3.788
  103    HD2  PRO  26           HD2      PRO  26  -5.622   0.807   6.375
  104    HD3  PRO  26           HD1      PRO  26  -7.298   0.388   5.972
  105    H    SER  27           HN       SER  27  -3.939  -3.821   4.148
  106    HA   SER  27           HA       SER  27  -2.172  -4.348   6.396
  107    HB2  SER  27           HB2      SER  27  -3.169  -6.208   5.051
  108    HB3  SER  27           HB1      SER  27  -2.266  -5.632   3.663
  109    HG   SER  27           HG       SER  27  -1.142  -6.521   6.116
  110    H    TYR  28           HN       TYR  28   0.085  -4.005   6.336
  111    HA   TYR  28           HA       TYR  28   1.164  -2.664   4.005
  112    HB2  TYR  28           HB2      TYR  28   1.187  -1.452   6.785
  113    HB3  TYR  28           HB1      TYR  28   2.229  -0.911   5.475
  114    HD1  TYR  28           HD2      TYR  28  -1.202  -0.960   6.768
  115    HD2  TYR  28           HD1      TYR  28   1.317   0.393   3.615
  116    HE1  TYR  28           HE2      TYR  28  -2.966   0.576   6.014
  117    HE2  TYR  28           HE1      TYR  28  -0.439   1.906   2.842
  118    HH   TYR  28           HH       TYR  28  -2.898   2.114   3.000
  119    H    ARG  29           HN       ARG  29   2.877  -3.943   3.548
  120    HA   ARG  29           HA       ARG  29   4.670  -4.845   5.645
  121    HB2  ARG  29           HB2      ARG  29   3.194  -6.771   3.826
  122    HB3  ARG  29           HB1      ARG  29   4.520  -7.204   4.887
  123    HG2  ARG  29           HG2      ARG  29   1.861  -6.137   5.802
  124    HG3  ARG  29           HG1      ARG  29   2.328  -7.839   5.787
  125    HD2  ARG  29           HD2      ARG  29   4.192  -7.303   7.307
  126    HD3  ARG  29           HD1      ARG  29   3.642  -5.631   7.363
  127    HE   ARG  29           HE       ARG  29   2.101  -7.931   8.381
  128   HH11  ARG  29          HH11      ARG  29   2.889  -4.522   8.416
  129   HH12  ARG  29          HH12      ARG  29   2.060  -4.215   9.909
  130   HH21  ARG  29          HH21      ARG  29   0.993  -7.529  10.341
  131   HH22  ARG  29          HH22      ARG  29   0.963  -5.923  10.991
  132    H    CYS  30           HN       CYS  30   6.661  -4.437   4.841
  133    HA   CYS  30           HA       CYS  30   7.031  -3.801   2.098
  134    HB2  CYS  30           HB2      CYS  30   9.454  -3.628   2.717
  135    HB3  CYS  30           HB1      CYS  30   8.379  -2.653   3.712
  136    HG   CYS  30           HG       CYS  30  10.341  -5.242   4.565
  137    H    VAL  31           HN       VAL  31   7.611  -5.005   0.436
  138    HA   VAL  31           HA       VAL  31   7.901  -7.851   0.849
  139    HB   VAL  31           HB       VAL  31   7.845  -8.022  -1.601
  140   HG11  VAL  31          HG11      VAL  31   5.670  -6.324  -0.404
  141   HG12  VAL  31          HG12      VAL  31   5.775  -8.084  -0.334
  142   HG13  VAL  31          HG13      VAL  31   5.520  -7.274  -1.882
  143   HG21  VAL  31          HG21      VAL  31   8.917  -5.912  -2.185
  144   HG22  VAL  31          HG22      VAL  31   7.521  -5.028  -1.569
  145   HG23  VAL  31          HG23      VAL  31   7.352  -6.072  -2.980
  146    H    LYS  32           HN       LYS  32   9.864  -5.135  -0.187
  147    HA   LYS  32           HA       LYS  32  12.219  -6.855   0.061
  148    HB2  LYS  32           HB2      LYS  32  11.648  -6.451  -2.356
  149    HB3  LYS  32           HB1      LYS  32  11.858  -4.737  -2.050
  150    HG2  LYS  32           HG2      LYS  32  14.177  -5.037  -1.539
  151    HG3  LYS  32           HG1      LYS  32  14.015  -6.790  -1.663
  152    HD2  LYS  32           HD2      LYS  32  13.492  -6.606  -4.021
  153    HD3  LYS  32           HD1      LYS  32  13.531  -4.845  -3.917
  154    HE2  LYS  32           HE2      LYS  32  15.873  -6.654  -3.342
  155    HE3  LYS  32           HE1      LYS  32  15.597  -5.833  -4.876
  156    HZ1  LYS  32           HZ1      LYS  32  16.017  -4.513  -2.250
  157    HZ2  LYS  32           HZ2      LYS  32  15.717  -3.713  -3.707
  158    HZ3  LYS  32           HZ3      LYS  32  17.141  -4.601  -3.509
  159    H    GLU  33           HN       GLU  33  13.551  -6.044   1.520
  160    HA   GLU  33           HA       GLU  33  14.044  -3.187   1.671
  161    HB2  GLU  33           HB2      GLU  33  13.531  -2.906   3.958
  162    HB3  GLU  33           HB1      GLU  33  12.147  -3.738   3.272
  163    HG2  GLU  33           HG2      GLU  33  14.359  -5.075   4.815
  164    HG3  GLU  33           HG1      GLU  33  12.819  -4.566   5.499
  165    H    GLY  34           HN       GLY  34  16.007  -2.661   2.903
  166    HA2  GLY  34           HA2      GLY  34  17.833  -3.389   4.277
  167    HA3  GLY  34           HA1      GLY  34  17.599  -5.018   3.665
  168    H    GLY  35           HN       GLY  35  19.967  -3.249   3.789
  169    HA2  GLY  35           HA2      GLY  35  21.417  -4.026   1.657
  170    HA3  GLY  35           HA1      GLY  35  20.585  -2.600   1.042
  171    HA   PRO  36           HA       PRO  36  24.741  -1.738   3.460
  172    HB2  PRO  36           HB2      PRO  36  25.520  -0.228   1.163
  173    HB3  PRO  36           HB1      PRO  36  26.245  -1.715   1.770
  174    HG2  PRO  36           HG2      PRO  36  24.268  -1.324  -0.397
  175    HG3  PRO  36           HG1      PRO  36  25.476  -2.602  -0.190
  176    HD2  PRO  36           HD2      PRO  36  22.864  -3.066   0.193
  177    HD3  PRO  36           HD1      PRO  36  24.100  -3.847   1.203
  178    H    ALA  37           HN       ALA  37  23.861   0.657   1.023
  179    HA   ALA  37           HA       ALA  37  22.270   2.203   2.872
  180    HB1  ALA  37           HB1      ALA  37  24.610   2.893   3.386
  181    HB2  ALA  37           HB2      ALA  37  23.588   4.206   2.810
  182    HB3  ALA  37           HB3      ALA  37  24.759   3.463   1.725
  183    H    HIS  38           HN       HIS  38  23.968   2.158  -0.237
  184    HA   HIS  38           HA       HIS  38  22.074   3.781  -1.602
  185    HB2  HIS  38           HB2      HIS  38  23.179   3.045  -3.653
  186    HB3  HIS  38           HB1      HIS  38  24.381   3.447  -2.436
  187    HD1  HIS  38           HD1      HIS  38  25.925   1.587  -1.645
  188    HD2  HIS  38           HD2      HIS  38  23.010   0.276  -4.300
  189    HE1  HIS  38           HE1      HIS  38  26.526  -0.790  -2.182
  190    HE2  HIS  38           HE2      HIS  38  24.889  -1.474  -3.975
  191    H    ALA  39           HN       ALA  39  21.848   0.697  -0.375
  192    HA   ALA  39           HA       ALA  39  19.695   0.021  -2.249
  193    HB1  ALA  39           HB1      ALA  39  20.160  -2.331  -1.889
  194    HB2  ALA  39           HB2      ALA  39  21.461  -1.919  -0.776
  195    HB3  ALA  39           HB3      ALA  39  21.600  -1.507  -2.484
  196    H    LYS  40           HN       LYS  40  19.993   1.385   0.464
  197    HA   LYS  40           HA       LYS  40  18.369  -0.216   2.215
  198    HB2  LYS  40           HB2      LYS  40  20.106   1.559   2.900
  199    HB3  LYS  40           HB1      LYS  40  18.843   2.732   2.551
  200    HG2  LYS  40           HG2      LYS  40  18.956   2.176   4.929
  201    HG3  LYS  40           HG1      LYS  40  17.407   1.731   4.220
  202    HD2  LYS  40           HD2      LYS  40  17.952  -0.562   4.217
  203    HD3  LYS  40           HD1      LYS  40  19.662  -0.236   4.503
  204    HE2  LYS  40           HE2      LYS  40  18.518  -1.082   6.508
  205    HE3  LYS  40           HE1      LYS  40  19.174   0.537   6.745
  206    HZ1  LYS  40           HZ1      LYS  40  16.915   1.398   6.296
  207    HZ2  LYS  40           HZ2      LYS  40  16.999   0.429   7.677
  208    HZ3  LYS  40           HZ3      LYS  40  16.344  -0.195   6.251
  209    H    ARG  41           HN       ARG  41  17.440   0.591  -0.490
  210    HA   ARG  41           HA       ARG  41  15.210   2.362  -0.006
  211    HB2  ARG  41           HB2      ARG  41  14.620   1.712  -2.397
  212    HB3  ARG  41           HB1      ARG  41  16.138   2.567  -2.176
  213    HG2  ARG  41           HG2      ARG  41  17.382   0.520  -2.383
  214    HG3  ARG  41           HG1      ARG  41  15.891  -0.423  -2.424
  215    HD2  ARG  41           HD2      ARG  41  16.878  -0.111  -4.656
  216    HD3  ARG  41           HD1      ARG  41  15.266   0.586  -4.525
  217    HE   ARG  41           HE       ARG  41  17.314   2.502  -3.988
  218   HH11  ARG  41          HH11      ARG  41  15.647   0.826  -6.558
  219   HH12  ARG  41          HH12      ARG  41  15.866   2.102  -7.714
  220   HH21  ARG  41          HH21      ARG  41  17.629   4.180  -5.496
  221   HH22  ARG  41          HH22      ARG  41  17.008   4.015  -7.107
  222    H    PHE  42           HN       PHE  42  13.087   1.781  -0.007
  223    HA   PHE  42           HA       PHE  42  12.615  -1.046   0.629
  224    HB2  PHE  42           HB2      PHE  42  11.100   1.381   1.608
  225    HB3  PHE  42           HB1      PHE  42  10.768  -0.290   2.058
  226    HD1  PHE  42           HD2      PHE  42  13.222   2.449   2.332
  227    HD2  PHE  42           HD1      PHE  42  12.016  -1.380   3.701
  228    HE1  PHE  42           HE2      PHE  42  14.797   2.634   4.216
  229    HE2  PHE  42           HE1      PHE  42  13.586  -1.209   5.597
  230    HZ   PHE  42           HZ       PHE  42  15.070   0.813   5.768
  231    H    THR  43           HN       THR  43  11.201  -2.144  -0.505
  232    HA   THR  43           HA       THR  43   9.364  -0.693  -2.293
  233    HB   THR  43           HB       THR  43  10.520  -3.451  -2.809
  234    HG1  THR  43           HG1      THR  43  11.487  -0.880  -3.428
  235   HG21  THR  43          HG21      THR  43   9.738  -3.039  -5.100
  236   HG22  THR  43          HG22      THR  43   9.097  -1.475  -4.602
  237   HG23  THR  43          HG23      THR  43   8.407  -2.960  -3.946
  238    H    PHE  44           HN       PHE  44   7.186  -1.132  -1.790
  239    HA   PHE  44           HA       PHE  44   6.680  -3.472  -0.138
  240    HB2  PHE  44           HB2      PHE  44   6.743  -2.078   1.666
  241    HB3  PHE  44           HB1      PHE  44   6.687  -0.641   0.663
  242    HD1  PHE  44           HD2      PHE  44   4.524  -3.372   1.924
  243    HD2  PHE  44           HD1      PHE  44   4.806   0.687   0.711
  244    HE1  PHE  44           HE2      PHE  44   2.217  -2.983   2.674
  245    HE2  PHE  44           HE1      PHE  44   2.508   1.079   1.475
  246    HZ   PHE  44           HZ       PHE  44   1.157  -0.759   2.265
  247    H    GLY  45           HN       GLY  45   4.438  -4.120  -0.179
  248    HA2  GLY  45           HA2      GLY  45   2.852  -2.825  -2.309
  249    HA3  GLY  45           HA1      GLY  45   2.941  -4.572  -2.128
  250    H    VAL  46           HN       VAL  46   0.695  -2.494  -1.897
  251    HA   VAL  46           HA       VAL  46  -0.119  -2.989   0.898
  252    HB   VAL  46           HB       VAL  46  -1.719  -1.155  -0.785
  253   HG11  VAL  46          HG11      VAL  46  -0.747  -1.190   2.052
  254   HG12  VAL  46          HG12      VAL  46  -2.389  -1.411   1.452
  255   HG13  VAL  46          HG13      VAL  46  -1.620   0.173   1.357
  256   HG21  VAL  46          HG21      VAL  46   1.028  -0.375   0.162
  257   HG22  VAL  46          HG22      VAL  46  -0.199   0.740  -0.440
  258   HG23  VAL  46          HG23      VAL  46   0.480  -0.485  -1.511
  259    H    ARG  47           HN       ARG  47  -2.355  -3.627   1.294
  260    HA   ARG  47           HA       ARG  47  -3.945  -4.360  -0.998
  261    HB2  ARG  47           HB2      ARG  47  -4.320  -6.650  -0.103
  262    HB3  ARG  47           HB1      ARG  47  -2.652  -6.397  -0.602
  263    HG2  ARG  47           HG2      ARG  47  -2.156  -5.893   1.827
  264    HG3  ARG  47           HG1      ARG  47  -3.766  -6.513   2.181
  265    HD2  ARG  47           HD2      ARG  47  -2.293  -8.319   2.508
  266    HD3  ARG  47           HD1      ARG  47  -3.075  -8.615   0.957
  267    HE   ARG  47           HE       ARG  47  -1.048  -7.902  -0.131
  268   HH11  ARG  47          HH11      ARG  47  -0.802  -8.495   3.315
  269   HH12  ARG  47          HH12      ARG  47   0.914  -8.729   3.280
  270   HH21  ARG  47          HH21      ARG  47   1.226  -8.190  -0.179
  271   HH22  ARG  47          HH22      ARG  47   2.063  -8.549   1.300
  272    H    VAL  48           HN       VAL  48  -6.108  -4.260  -0.528
  273    HA   VAL  48           HA       VAL  48  -6.849  -3.610   2.268
  274    HB   VAL  48           HB       VAL  48  -7.994  -2.404  -0.259
  275   HG11  VAL  48          HG11      VAL  48  -9.287  -0.959   1.234
  276   HG12  VAL  48          HG12      VAL  48  -8.683  -1.862   2.622
  277   HG13  VAL  48          HG13      VAL  48  -9.716  -2.658   1.433
  278   HG21  VAL  48          HG21      VAL  48  -5.740  -1.599   0.404
  279   HG22  VAL  48          HG22      VAL  48  -6.427  -1.081   1.943
  280   HG23  VAL  48          HG23      VAL  48  -6.982  -0.350   0.440
  281    H    ASN  49           HN       ASN  49  -9.005  -4.245   2.917
  282    HA   ASN  49           HA       ASN  49  -9.887  -6.631   1.487
  283    HB2  ASN  49           HB2      ASN  49  -9.544  -6.763   3.942
  284    HB3  ASN  49           HB1      ASN  49 -10.814  -5.562   4.159
  285   HD21  ASN  49          HD21      ASN  49 -12.087  -6.969   5.347
  286   HD22  ASN  49          HD22      ASN  49 -12.939  -8.284   4.618
  287    H    THR  50           HN       THR  50 -10.716  -5.526  -0.222
  288    HA   THR  50           HA       THR  50 -12.882  -3.665  -0.016
  289    HB   THR  50           HB       THR  50 -13.352  -4.171  -2.425
  290    HG1  THR  50           HG1      THR  50 -11.170  -5.976  -2.032
  291   HG21  THR  50          HG21      THR  50 -11.850  -2.374  -1.807
  292   HG22  THR  50          HG22      THR  50 -11.246  -3.187  -3.252
  293   HG23  THR  50          HG23      THR  50 -10.504  -3.506  -1.683
  294    H    SER  51           HN       SER  51 -14.758  -3.992   0.647
  295    HA   SER  51           HA       SER  51 -15.801  -6.338   1.575
  296    HB2  SER  51           HB2      SER  51 -17.963  -5.049   1.591
  297    HB3  SER  51           HB1      SER  51 -16.577  -4.215   2.301
  298    HG   SER  51           HG       SER  51 -18.023  -3.069   0.684
  299    H    ASP  52           HN       ASP  52 -15.964  -5.105  -1.702
  300    HA   ASP  52           HA       ASP  52 -18.046  -6.956  -2.454
  301    HB2  ASP  52           HB2      ASP  52 -17.783  -5.963  -4.698
  302    HB3  ASP  52           HB1      ASP  52 -18.065  -4.765  -3.441
  303    H    ARG  53           HN       ARG  53 -14.587  -7.110  -2.331
  304    HA   ARG  53           HA       ARG  53 -14.700  -9.498  -4.028
  305    HB2  ARG  53           HB2      ARG  53 -13.959  -7.693  -5.479
  306    HB3  ARG  53           HB1      ARG  53 -12.691  -7.269  -4.340
  307    HG2  ARG  53           HG2      ARG  53 -11.622  -9.425  -4.715
  308    HG3  ARG  53           HG1      ARG  53 -12.904  -9.866  -5.847
  309    HD2  ARG  53           HD2      ARG  53 -12.287  -7.976  -7.269
  310    HD3  ARG  53           HD1      ARG  53 -11.004  -7.549  -6.141
  311    HE   ARG  53           HE       ARG  53 -10.375 -10.076  -6.742
  312   HH11  ARG  53          HH11      ARG  53 -11.237  -7.359  -8.764
  313   HH12  ARG  53          HH12      ARG  53 -10.248  -7.870 -10.095
  314   HH21  ARG  53          HH21      ARG  53  -9.088 -10.773  -8.495
  315   HH22  ARG  53          HH22      ARG  53  -9.043  -9.826  -9.947
  316    H    GLY  54           HN       GLY  54 -12.775  -7.578  -1.768
  317    HA2  GLY  54           HA2      GLY  54 -11.959  -8.865   0.196
  318    HA3  GLY  54           HA1      GLY  54 -11.416 -10.065  -0.961
  319    H    TRP  55           HN       TRP  55  -9.311  -9.926  -0.184
  320    HA   TRP  55           HA       TRP  55  -7.748  -7.652   0.012
  321    HB2  TRP  55           HB2      TRP  55  -7.125 -10.511  -0.596
  322    HB3  TRP  55           HB1      TRP  55  -5.855  -9.313  -0.771
  323    HD1  TRP  55           HD1      TRP  55  -6.604 -11.751   1.583
  324    HE1  TRP  55           HE1      TRP  55  -6.051 -11.077   4.004
  325    HE3  TRP  55           HE3      TRP  55  -6.336  -6.687   0.977
  326    HZ2  TRP  55           HZ2      TRP  55  -5.555  -8.700   5.451
  327    HZ3  TRP  55           HZ3      TRP  55  -5.816  -5.291   2.927
  328    HH2  TRP  55           HH2      TRP  55  -5.444  -6.270   5.119
  329    H    THR  56           HN       THR  56  -7.297  -6.149  -1.387
  330    HA   THR  56           HA       THR  56  -7.816  -6.293  -4.153
  331    HB   THR  56           HB       THR  56  -6.555  -4.139  -4.269
  332    HG1  THR  56           HG1      THR  56  -5.059  -4.163  -2.705
  333   HG21  THR  56          HG21      THR  56  -8.942  -4.150  -3.771
  334   HG22  THR  56          HG22      THR  56  -8.125  -2.867  -2.880
  335   HG23  THR  56          HG23      THR  56  -8.591  -4.353  -2.055
  336    H    ASP  57           HN       ASP  57  -6.195  -5.914  -5.897
  337    HA   ASP  57           HA       ASP  57  -4.036  -7.720  -5.859
  338    HB2  ASP  57           HB2      ASP  57  -4.559  -5.318  -7.622
  339    HB3  ASP  57           HB1      ASP  57  -3.231  -6.438  -7.880
  340    H    GLU  58           HN       GLU  58  -1.949  -7.484  -5.331
  341    HA   GLU  58           HA       GLU  58  -1.282  -5.677  -3.325
  342    HB2  GLU  58           HB2      GLU  58  -0.257  -7.921  -3.775
  343    HB3  GLU  58           HB1      GLU  58   0.647  -7.166  -5.069
  344    HG2  GLU  58           HG2      GLU  58   1.841  -5.793  -3.550
  345    HG3  GLU  58           HG1      GLU  58   0.799  -6.280  -2.209
  346    H    CYS  59           HN       CYS  59  -0.979  -3.629  -3.507
  347    HA   CYS  59           HA       CYS  59  -0.126  -2.456  -6.036
  348    HB2  CYS  59           HB2      CYS  59  -1.025  -1.087  -3.490
  349    HB3  CYS  59           HB1      CYS  59  -0.776  -0.312  -5.055
  350    HG   CYS  59           HG       CYS  59  -2.964  -2.868  -5.055
  351    H    ILE  60           HN       ILE  60   2.028  -2.776  -6.200
  352    HA   ILE  60           HA       ILE  60   3.800  -2.315  -3.984
  353    HB   ILE  60           HB       ILE  60   4.482  -2.782  -6.884
  354   HG12  ILE  60          HG12      ILE  60   3.089  -4.599  -5.774
  355   HG13  ILE  60          HG11      ILE  60   4.639  -5.101  -6.440
  356   HG21  ILE  60          HG21      ILE  60   6.091  -3.043  -4.361
  357   HG22  ILE  60          HG22      ILE  60   6.292  -1.821  -5.617
  358   HG23  ILE  60          HG23      ILE  60   6.644  -3.512  -5.970
  359   HD11  ILE  60          HD11      ILE  60   5.622  -5.126  -4.267
  360   HD12  ILE  60          HD12      ILE  60   4.136  -6.078  -4.237
  361   HD13  ILE  60          HD13      ILE  60   4.161  -4.451  -3.557
  362    H    GLY  61           HN       GLY  61   4.675  -0.431  -3.477
  363    HA2  GLY  61           HA2      GLY  61   4.273   1.875  -5.179
  364    HA3  GLY  61           HA1      GLY  61   4.991   1.872  -3.573
  365    H    GLU  62           HN       GLU  62   6.422   3.428  -4.794
  366    HA   GLU  62           HA       GLU  62   8.383   2.146  -6.520
  367    HB2  GLU  62           HB2      GLU  62   8.255   5.007  -5.539
  368    HB3  GLU  62           HB1      GLU  62   9.277   4.389  -6.829
  369    HG2  GLU  62           HG2      GLU  62   7.214   3.805  -8.093
  370    HG3  GLU  62           HG1      GLU  62   6.276   4.609  -6.836
  371    HA   PRO  63           HA       PRO  63  11.308   1.252  -3.286
  372    HB2  PRO  63           HB2      PRO  63  13.334   2.266  -5.213
  373    HB3  PRO  63           HB1      PRO  63  13.261   0.715  -4.368
  374    HG2  PRO  63           HG2      PRO  63  12.678   0.897  -6.966
  375    HG3  PRO  63           HG1      PRO  63  11.785  -0.199  -5.896
  376    HD2  PRO  63           HD2      PRO  63  10.961   2.438  -7.026
  377    HD3  PRO  63           HD1      PRO  63   9.990   0.987  -6.713
  378    H    MET  64           HN       MET  64  11.329   2.649  -1.615
  379    HA   MET  64           HA       MET  64  12.156   5.427  -2.131
  380    HB2  MET  64           HB2      MET  64  10.308   4.366   0.008
  381    HB3  MET  64           HB1      MET  64  10.794   6.045  -0.179
  382    HG2  MET  64           HG2      MET  64   9.202   4.429  -2.155
  383    HG3  MET  64           HG1      MET  64   8.581   5.666  -1.072
  384    HE1  MET  64           HE1      MET  64   8.918   8.180  -1.313
  385    HE2  MET  64           HE2      MET  64   9.967   8.956  -2.500
  386    HE3  MET  64           HE3      MET  64  10.669   8.008  -1.189
  387    HA   PRO  65           HA       PRO  65  15.552   4.466   0.488
  388    HB2  PRO  65           HB2      PRO  65  16.513   6.924   0.960
  389    HB3  PRO  65           HB1      PRO  65  16.564   6.196  -0.650
  390    HG2  PRO  65           HG2      PRO  65  14.645   8.206   0.458
  391    HG3  PRO  65           HG1      PRO  65  15.422   8.162  -1.134
  392    HD2  PRO  65           HD2      PRO  65  12.858   7.319  -0.659
  393    HD3  PRO  65           HD1      PRO  65  13.872   6.707  -1.980
  394    H    SER  66           HN       SER  66  12.770   5.198   1.818
  395    HA   SER  66           HA       SER  66  13.783   5.120   4.505
  396    HB2  SER  66           HB2      SER  66  12.047   7.451   3.642
  397    HB3  SER  66           HB1      SER  66  12.600   7.119   5.281
  398    HG   SER  66           HG       SER  66  14.760   7.155   3.803
  399    H    VAL  67           HN       VAL  67  12.280   4.280   5.915
  400    HA   VAL  67           HA       VAL  67  10.552   2.437   4.626
  401    HB   VAL  67           HB       VAL  67  10.293   2.837   7.557
  402   HG11  VAL  67          HG11      VAL  67   9.161   1.006   6.444
  403   HG12  VAL  67          HG12      VAL  67  10.397   0.388   7.542
  404   HG13  VAL  67          HG13      VAL  67  10.696   0.422   5.803
  405   HG21  VAL  67          HG21      VAL  67  12.653   3.269   7.290
  406   HG22  VAL  67          HG22      VAL  67  12.834   1.840   6.275
  407   HG23  VAL  67          HG23      VAL  67  12.423   1.663   7.981
  408    H    LYS  68           HN       LYS  68   9.962   5.366   6.495
  409    HA   LYS  68           HA       LYS  68   7.179   4.870   6.833
  410    HB2  LYS  68           HB2      LYS  68   8.759   7.430   7.092
  411    HB3  LYS  68           HB1      LYS  68   7.089   7.223   7.597
  412    HG2  LYS  68           HG2      LYS  68   7.768   5.541   9.216
  413    HG3  LYS  68           HG1      LYS  68   9.444   5.702   8.691
  414    HD2  LYS  68           HD2      LYS  68   9.445   8.040   9.399
  415    HD3  LYS  68           HD1      LYS  68   7.765   7.886   9.917
  416    HE2  LYS  68           HE2      LYS  68   8.446   6.146  11.522
  417    HE3  LYS  68           HE1      LYS  68  10.123   6.368  11.027
  418    HZ1  LYS  68           HZ1      LYS  68   9.958   8.684  11.766
  419    HZ2  LYS  68           HZ2      LYS  68   9.696   7.592  13.026
  420    HZ3  LYS  68           HZ3      LYS  68   8.387   8.397  12.320
  421    H    LYS  69           HN       LYS  69   9.082   6.704   4.493
  422    HA   LYS  69           HA       LYS  69   6.716   7.751   3.216
  423    HB2  LYS  69           HB2      LYS  69   8.186   8.872   1.700
  424    HB3  LYS  69           HB1      LYS  69   8.843   9.041   3.318
  425    HG2  LYS  69           HG2      LYS  69  10.301   7.036   2.736
  426    HG3  LYS  69           HG1      LYS  69   9.816   7.333   1.069
  427    HD2  LYS  69           HD2      LYS  69  11.258   9.240   2.908
  428    HD3  LYS  69           HD1      LYS  69  11.919   8.442   1.483
  429    HE2  LYS  69           HE2      LYS  69  10.354   9.674   0.067
  430    HE3  LYS  69           HE1      LYS  69   9.672  10.455   1.491
  431    HZ1  LYS  69           HZ1      LYS  69  11.251  11.899   0.403
  432    HZ2  LYS  69           HZ2      LYS  69  12.466  10.733   0.524
  433    HZ3  LYS  69           HZ3      LYS  69  11.844  11.449   1.921
  434    H    ALA  70           HN       ALA  70   8.699   4.957   2.984
  435    HA   ALA  70           HA       ALA  70   8.129   4.120   0.387
  436    HB1  ALA  70           HB1      ALA  70   9.775   3.009   1.813
  437    HB2  ALA  70           HB2      ALA  70   8.590   1.859   1.185
  438    HB3  ALA  70           HB3      ALA  70   8.477   2.420   2.854
  439    H    LYS  71           HN       LYS  71   6.428   3.220   3.404
  440    HA   LYS  71           HA       LYS  71   4.301   1.909   2.199
  441    HB2  LYS  71           HB2      LYS  71   3.252   1.860   4.267
  442    HB3  LYS  71           HB1      LYS  71   4.953   1.996   4.671
  443    HG2  LYS  71           HG2      LYS  71   4.760   4.185   5.365
  444    HG3  LYS  71           HG1      LYS  71   3.267   4.421   4.456
  445    HD2  LYS  71           HD2      LYS  71   2.783   4.305   6.838
  446    HD3  LYS  71           HD1      LYS  71   2.097   2.910   6.009
  447    HE2  LYS  71           HE2      LYS  71   3.095   2.136   8.035
  448    HE3  LYS  71           HE1      LYS  71   4.113   1.605   6.699
  449    HZ1  LYS  71           HZ1      LYS  71   5.613   3.441   7.159
  450    HZ2  LYS  71           HZ2      LYS  71   5.428   2.470   8.527
  451    HZ3  LYS  71           HZ3      LYS  71   4.631   3.956   8.436
  452    H    ASP  72           HN       ASP  72   4.582   5.308   3.123
  453    HA   ASP  72           HA       ASP  72   2.097   6.198   2.328
  454    HB2  ASP  72           HB2      ASP  72   4.771   7.504   2.464
  455    HB3  ASP  72           HB1      ASP  72   3.473   8.357   1.639
  456    H    SER  73           HN       SER  73   4.991   5.821   0.252
  457    HA   SER  73           HA       SER  73   3.907   6.961  -2.044
  458    HB2  SER  73           HB2      SER  73   6.302   6.468  -1.762
  459    HB3  SER  73           HB1      SER  73   5.955   4.740  -1.821
  460    HG   SER  73           HG       SER  73   5.283   6.520  -3.924
  461    H    ALA  74           HN       ALA  74   3.850   3.584  -0.942
  462    HA   ALA  74           HA       ALA  74   2.570   2.593  -3.296
  463    HB1  ALA  74           HB1      ALA  74   3.922   1.232  -1.684
  464    HB2  ALA  74           HB2      ALA  74   2.362   0.536  -2.122
  465    HB3  ALA  74           HB3      ALA  74   2.561   1.338  -0.562
  466    H    ALA  75           HN       ALA  75   1.472   3.518  -0.087
  467    HA   ALA  75           HA       ALA  75  -1.224   2.906  -0.280
  468    HB1  ALA  75           HB1      ALA  75  -1.575   4.502   1.507
  469    HB2  ALA  75           HB2      ALA  75  -0.003   5.237   1.193
  470    HB3  ALA  75           HB3      ALA  75  -0.096   3.578   1.796
  471    H    VAL  76           HN       VAL  76   0.518   5.725  -1.556
  472    HA   VAL  76           HA       VAL  76  -1.737   7.270  -2.253
  473    HB   VAL  76           HB       VAL  76   1.004   7.189  -3.535
  474   HG11  VAL  76          HG11      VAL  76  -1.172   9.263  -3.815
  475   HG12  VAL  76          HG12      VAL  76  -0.649   8.140  -5.070
  476   HG13  VAL  76          HG13      VAL  76   0.458   9.379  -4.477
  477   HG21  VAL  76          HG21      VAL  76  -0.179   9.064  -1.490
  478   HG22  VAL  76          HG22      VAL  76   1.425   9.201  -2.212
  479   HG23  VAL  76          HG23      VAL  76   1.037   7.822  -1.182
  480    H    LEU  77           HN       LEU  77  -0.056   4.644  -3.858
  481    HA   LEU  77           HA       LEU  77  -1.458   4.891  -6.356
  482    HB2  LEU  77           HB2      LEU  77   0.078   2.560  -5.189
  483    HB3  LEU  77           HB1      LEU  77  -0.458   2.697  -6.847
  484    HG   LEU  77           HG       LEU  77   1.553   4.521  -5.533
  485   HD11  LEU  77          HD11      LEU  77   2.391   2.240  -5.837
  486   HD12  LEU  77          HD12      LEU  77   3.202   3.387  -6.902
  487   HD13  LEU  77          HD13      LEU  77   1.958   2.314  -7.544
  488   HD21  LEU  77          HD21      LEU  77   1.963   5.308  -7.824
  489   HD22  LEU  77          HD22      LEU  77   0.320   5.652  -7.286
  490   HD23  LEU  77          HD23      LEU  77   0.622   4.313  -8.394
  491    H    LEU  78           HN       LEU  78  -1.769   3.151  -3.380
  492    HA   LEU  78           HA       LEU  78  -3.825   1.355  -4.059
  493    HB2  LEU  78           HB2      LEU  78  -2.472   1.072  -2.101
  494    HB3  LEU  78           HB1      LEU  78  -2.977   2.627  -1.477
  495    HG   LEU  78           HG       LEU  78  -5.324   1.665  -1.366
  496   HD11  LEU  78          HD11      LEU  78  -5.544  -0.727  -1.318
  497   HD12  LEU  78          HD12      LEU  78  -3.817  -0.937  -1.595
  498   HD13  LEU  78          HD13      LEU  78  -4.835  -0.257  -2.863
  499   HD21  LEU  78          HD21      LEU  78  -3.277   0.326   0.381
  500   HD22  LEU  78          HD22      LEU  78  -4.924   0.797   0.803
  501   HD23  LEU  78          HD23      LEU  78  -3.690   2.032   0.522
  502    H    LEU  79           HN       LEU  79  -3.861   4.632  -2.699
  503    HA   LEU  79           HA       LEU  79  -6.622   4.870  -2.315
  504    HB2  LEU  79           HB2      LEU  79  -4.335   6.717  -2.563
  505    HB3  LEU  79           HB1      LEU  79  -5.905   7.411  -2.897
  506    HG   LEU  79           HG       LEU  79  -6.696   6.805  -0.680
  507   HD11  LEU  79          HD11      LEU  79  -5.148   5.853   0.979
  508   HD12  LEU  79          HD12      LEU  79  -3.957   5.605  -0.298
  509   HD13  LEU  79          HD13      LEU  79  -5.493   4.739  -0.342
  510   HD21  LEU  79          HD21      LEU  79  -5.563   8.942  -0.949
  511   HD22  LEU  79          HD22      LEU  79  -4.011   8.175  -0.607
  512   HD23  LEU  79          HD23      LEU  79  -5.248   8.261   0.648
  513    H    GLU  80           HN       GLU  80  -4.697   5.091  -5.206
  514    HA   GLU  80           HA       GLU  80  -6.684   6.287  -6.862
  515    HB2  GLU  80           HB2      GLU  80  -4.364   4.487  -7.582
  516    HB3  GLU  80           HB1      GLU  80  -5.272   5.507  -8.702
  517    HG2  GLU  80           HG2      GLU  80  -3.762   6.582  -6.340
  518    HG3  GLU  80           HG1      GLU  80  -3.061   6.408  -7.941
  519    H    LEU  81           HN       LEU  81  -5.779   3.013  -6.021
  520    HA   LEU  81           HA       LEU  81  -7.441   1.632  -7.841
  521    HB2  LEU  81           HB2      LEU  81  -5.532   0.646  -6.654
  522    HB3  LEU  81           HB1      LEU  81  -6.402   0.814  -5.160
  523    HG   LEU  81           HG       LEU  81  -8.112  -0.753  -5.973
  524   HD11  LEU  81          HD11      LEU  81  -6.259  -1.076  -8.325
  525   HD12  LEU  81          HD12      LEU  81  -7.877  -0.377  -8.360
  526   HD13  LEU  81          HD13      LEU  81  -7.663  -2.084  -7.976
  527   HD21  LEU  81          HD21      LEU  81  -6.241  -1.534  -4.613
  528   HD22  LEU  81          HD22      LEU  81  -5.293  -1.814  -6.073
  529   HD23  LEU  81          HD23      LEU  81  -6.751  -2.761  -5.772
  530    H    LEU  82           HN       LEU  82  -7.739   2.530  -4.478
  531    HA   LEU  82           HA       LEU  82 -10.361   1.529  -4.084
  532    HB2  LEU  82           HB2      LEU  82  -8.951   3.702  -2.543
  533    HB3  LEU  82           HB1      LEU  82 -10.293   2.724  -1.992
  534    HG   LEU  82           HG       LEU  82  -7.476   1.802  -2.517
  535   HD11  LEU  82          HD11      LEU  82  -9.081   1.788   0.028
  536   HD12  LEU  82          HD12      LEU  82  -7.924   3.042  -0.412
  537   HD13  LEU  82          HD13      LEU  82  -7.376   1.385  -0.170
  538   HD21  LEU  82          HD21      LEU  82  -8.236  -0.415  -1.787
  539   HD22  LEU  82          HD22      LEU  82  -9.029   0.101  -3.277
  540   HD23  LEU  82          HD23      LEU  82  -9.898   0.175  -1.748
  541    H    ASN  83           HN       ASN  83  -9.201   4.253  -5.684
  542    HA   ASN  83           HA       ASN  83 -11.641   5.812  -5.357
  543    HB2  ASN  83           HB2      ASN  83  -9.367   6.890  -5.537
  544    HB3  ASN  83           HB1      ASN  83  -9.312   6.352  -7.212
  545   HD21  ASN  83          HD21      ASN  83 -10.824   8.495  -4.937
  546   HD22  ASN  83          HD22      ASN  83 -11.564   9.536  -6.104
  547    H    LYS  84           HN       LYS  84 -10.648   3.216  -7.103
  548    HA   LYS  84           HA       LYS  84 -12.232   3.891  -9.477
  549    HB2  LYS  84           HB2      LYS  84 -10.128   1.769  -9.028
  550    HB3  LYS  84           HB1      LYS  84 -11.083   1.904 -10.500
  551    HG2  LYS  84           HG2      LYS  84 -10.112   3.966 -11.064
  552    HG3  LYS  84           HG1      LYS  84  -9.423   4.169  -9.456
  553    HD2  LYS  84           HD2      LYS  84  -7.929   2.272  -9.863
  554    HD3  LYS  84           HD1      LYS  84  -8.628   2.068 -11.472
  555    HE2  LYS  84           HE2      LYS  84  -7.130   4.486 -10.470
  556    HE3  LYS  84           HE1      LYS  84  -6.511   3.272 -11.587
  557    HZ1  LYS  84           HZ1      LYS  84  -8.748   5.161 -12.076
  558    HZ2  LYS  84           HZ2      LYS  84  -8.313   3.910 -13.128
  559    HZ3  LYS  84           HZ3      LYS  84  -7.229   5.169 -12.821
  560    H    THR  85           HN       THR  85 -13.554   3.347  -7.138
  561    HA   THR  85           HA       THR  85 -15.140   1.084  -7.921
  562    HB   THR  85           HB       THR  85 -13.704  -0.212  -6.604
  563    HG1  THR  85           HG1      THR  85 -15.841   0.628  -4.909
  564   HG21  THR  85          HG21      THR  85 -12.420   1.586  -5.581
  565   HG22  THR  85          HG22      THR  85 -12.917   0.404  -4.370
  566   HG23  THR  85          HG23      THR  85 -13.764   1.946  -4.500
  Start of MODEL   16
    1    H1   ASN  15           HT1      ASN  15  -5.799   6.631   4.030
    2    H2   ASN  15           HT2      ASN  15  -4.442   6.050   4.848
    3    H3   ASN  15           HT3      ASN  15  -5.425   7.216   5.575
    4    HA   ASN  15           HA       ASN  15  -6.173   4.423   4.939
    5    HB2  ASN  15           HB2      ASN  15  -4.652   4.799   6.910
    6    HB3  ASN  15           HB1      ASN  15  -5.918   5.784   7.629
    7   HD21  ASN  15          HD21      ASN  15  -6.089   4.412   9.391
    8   HD22  ASN  15          HD22      ASN  15  -6.840   2.856   9.274
    9    H    ASP  16           HN       ASP  16  -7.195   7.644   5.366
   10    HA   ASP  16           HA       ASP  16  -9.653   7.327   6.680
   11    HB2  ASP  16           HB2      ASP  16  -8.537   9.491   6.371
   12    HB3  ASP  16           HB1      ASP  16  -8.834   9.405   4.642
   13    H    ILE  17           HN       ILE  17  -8.811   7.278   3.264
   14    HA   ILE  17           HA       ILE  17 -11.402   7.207   2.229
   15    HB   ILE  17           HB       ILE  17  -8.840   6.135   1.053
   16   HG12  ILE  17          HG12      ILE  17  -9.156   8.154  -0.442
   17   HG13  ILE  17          HG11      ILE  17 -10.448   8.657   0.633
   18   HG21  ILE  17          HG21      ILE  17 -11.525   6.464  -0.285
   19   HG22  ILE  17          HG22      ILE  17 -10.729   4.935   0.083
   20   HG23  ILE  17          HG23      ILE  17 -10.016   6.039  -1.092
   21   HD11  ILE  17          HD11      ILE  17  -8.910   8.882   2.454
   22   HD12  ILE  17          HD12      ILE  17  -8.326   9.805   1.067
   23   HD13  ILE  17          HD13      ILE  17  -7.592   8.250   1.465
   24    H    CYS  18           HN       CYS  18  -9.285   4.625   3.334
   25    HA   CYS  18           HA       CYS  18 -10.969   2.484   2.478
   26    HB2  CYS  18           HB2      CYS  18  -8.580   2.126   2.827
   27    HB3  CYS  18           HB1      CYS  18  -8.736   2.575   4.521
   28    HG   CYS  18           HG       CYS  18 -10.479   0.337   5.036
   29    H    LEU  19           HN       LEU  19 -10.483   4.277   5.449
   30    HA   LEU  19           HA       LEU  19 -12.134   2.783   7.154
   31    HB2  LEU  19           HB2      LEU  19 -10.511   4.567   7.784
   32    HB3  LEU  19           HB1      LEU  19 -11.653   5.753   7.206
   33    HG   LEU  19           HG       LEU  19 -13.271   5.030   8.913
   34   HD11  LEU  19          HD11      LEU  19 -12.537   3.536  10.715
   35   HD12  LEU  19          HD12      LEU  19 -11.038   3.225   9.839
   36   HD13  LEU  19          HD13      LEU  19 -12.582   2.712   9.157
   37   HD21  LEU  19          HD21      LEU  19 -12.082   5.942  10.843
   38   HD22  LEU  19          HD22      LEU  19 -11.747   6.871   9.382
   39   HD23  LEU  19          HD23      LEU  19 -10.547   5.735   9.998
   40    H    ARG  20           HN       ARG  20 -12.800   5.748   5.311
   41    HA   ARG  20           HA       ARG  20 -15.513   6.015   5.772
   42    HB2  ARG  20           HB2      ARG  20 -14.154   7.682   4.611
   43    HB3  ARG  20           HB1      ARG  20 -13.955   6.598   3.247
   44    HG2  ARG  20           HG2      ARG  20 -16.408   6.676   2.887
   45    HG3  ARG  20           HG1      ARG  20 -16.516   7.882   4.170
   46    HD2  ARG  20           HD2      ARG  20 -15.101   9.393   2.914
   47    HD3  ARG  20           HD1      ARG  20 -14.863   8.174   1.664
   48    HE   ARG  20           HE       ARG  20 -17.627   8.830   2.100
   49   HH11  ARG  20          HH11      ARG  20 -14.706   9.763   0.396
   50   HH12  ARG  20          HH12      ARG  20 -15.560  10.593  -0.864
   51   HH21  ARG  20          HH21      ARG  20 -18.744   9.919   0.440
   52   HH22  ARG  20          HH22      ARG  20 -17.854  10.689  -0.837
   53    H    LYS  21           HN       LYS  21 -13.842   3.923   3.506
   54    HA   LYS  21           HA       LYS  21 -16.135   3.152   2.008
   55    HB2  LYS  21           HB2      LYS  21 -13.282   2.439   2.140
   56    HB3  LYS  21           HB1      LYS  21 -14.342   1.151   1.587
   57    HG2  LYS  21           HG2      LYS  21 -14.228   3.909   0.394
   58    HG3  LYS  21           HG1      LYS  21 -13.402   2.485  -0.247
   59    HD2  LYS  21           HD2      LYS  21 -15.565   1.351  -0.470
   60    HD3  LYS  21           HD1      LYS  21 -16.366   2.806   0.122
   61    HE2  LYS  21           HE2      LYS  21 -15.528   4.057  -1.792
   62    HE3  LYS  21           HE1      LYS  21 -14.669   2.631  -2.360
   63    HZ1  LYS  21           HZ1      LYS  21 -17.611   2.896  -2.109
   64    HZ2  LYS  21           HZ2      LYS  21 -16.796   1.510  -2.620
   65    HZ3  LYS  21           HZ3      LYS  21 -16.730   2.917  -3.553
   66    H    ASN  22           HN       ASN  22 -15.466   2.552   5.088
   67    HA   ASN  22           HA       ASN  22 -16.210   1.178   6.673
   68    HB2  ASN  22           HB2      ASN  22 -17.950   0.116   4.447
   69    HB3  ASN  22           HB1      ASN  22 -18.087  -0.312   6.136
   70   HD21  ASN  22          HD21      ASN  22 -18.634   2.136   3.769
   71   HD22  ASN  22          HD22      ASN  22 -19.593   3.170   4.770
   72    H    TRP  23           HN       TRP  23 -13.939   0.464   4.899
   73    HA   TRP  23           HA       TRP  23 -13.978  -2.457   5.101
   74    HB2  TRP  23           HB2      TRP  23 -11.863  -0.611   3.970
   75    HB3  TRP  23           HB1      TRP  23 -11.823  -2.366   3.914
   76    HD1  TRP  23           HD1      TRP  23 -15.026  -2.539   2.989
   77    HE1  TRP  23           HE1      TRP  23 -15.515  -2.055   0.494
   78    HE3  TRP  23           HE3      TRP  23 -10.765  -0.017   1.831
   79    HZ2  TRP  23           HZ2      TRP  23 -14.208  -0.760  -1.680
   80    HZ3  TRP  23           HZ3      TRP  23 -10.446   0.799  -0.455
   81    HH2  TRP  23           HH2      TRP  23 -12.131   0.438  -2.174
   82    HA   PRO  24           HA       PRO  24 -11.406  -2.388   8.758
   83    HB2  PRO  24           HB2      PRO  24 -10.071  -4.709   8.460
   84    HB3  PRO  24           HB1      PRO  24 -11.783  -4.660   8.894
   85    HG2  PRO  24           HG2      PRO  24 -10.521  -5.111   6.229
   86    HG3  PRO  24           HG1      PRO  24 -11.867  -5.981   6.983
   87    HD2  PRO  24           HD2      PRO  24 -12.235  -4.056   5.111
   88    HD3  PRO  24           HD1      PRO  24 -13.398  -4.347   6.418
   89    H    MET  25           HN       MET  25  -9.019  -2.571   9.328
   90    HA   MET  25           HA       MET  25  -7.607  -0.730   7.760
   91    HB2  MET  25           HB2      MET  25  -6.556  -2.577   9.900
   92    HB3  MET  25           HB1      MET  25  -5.773  -1.115   9.319
   93    HG2  MET  25           HG2      MET  25  -8.470  -1.158  10.646
   94    HG3  MET  25           HG1      MET  25  -6.960  -0.896  11.502
   95    HE1  MET  25           HE1      MET  25  -9.891   0.695   9.757
   96    HE2  MET  25           HE2      MET  25  -8.938   0.486   8.291
   97    HE3  MET  25           HE3      MET  25  -9.255   2.105   8.914
   98    HA   PRO  26           HA       PRO  26  -5.932  -3.418   4.666
   99    HB2  PRO  26           HB2      PRO  26  -3.957  -1.325   4.178
  100    HB3  PRO  26           HB1      PRO  26  -5.223  -1.935   3.117
  101    HG2  PRO  26           HG2      PRO  26  -5.324   0.525   4.237
  102    HG3  PRO  26           HG1      PRO  26  -6.775  -0.426   3.874
  103    HD2  PRO  26           HD2      PRO  26  -5.406   0.028   6.489
  104    HD3  PRO  26           HD1      PRO  26  -7.139  -0.095   6.121
  105    H    SER  27           HN       SER  27  -3.918  -4.351   4.025
  106    HA   SER  27           HA       SER  27  -2.166  -4.884   6.284
  107    HB2  SER  27           HB2      SER  27  -3.067  -6.683   4.771
  108    HB3  SER  27           HB1      SER  27  -2.060  -6.021   3.490
  109    HG   SER  27           HG       SER  27  -1.283  -7.296   5.891
  110    H    TYR  28           HN       TYR  28   0.045  -4.420   6.344
  111    HA   TYR  28           HA       TYR  28   1.165  -2.915   4.130
  112    HB2  TYR  28           HB2      TYR  28   0.974  -1.932   6.978
  113    HB3  TYR  28           HB1      TYR  28   2.180  -1.320   5.857
  114    HD1  TYR  28           HD2      TYR  28  -1.394  -1.379   6.699
  115    HD2  TYR  28           HD1      TYR  28   1.555   0.171   4.051
  116    HE1  TYR  28           HE2      TYR  28  -2.989   0.326   5.925
  117    HE2  TYR  28           HE1      TYR  28  -0.022   1.884   3.274
  118    HH   TYR  28           HH       TYR  28  -2.938   2.551   4.902
  119    H    ARG  29           HN       ARG  29   2.977  -4.136   3.650
  120    HA   ARG  29           HA       ARG  29   4.758  -4.908   5.799
  121    HB2  ARG  29           HB2      ARG  29   3.487  -6.916   3.948
  122    HB3  ARG  29           HB1      ARG  29   4.897  -7.254   4.932
  123    HG2  ARG  29           HG2      ARG  29   3.570  -6.817   6.952
  124    HG3  ARG  29           HG1      ARG  29   2.153  -6.534   5.941
  125    HD2  ARG  29           HD2      ARG  29   2.100  -8.786   6.814
  126    HD3  ARG  29           HD1      ARG  29   2.348  -8.827   5.069
  127    HE   ARG  29           HE       ARG  29   4.859  -8.880   6.275
  128   HH11  ARG  29          HH11      ARG  29   2.008 -10.901   6.074
  129   HH12  ARG  29          HH12      ARG  29   2.891 -12.379   6.297
  130   HH21  ARG  29          HH21      ARG  29   6.019 -10.820   6.564
  131   HH22  ARG  29          HH22      ARG  29   5.173 -12.334   6.569
  132    H    CYS  30           HN       CYS  30   6.765  -4.429   5.154
  133    HA   CYS  30           HA       CYS  30   7.397  -3.579   2.564
  134    HB2  CYS  30           HB2      CYS  30   9.235  -4.567   4.747
  135    HB3  CYS  30           HB1      CYS  30   9.763  -3.722   3.298
  136    HG   CYS  30           HG       CYS  30   9.906  -1.941   5.413
  137    H    VAL  31           HN       VAL  31   7.724  -4.663   0.767
  138    HA   VAL  31           HA       VAL  31   7.812  -7.549   0.826
  139    HB   VAL  31           HB       VAL  31   7.860  -5.668  -1.546
  140   HG11  VAL  31          HG11      VAL  31   8.744  -7.869  -2.092
  141   HG12  VAL  31          HG12      VAL  31   7.162  -7.634  -2.836
  142   HG13  VAL  31          HG13      VAL  31   7.317  -8.631  -1.389
  143   HG21  VAL  31          HG21      VAL  31   5.555  -7.151  -0.284
  144   HG22  VAL  31          HG22      VAL  31   5.477  -6.190  -1.762
  145   HG23  VAL  31          HG23      VAL  31   5.828  -5.411  -0.219
  146    H    LYS  32           HN       LYS  32   9.924  -4.855  -0.079
  147    HA   LYS  32           HA       LYS  32  12.202  -6.695   0.089
  148    HB2  LYS  32           HB2      LYS  32  11.670  -6.215  -2.302
  149    HB3  LYS  32           HB1      LYS  32  11.863  -4.505  -1.959
  150    HG2  LYS  32           HG2      LYS  32  14.215  -4.936  -1.328
  151    HG3  LYS  32           HG1      LYS  32  13.999  -6.615  -1.829
  152    HD2  LYS  32           HD2      LYS  32  13.455  -5.890  -4.085
  153    HD3  LYS  32           HD1      LYS  32  13.605  -4.203  -3.594
  154    HE2  LYS  32           HE2      LYS  32  15.979  -4.628  -3.025
  155    HE3  LYS  32           HE1      LYS  32  15.799  -6.270  -3.643
  156    HZ1  LYS  32           HZ1      LYS  32  16.765  -4.797  -5.298
  157    HZ2  LYS  32           HZ2      LYS  32  15.411  -3.785  -5.219
  158    HZ3  LYS  32           HZ3      LYS  32  15.254  -5.360  -5.810
  159    H    GLU  33           HN       GLU  33  13.563  -5.980   1.563
  160    HA   GLU  33           HA       GLU  33  14.037  -3.129   1.940
  161    HB2  GLU  33           HB2      GLU  33  12.138  -3.728   3.442
  162    HB3  GLU  33           HB1      GLU  33  13.169  -4.916   4.224
  163    HG2  GLU  33           HG2      GLU  33  14.710  -3.055   4.842
  164    HG3  GLU  33           HG1      GLU  33  13.502  -1.928   4.226
  165    H    GLY  34           HN       GLY  34  16.122  -2.712   2.497
  166    HA2  GLY  34           HA2      GLY  34  18.163  -3.031   3.564
  167    HA3  GLY  34           HA1      GLY  34  17.641  -4.642   4.027
  168    H    GLY  35           HN       GLY  35  17.398  -6.170   2.077
  169    HA2  GLY  35           HA2      GLY  35  18.442  -7.337   0.393
  170    HA3  GLY  35           HA1      GLY  35  18.926  -5.779  -0.248
  171    HA   PRO  36           HA       PRO  36  22.881  -7.986   0.803
  172    HB2  PRO  36           HB2      PRO  36  24.176  -6.437  -1.127
  173    HB3  PRO  36           HB1      PRO  36  23.600  -8.086  -1.355
  174    HG2  PRO  36           HG2      PRO  36  22.337  -5.508  -2.147
  175    HG3  PRO  36           HG1      PRO  36  22.330  -7.072  -2.981
  176    HD2  PRO  36           HD2      PRO  36  20.184  -6.192  -1.639
  177    HD3  PRO  36           HD1      PRO  36  20.620  -7.912  -1.661
  178    H    ALA  37           HN       ALA  37  22.704  -4.592  -0.255
  179    HA   ALA  37           HA       ALA  37  23.305  -3.429   2.235
  180    HB1  ALA  37           HB1      ALA  37  25.505  -4.479   1.904
  181    HB2  ALA  37           HB2      ALA  37  25.610  -2.719   1.873
  182    HB3  ALA  37           HB3      ALA  37  25.670  -3.631   0.365
  183    H    HIS  38           HN       HIS  38  24.002  -3.135  -1.214
  184    HA   HIS  38           HA       HIS  38  23.514  -0.304  -1.281
  185    HB2  HIS  38           HB2      HIS  38  23.819  -0.559  -3.732
  186    HB3  HIS  38           HB1      HIS  38  25.140  -1.262  -2.809
  187    HD1  HIS  38           HD1      HIS  38  25.622  -3.711  -3.152
  188    HD2  HIS  38           HD2      HIS  38  22.054  -2.514  -4.925
  189    HE1  HIS  38           HE1      HIS  38  24.817  -5.697  -4.465
  190    HE2  HIS  38           HE2      HIS  38  22.803  -4.859  -5.726
  191    H    ALA  39           HN       ALA  39  21.326  -2.286  -0.510
  192    HA   ALA  39           HA       ALA  39  19.335  -1.387  -2.477
  193    HB1  ALA  39           HB1      ALA  39  19.762  -3.775  -2.741
  194    HB2  ALA  39           HB2      ALA  39  18.127  -3.483  -2.148
  195    HB3  ALA  39           HB3      ALA  39  19.381  -4.036  -1.040
  196    H    LYS  40           HN       LYS  40  19.823   0.227  -0.403
  197    HA   LYS  40           HA       LYS  40  18.014  -0.433   1.771
  198    HB2  LYS  40           HB2      LYS  40  20.326   0.911   1.824
  199    HB3  LYS  40           HB1      LYS  40  19.229   2.257   1.572
  200    HG2  LYS  40           HG2      LYS  40  19.637   2.012   3.915
  201    HG3  LYS  40           HG1      LYS  40  17.963   1.573   3.568
  202    HD2  LYS  40           HD2      LYS  40  18.514  -0.775   3.673
  203    HD3  LYS  40           HD1      LYS  40  20.226  -0.401   3.867
  204    HE2  LYS  40           HE2      LYS  40  18.014   0.279   5.800
  205    HE3  LYS  40           HE1      LYS  40  19.222  -0.990   6.000
  206    HZ1  LYS  40           HZ1      LYS  40  19.818   0.964   7.258
  207    HZ2  LYS  40           HZ2      LYS  40  19.761   1.925   5.872
  208    HZ3  LYS  40           HZ3      LYS  40  20.942   0.725   6.018
  209    H    ARG  41           HN       ARG  41  17.431   0.404  -1.201
  210    HA   ARG  41           HA       ARG  41  15.323   2.321  -0.620
  211    HB2  ARG  41           HB2      ARG  41  15.699   0.701  -3.145
  212    HB3  ARG  41           HB1      ARG  41  14.658   2.094  -2.933
  213    HG2  ARG  41           HG2      ARG  41  16.616   3.517  -2.605
  214    HG3  ARG  41           HG1      ARG  41  17.666   2.118  -2.842
  215    HD2  ARG  41           HD2      ARG  41  16.837   1.836  -5.098
  216    HD3  ARG  41           HD1      ARG  41  15.688   3.153  -4.869
  217    HE   ARG  41           HE       ARG  41  18.299   4.090  -4.384
  218   HH11  ARG  41          HH11      ARG  41  16.279   3.015  -7.033
  219   HH12  ARG  41          HH12      ARG  41  17.071   4.014  -8.209
  220   HH21  ARG  41          HH21      ARG  41  19.338   5.405  -5.924
  221   HH22  ARG  41          HH22      ARG  41  18.805   5.380  -7.575
  222    H    PHE  42           HN       PHE  42  13.273   1.746  -0.190
  223    HA   PHE  42           HA       PHE  42  12.893  -1.134   0.236
  224    HB2  PHE  42           HB2      PHE  42  11.397   1.077   1.643
  225    HB3  PHE  42           HB1      PHE  42  11.504  -0.618   2.104
  226    HD1  PHE  42           HD1      PHE  42  14.425  -1.085   1.864
  227    HD2  PHE  42           HD2      PHE  42  12.263   2.212   3.458
  228    HE1  PHE  42           HE1      PHE  42  16.336  -0.541   3.320
  229    HE2  PHE  42           HE2      PHE  42  14.160   2.751   4.921
  230    HZ   PHE  42           HZ       PHE  42  16.197   1.374   4.858
  231    H    THR  43           HN       THR  43  11.231  -2.150  -0.610
  232    HA   THR  43           HA       THR  43   9.367  -0.585  -2.260
  233    HB   THR  43           HB       THR  43  10.449  -3.339  -2.915
  234    HG1  THR  43           HG1      THR  43  11.727  -2.218  -4.480
  235   HG21  THR  43          HG21      THR  43   8.909  -1.331  -4.562
  236   HG22  THR  43          HG22      THR  43   8.268  -2.829  -3.885
  237   HG23  THR  43          HG23      THR  43   9.512  -2.885  -5.135
  238    H    PHE  44           HN       PHE  44   7.266  -0.909  -1.566
  239    HA   PHE  44           HA       PHE  44   6.741  -3.350  -0.061
  240    HB2  PHE  44           HB2      PHE  44   6.806  -2.025   1.791
  241    HB3  PHE  44           HB1      PHE  44   6.732  -0.546   0.844
  242    HD1  PHE  44           HD2      PHE  44   4.673  -3.301   2.178
  243    HD2  PHE  44           HD1      PHE  44   4.785   0.701   0.771
  244    HE1  PHE  44           HE2      PHE  44   2.364  -2.968   2.937
  245    HE2  PHE  44           HE1      PHE  44   2.484   1.044   1.547
  246    HZ   PHE  44           HZ       PHE  44   1.221  -0.808   2.467
  247    H    GLY  45           HN       GLY  45   4.476  -3.938  -0.056
  248    HA2  GLY  45           HA2      GLY  45   2.887  -2.566  -2.125
  249    HA3  GLY  45           HA1      GLY  45   2.995  -4.319  -2.056
  250    H    VAL  46           HN       VAL  46   0.766  -2.243  -1.643
  251    HA   VAL  46           HA       VAL  46  -0.051  -3.047   1.079
  252    HB   VAL  46           HB       VAL  46  -1.759  -1.148  -0.382
  253   HG11  VAL  46          HG11      VAL  46  -1.657   0.010   1.833
  254   HG12  VAL  46          HG12      VAL  46  -0.625  -1.306   2.393
  255   HG13  VAL  46          HG13      VAL  46  -2.271  -1.642   1.865
  256   HG21  VAL  46          HG21      VAL  46   1.001  -0.306   0.458
  257   HG22  VAL  46          HG22      VAL  46  -0.315   0.795   0.057
  258   HG23  VAL  46          HG23      VAL  46   0.335  -0.288  -1.173
  259    H    ARG  47           HN       ARG  47  -2.236  -3.829   1.384
  260    HA   ARG  47           HA       ARG  47  -3.802  -4.266  -0.997
  261    HB2  ARG  47           HB2      ARG  47  -4.301  -6.617  -0.271
  262    HB3  ARG  47           HB1      ARG  47  -2.657  -6.385  -0.844
  263    HG2  ARG  47           HG2      ARG  47  -1.908  -6.265   1.515
  264    HG3  ARG  47           HG1      ARG  47  -3.561  -6.614   2.017
  265    HD2  ARG  47           HD2      ARG  47  -2.271  -8.651   2.042
  266    HD3  ARG  47           HD1      ARG  47  -3.465  -8.729   0.749
  267    HE   ARG  47           HE       ARG  47  -0.659  -8.002   0.218
  268   HH11  ARG  47          HH11      ARG  47  -3.469 -10.004  -0.426
  269   HH12  ARG  47          HH12      ARG  47  -2.738 -10.803  -1.777
  270   HH21  ARG  47          HH21      ARG  47   0.299  -9.061  -1.536
  271   HH22  ARG  47          HH22      ARG  47  -0.597 -10.270  -2.412
  272    H    VAL  48           HN       VAL  48  -5.960  -4.157  -0.559
  273    HA   VAL  48           HA       VAL  48  -6.661  -3.515   2.245
  274    HB   VAL  48           HB       VAL  48  -7.998  -2.484  -0.251
  275   HG11  VAL  48          HG11      VAL  48  -9.024  -0.856   1.313
  276   HG12  VAL  48          HG12      VAL  48  -8.315  -1.763   2.651
  277   HG13  VAL  48          HG13      VAL  48  -9.512  -2.525   1.602
  278   HG21  VAL  48          HG21      VAL  48  -6.057  -1.068   1.564
  279   HG22  VAL  48          HG22      VAL  48  -6.930  -0.340   0.217
  280   HG23  VAL  48          HG23      VAL  48  -5.734  -1.599  -0.086
  281    H    ASN  49           HN       ASN  49  -8.773  -4.185   2.973
  282    HA   ASN  49           HA       ASN  49  -9.673  -6.591   1.586
  283    HB2  ASN  49           HB2      ASN  49  -9.136  -6.747   4.010
  284    HB3  ASN  49           HB1      ASN  49 -10.437  -5.608   4.339
  285   HD21  ASN  49          HD21      ASN  49 -11.419  -7.208   5.639
  286   HD22  ASN  49          HD22      ASN  49 -12.317  -8.502   4.931
  287    H    THR  50           HN       THR  50 -10.628  -5.551  -0.016
  288    HA   THR  50           HA       THR  50 -12.783  -3.671   0.316
  289    HB   THR  50           HB       THR  50 -13.342  -4.052  -2.060
  290    HG1  THR  50           HG1      THR  50 -11.156  -5.894  -2.070
  291   HG21  THR  50          HG21      THR  50 -10.413  -3.648  -1.475
  292   HG22  THR  50          HG22      THR  50 -11.663  -2.405  -1.516
  293   HG23  THR  50          HG23      THR  50 -11.203  -3.245  -2.999
  294    H    SER  51           HN       SER  51 -14.634  -4.142   1.200
  295    HA   SER  51           HA       SER  51 -15.673  -6.635   1.749
  296    HB2  SER  51           HB2      SER  51 -16.491  -4.544   2.758
  297    HB3  SER  51           HB1      SER  51 -17.198  -4.073   1.217
  298    HG   SER  51           HG       SER  51 -18.806  -5.422   1.515
  299    H    ASP  52           HN       ASP  52 -15.836  -4.759  -1.176
  300    HA   ASP  52           HA       ASP  52 -17.776  -6.144  -2.589
  301    HB2  ASP  52           HB2      ASP  52 -15.322  -4.888  -3.713
  302    HB3  ASP  52           HB1      ASP  52 -16.844  -5.145  -4.539
  303    H    ARG  53           HN       ARG  53 -14.216  -6.679  -2.653
  304    HA   ARG  53           HA       ARG  53 -14.788  -9.237  -4.005
  305    HB2  ARG  53           HB2      ARG  53 -12.527  -7.318  -4.588
  306    HB3  ARG  53           HB1      ARG  53 -12.704  -8.912  -5.303
  307    HG2  ARG  53           HG2      ARG  53 -14.777  -8.231  -6.368
  308    HG3  ARG  53           HG1      ARG  53 -14.650  -6.642  -5.614
  309    HD2  ARG  53           HD2      ARG  53 -12.555  -6.241  -6.805
  310    HD3  ARG  53           HD1      ARG  53 -12.673  -7.832  -7.553
  311    HE   ARG  53           HE       ARG  53 -14.990  -6.241  -8.056
  312   HH11  ARG  53          HH11      ARG  53 -11.678  -6.756  -9.054
  313   HH12  ARG  53          HH12      ARG  53 -11.933  -6.170 -10.666
  314   HH21  ARG  53          HH21      ARG  53 -15.333  -5.459 -10.183
  315   HH22  ARG  53          HH22      ARG  53 -14.017  -5.449 -11.313
  316    H    GLY  54           HN       GLY  54 -12.769  -7.501  -1.743
  317    HA2  GLY  54           HA2      GLY  54 -11.979  -8.872   0.163
  318    HA3  GLY  54           HA1      GLY  54 -11.453 -10.037  -1.036
  319    H    TRP  55           HN       TRP  55  -9.343  -9.966  -0.242
  320    HA   TRP  55           HA       TRP  55  -7.721  -7.740  -0.011
  321    HB2  TRP  55           HB2      TRP  55  -7.208 -10.600  -0.669
  322    HB3  TRP  55           HB1      TRP  55  -5.899  -9.450  -0.901
  323    HD1  TRP  55           HD1      TRP  55  -6.603 -11.857   1.482
  324    HE1  TRP  55           HE1      TRP  55  -5.933 -11.194   3.877
  325    HE3  TRP  55           HE3      TRP  55  -6.269  -6.803   0.866
  326    HZ2  TRP  55           HZ2      TRP  55  -5.336  -8.830   5.298
  327    HZ3  TRP  55           HZ3      TRP  55  -5.645  -5.417   2.792
  328    HH2  TRP  55           HH2      TRP  55  -5.201  -6.402   4.968
  329    H    THR  56           HN       THR  56  -7.257  -6.210  -1.376
  330    HA   THR  56           HA       THR  56  -7.797  -6.310  -4.150
  331    HB   THR  56           HB       THR  56  -6.586  -4.139  -4.247
  332    HG1  THR  56           HG1      THR  56  -5.072  -4.028  -2.745
  333   HG21  THR  56          HG21      THR  56  -8.957  -4.191  -3.671
  334   HG22  THR  56          HG22      THR  56  -8.127  -2.902  -2.800
  335   HG23  THR  56          HG23      THR  56  -8.547  -4.399  -1.969
  336    H    ASP  57           HN       ASP  57  -6.125  -5.741  -5.826
  337    HA   ASP  57           HA       ASP  57  -3.953  -7.552  -5.851
  338    HB2  ASP  57           HB2      ASP  57  -4.305  -5.036  -7.500
  339    HB3  ASP  57           HB1      ASP  57  -3.219  -6.370  -7.863
  340    H    GLU  58           HN       GLU  58  -1.988  -7.351  -5.004
  341    HA   GLU  58           HA       GLU  58  -1.484  -5.396  -3.088
  342    HB2  GLU  58           HB2      GLU  58  -0.459  -7.667  -3.164
  343    HB3  GLU  58           HB1      GLU  58   0.569  -7.097  -4.465
  344    HG2  GLU  58           HG2      GLU  58   1.731  -5.632  -3.073
  345    HG3  GLU  58           HG1      GLU  58   0.510  -5.736  -1.805
  346    H    CYS  59           HN       CYS  59  -1.047  -3.394  -3.353
  347    HA   CYS  59           HA       CYS  59  -0.101  -2.398  -5.909
  348    HB2  CYS  59           HB2      CYS  59  -0.916  -0.877  -3.422
  349    HB3  CYS  59           HB1      CYS  59  -0.649  -0.190  -5.022
  350    HG   CYS  59           HG       CYS  59  -2.921  -2.644  -4.990
  351    H    ILE  60           HN       ILE  60   2.009  -2.870  -6.053
  352    HA   ILE  60           HA       ILE  60   3.872  -2.417  -3.925
  353    HB   ILE  60           HB       ILE  60   4.345  -2.945  -6.866
  354   HG12  ILE  60          HG12      ILE  60   3.055  -4.722  -5.636
  355   HG13  ILE  60          HG11      ILE  60   4.577  -5.257  -6.337
  356   HG21  ILE  60          HG21      ILE  60   6.579  -3.634  -6.195
  357   HG22  ILE  60          HG22      ILE  60   6.213  -3.190  -4.529
  358   HG23  ILE  60          HG23      ILE  60   6.269  -1.949  -5.780
  359   HD11  ILE  60          HD11      ILE  60   4.146  -6.129  -4.068
  360   HD12  ILE  60          HD12      ILE  60   4.229  -4.472  -3.468
  361   HD13  ILE  60          HD13      ILE  60   5.643  -5.208  -4.211
  362    H    GLY  61           HN       GLY  61   4.675  -0.496  -3.413
  363    HA2  GLY  61           HA2      GLY  61   4.238   1.788  -5.124
  364    HA3  GLY  61           HA1      GLY  61   4.971   1.802  -3.526
  365    H    GLU  62           HN       GLU  62   6.415   3.353  -4.608
  366    HA   GLU  62           HA       GLU  62   8.373   2.168  -6.415
  367    HB2  GLU  62           HB2      GLU  62   8.113   5.002  -5.380
  368    HB3  GLU  62           HB1      GLU  62   9.208   4.461  -6.647
  369    HG2  GLU  62           HG2      GLU  62   7.316   3.876  -8.055
  370    HG3  GLU  62           HG1      GLU  62   6.202   4.365  -6.783
  371    HA   PRO  63           HA       PRO  63  11.273   1.204  -3.191
  372    HB2  PRO  63           HB2      PRO  63  13.312   2.211  -5.108
  373    HB3  PRO  63           HB1      PRO  63  13.219   0.654  -4.279
  374    HG2  PRO  63           HG2      PRO  63  12.632   0.863  -6.872
  375    HG3  PRO  63           HG1      PRO  63  11.720  -0.224  -5.808
  376    HD2  PRO  63           HD2      PRO  63  10.946   2.437  -6.916
  377    HD3  PRO  63           HD1      PRO  63   9.947   1.001  -6.616
  378    H    MET  64           HN       MET  64  11.436   2.516  -1.482
  379    HA   MET  64           HA       MET  64  12.296   5.305  -1.915
  380    HB2  MET  64           HB2      MET  64  10.379   4.270   0.175
  381    HB3  MET  64           HB1      MET  64  10.885   5.941  -0.023
  382    HG2  MET  64           HG2      MET  64   9.320   4.323  -2.016
  383    HG3  MET  64           HG1      MET  64   8.679   5.556  -0.942
  384    HE1  MET  64           HE1      MET  64  10.639   7.910  -0.972
  385    HE2  MET  64           HE2      MET  64   8.905   8.077  -1.251
  386    HE3  MET  64           HE3      MET  64  10.054   8.852  -2.344
  387    HA   PRO  65           HA       PRO  65  15.613   4.177   0.756
  388    HB2  PRO  65           HB2      PRO  65  16.589   6.607   1.375
  389    HB3  PRO  65           HB1      PRO  65  16.714   5.929  -0.251
  390    HG2  PRO  65           HG2      PRO  65  14.749   7.917   0.824
  391    HG3  PRO  65           HG1      PRO  65  15.631   7.938  -0.714
  392    HD2  PRO  65           HD2      PRO  65  13.045   7.114  -0.493
  393    HD3  PRO  65           HD1      PRO  65  14.162   6.480  -1.719
  394    H    SER  66           HN       SER  66  12.778   5.124   1.996
  395    HA   SER  66           HA       SER  66  13.674   4.803   4.722
  396    HB2  SER  66           HB2      SER  66  12.139   7.273   3.866
  397    HB3  SER  66           HB1      SER  66  12.508   6.828   5.527
  398    HG   SER  66           HG       SER  66  14.618   7.265   5.197
  399    H    VAL  67           HN       VAL  67  12.088   3.898   6.002
  400    HA   VAL  67           HA       VAL  67  10.253   2.318   4.539
  401    HB   VAL  67           HB       VAL  67   9.526   1.428   6.734
  402   HG11  VAL  67          HG11      VAL  67  12.507   1.632   6.348
  403   HG12  VAL  67          HG12      VAL  67  11.433   0.454   5.594
  404   HG13  VAL  67          HG13      VAL  67  11.680   0.431   7.341
  405   HG21  VAL  67          HG21      VAL  67  10.705   2.152   8.764
  406   HG22  VAL  67          HG22      VAL  67   9.714   3.439   8.079
  407   HG23  VAL  67          HG23      VAL  67  11.460   3.455   7.848
  408    H    LYS  68           HN       LYS  68   9.807   5.266   6.402
  409    HA   LYS  68           HA       LYS  68   6.995   4.976   6.715
  410    HB2  LYS  68           HB2      LYS  68   8.801   7.385   6.878
  411    HB3  LYS  68           HB1      LYS  68   7.071   7.459   7.188
  412    HG2  LYS  68           HG2      LYS  68   7.355   5.812   8.996
  413    HG3  LYS  68           HG1      LYS  68   9.097   5.839   8.714
  414    HD2  LYS  68           HD2      LYS  68   9.193   8.183   9.283
  415    HD3  LYS  68           HD1      LYS  68   7.435   8.250   9.437
  416    HE2  LYS  68           HE2      LYS  68   9.321   6.635  11.148
  417    HE3  LYS  68           HE1      LYS  68   8.494   8.117  11.625
  418    HZ1  LYS  68           HZ1      LYS  68   7.326   6.223  12.486
  419    HZ2  LYS  68           HZ2      LYS  68   7.216   5.524  10.954
  420    HZ3  LYS  68           HZ3      LYS  68   6.371   6.949  11.294
  421    H    LYS  69           HN       LYS  69   9.018   6.589   4.309
  422    HA   LYS  69           HA       LYS  69   6.720   7.660   2.939
  423    HB2  LYS  69           HB2      LYS  69   8.433   8.404   1.237
  424    HB3  LYS  69           HB1      LYS  69   8.606   9.073   2.853
  425    HG2  LYS  69           HG2      LYS  69  10.376   7.519   3.339
  426    HG3  LYS  69           HG1      LYS  69  10.172   6.753   1.766
  427    HD2  LYS  69           HD2      LYS  69  12.066   8.267   1.706
  428    HD3  LYS  69           HD1      LYS  69  10.775   8.880   0.677
  429    HE2  LYS  69           HE2      LYS  69  10.099  10.430   2.439
  430    HE3  LYS  69           HE1      LYS  69  11.381   9.811   3.479
  431    HZ1  LYS  69           HZ1      LYS  69  12.010  11.878   2.372
  432    HZ2  LYS  69           HZ2      LYS  69  11.800  11.148   0.861
  433    HZ3  LYS  69           HZ3      LYS  69  13.013  10.601   1.904
  434    H    ALA  70           HN       ALA  70   8.657   4.809   2.834
  435    HA   ALA  70           HA       ALA  70   8.075   3.863   0.286
  436    HB1  ALA  70           HB1      ALA  70   9.625   2.751   1.839
  437    HB2  ALA  70           HB2      ALA  70   8.423   1.632   1.193
  438    HB3  ALA  70           HB3      ALA  70   8.256   2.254   2.834
  439    H    LYS  71           HN       LYS  71   6.295   3.119   3.293
  440    HA   LYS  71           HA       LYS  71   4.051   1.984   2.146
  441    HB2  LYS  71           HB2      LYS  71   4.228   3.630   4.675
  442    HB3  LYS  71           HB1      LYS  71   2.884   2.583   4.246
  443    HG2  LYS  71           HG2      LYS  71   4.413   0.652   4.265
  444    HG3  LYS  71           HG1      LYS  71   5.722   1.720   4.766
  445    HD2  LYS  71           HD2      LYS  71   3.173   1.219   6.303
  446    HD3  LYS  71           HD1      LYS  71   4.748   0.514   6.668
  447    HE2  LYS  71           HE2      LYS  71   5.650   2.775   7.028
  448    HE3  LYS  71           HE1      LYS  71   4.053   3.447   6.712
  449    HZ1  LYS  71           HZ1      LYS  71   4.804   1.657   8.955
  450    HZ2  LYS  71           HZ2      LYS  71   3.225   2.160   8.623
  451    HZ3  LYS  71           HZ3      LYS  71   4.399   3.297   9.059
  452    H    ASP  72           HN       ASP  72   4.628   5.379   3.002
  453    HA   ASP  72           HA       ASP  72   2.300   6.559   2.201
  454    HB2  ASP  72           HB2      ASP  72   4.093   7.846   3.192
  455    HB3  ASP  72           HB1      ASP  72   5.120   7.563   1.790
  456    H    SER  73           HN       SER  73   5.073   5.811   0.069
  457    HA   SER  73           HA       SER  73   4.025   6.867  -2.275
  458    HB2  SER  73           HB2      SER  73   6.384   6.231  -1.965
  459    HB3  SER  73           HB1      SER  73   5.920   4.531  -1.912
  460    HG   SER  73           HG       SER  73   6.502   5.997  -4.030
  461    H    ALA  74           HN       ALA  74   3.772   3.558  -0.977
  462    HA   ALA  74           HA       ALA  74   2.436   2.519  -3.274
  463    HB1  ALA  74           HB1      ALA  74   3.713   1.166  -1.616
  464    HB2  ALA  74           HB2      ALA  74   2.103   0.542  -1.975
  465    HB3  ALA  74           HB3      ALA  74   2.392   1.418  -0.469
  466    H    ALA  75           HN       ALA  75   1.392   3.853  -0.223
  467    HA   ALA  75           HA       ALA  75  -1.365   3.296  -0.361
  468    HB1  ALA  75           HB1      ALA  75  -0.043   5.692   0.918
  469    HB2  ALA  75           HB2      ALA  75  -0.232   4.105   1.666
  470    HB3  ALA  75           HB3      ALA  75  -1.654   5.068   1.267
  471    H    VAL  76           HN       VAL  76   0.521   5.828  -1.957
  472    HA   VAL  76           HA       VAL  76  -1.667   7.434  -2.754
  473    HB   VAL  76           HB       VAL  76   0.983   7.065  -4.172
  474   HG11  VAL  76          HG11      VAL  76  -1.054   9.283  -4.323
  475   HG12  VAL  76          HG12      VAL  76  -0.664   8.125  -5.596
  476   HG13  VAL  76          HG13      VAL  76   0.537   9.308  -5.081
  477   HG21  VAL  76          HG21      VAL  76   1.309   7.740  -1.854
  478   HG22  VAL  76          HG22      VAL  76   0.175   9.074  -2.071
  479   HG23  VAL  76          HG23      VAL  76   1.703   9.064  -2.950
  480    H    LEU  77           HN       LEU  77  -0.197   4.532  -4.031
  481    HA   LEU  77           HA       LEU  77  -1.662   4.514  -6.490
  482    HB2  LEU  77           HB2      LEU  77  -0.304   2.248  -5.027
  483    HB3  LEU  77           HB1      LEU  77  -0.828   2.229  -6.696
  484    HG   LEU  77           HG       LEU  77   1.330   4.017  -5.578
  485   HD11  LEU  77          HD11      LEU  77   2.009   1.677  -5.621
  486   HD12  LEU  77          HD12      LEU  77   2.863   2.609  -6.853
  487   HD13  LEU  77          HD13      LEU  77   1.522   1.559  -7.312
  488   HD21  LEU  77          HD21      LEU  77   0.170   5.039  -7.450
  489   HD22  LEU  77          HD22      LEU  77   0.382   3.571  -8.404
  490   HD23  LEU  77          HD23      LEU  77   1.787   4.527  -7.932
  491    H    LEU  78           HN       LEU  78  -2.091   3.332  -3.249
  492    HA   LEU  78           HA       LEU  78  -4.317   1.670  -3.594
  493    HB2  LEU  78           HB2      LEU  78  -3.047   3.171  -1.401
  494    HB3  LEU  78           HB1      LEU  78  -4.716   2.782  -1.148
  495    HG   LEU  78           HG       LEU  78  -2.383   0.931  -1.402
  496   HD11  LEU  78          HD11      LEU  78  -4.615   1.266   0.590
  497   HD12  LEU  78          HD12      LEU  78  -2.930   1.744   0.797
  498   HD13  LEU  78          HD13      LEU  78  -3.354   0.037   0.675
  499   HD21  LEU  78          HD21      LEU  78  -5.295   0.220  -1.755
  500   HD22  LEU  78          HD22      LEU  78  -4.029  -0.951  -1.378
  501   HD23  LEU  78          HD23      LEU  78  -3.978  -0.056  -2.897
  502    H    LEU  79           HN       LEU  79  -4.008   5.132  -3.029
  503    HA   LEU  79           HA       LEU  79  -6.686   5.786  -2.739
  504    HB2  LEU  79           HB2      LEU  79  -4.613   7.495  -4.095
  505    HB3  LEU  79           HB1      LEU  79  -6.023   8.027  -3.208
  506    HG   LEU  79           HG       LEU  79  -3.512   6.808  -2.098
  507   HD11  LEU  79          HD11      LEU  79  -3.359   8.893  -0.861
  508   HD12  LEU  79          HD12      LEU  79  -4.843   9.464  -1.622
  509   HD13  LEU  79          HD13      LEU  79  -3.402   9.182  -2.600
  510   HD21  LEU  79          HD21      LEU  79  -5.295   5.795  -0.887
  511   HD22  LEU  79          HD22      LEU  79  -6.121   7.346  -0.699
  512   HD23  LEU  79          HD23      LEU  79  -4.589   7.056   0.125
  513    H    GLU  80           HN       GLU  80  -4.769   5.269  -5.655
  514    HA   GLU  80           HA       GLU  80  -6.702   6.268  -7.482
  515    HB2  GLU  80           HB2      GLU  80  -4.504   4.236  -7.931
  516    HB3  GLU  80           HB1      GLU  80  -5.332   5.177  -9.176
  517    HG2  GLU  80           HG2      GLU  80  -3.749   6.440  -6.962
  518    HG3  GLU  80           HG1      GLU  80  -3.035   5.964  -8.495
  519    H    LEU  81           HN       LEU  81  -5.914   3.076  -6.216
  520    HA   LEU  81           HA       LEU  81  -7.690   1.559  -7.797
  521    HB2  LEU  81           HB2      LEU  81  -5.707   0.839  -6.284
  522    HB3  LEU  81           HB1      LEU  81  -6.885   0.869  -4.996
  523    HG   LEU  81           HG       LEU  81  -7.189  -0.828  -7.463
  524   HD11  LEU  81          HD11      LEU  81  -6.077  -1.583  -4.762
  525   HD12  LEU  81          HD12      LEU  81  -5.162  -1.466  -6.265
  526   HD13  LEU  81          HD13      LEU  81  -6.412  -2.697  -6.089
  527   HD21  LEU  81          HD21      LEU  81  -8.529  -0.945  -4.759
  528   HD22  LEU  81          HD22      LEU  81  -8.791  -2.074  -6.089
  529   HD23  LEU  81          HD23      LEU  81  -9.271  -0.385  -6.257
  530    H    LEU  82           HN       LEU  82  -7.907   2.914  -4.554
  531    HA   LEU  82           HA       LEU  82 -10.512   2.143  -3.934
  532    HB2  LEU  82           HB2      LEU  82  -8.597   4.194  -2.970
  533    HB3  LEU  82           HB1      LEU  82 -10.268   4.366  -2.483
  534    HG   LEU  82           HG       LEU  82 -10.223   2.498  -1.151
  535   HD11  LEU  82          HD11      LEU  82  -7.936   1.478  -2.816
  536   HD12  LEU  82          HD12      LEU  82  -9.572   0.818  -2.702
  537   HD13  LEU  82          HD13      LEU  82  -8.477   0.712  -1.322
  538   HD21  LEU  82          HD21      LEU  82  -8.686   4.194  -0.290
  539   HD22  LEU  82          HD22      LEU  82  -7.351   3.393  -1.118
  540   HD23  LEU  82          HD23      LEU  82  -8.204   2.566   0.186
  541    H    ASN  83           HN       ASN  83  -9.316   4.916  -5.770
  542    HA   ASN  83           HA       ASN  83 -11.870   6.217  -5.847
  543    HB2  ASN  83           HB2      ASN  83  -9.659   7.399  -6.049
  544    HB3  ASN  83           HB1      ASN  83  -9.462   6.651  -7.627
  545   HD21  ASN  83          HD21      ASN  83 -11.258   8.986  -5.770
  546   HD22  ASN  83          HD22      ASN  83 -11.946   9.820  -7.118
  547    H    LYS  84           HN       LYS  84 -10.703   3.477  -7.272
  548    HA   LYS  84           HA       LYS  84 -12.398   3.800  -9.651
  549    HB2  LYS  84           HB2      LYS  84  -9.976   2.032  -9.276
  550    HB3  LYS  84           HB1      LYS  84 -11.002   2.038 -10.706
  551    HG2  LYS  84           HG2      LYS  84 -10.341   4.213 -11.297
  552    HG3  LYS  84           HG1      LYS  84  -9.610   4.498  -9.720
  553    HD2  LYS  84           HD2      LYS  84  -7.836   4.102 -11.270
  554    HD3  LYS  84           HD1      LYS  84  -7.976   2.664 -10.255
  555    HE2  LYS  84           HE2      LYS  84  -7.684   2.018 -12.572
  556    HE3  LYS  84           HE1      LYS  84  -9.299   1.573 -12.025
  557    HZ1  LYS  84           HZ1      LYS  84 -10.172   3.548 -13.119
  558    HZ2  LYS  84           HZ2      LYS  84  -9.353   2.567 -14.226
  559    HZ3  LYS  84           HZ3      LYS  84  -8.620   3.974 -13.640
  560    H    THR  85           HN       THR  85 -13.457   3.138  -7.200
  561    HA   THR  85           HA       THR  85 -13.882   0.257  -7.235
  562    HB   THR  85           HB       THR  85 -15.312   0.846  -5.153
  563    HG1  THR  85           HG1      THR  85 -13.639   3.105  -4.956
  564   HG21  THR  85          HG21      THR  85 -13.311   0.858  -3.732
  565   HG22  THR  85          HG22      THR  85 -12.317   1.233  -5.138
  566   HG23  THR  85          HG23      THR  85 -13.167  -0.310  -5.044
  Start of MODEL   17
    1    H1   ASN  15           HT1      ASN  15  -4.686   5.126   5.612
    2    H2   ASN  15           HT2      ASN  15  -5.592   6.307   6.409
    3    H3   ASN  15           HT3      ASN  15  -6.010   5.839   4.840
    4    HA   ASN  15           HA       ASN  15  -6.559   3.642   5.586
    5    HB2  ASN  15           HB2      ASN  15  -5.787   4.725   8.295
    6    HB3  ASN  15           HB1      ASN  15  -6.709   3.242   8.066
    7   HD21  ASN  15          HD21      ASN  15  -4.144   3.485   9.303
    8   HD22  ASN  15          HD22      ASN  15  -3.038   2.553   8.355
    9    H    ASP  16           HN       ASP  16  -7.373   6.874   6.348
   10    HA   ASP  16           HA       ASP  16  -9.818   6.450   7.710
   11    HB2  ASP  16           HB2      ASP  16  -8.765   8.782   6.114
   12    HB3  ASP  16           HB1      ASP  16 -10.350   8.807   6.876
   13    H    ILE  17           HN       ILE  17  -8.997   6.767   4.294
   14    HA   ILE  17           HA       ILE  17 -11.624   6.838   3.313
   15    HB   ILE  17           HB       ILE  17  -9.061   5.948   1.993
   16   HG12  ILE  17          HG12      ILE  17  -9.481   8.100   0.710
   17   HG13  ILE  17          HG11      ILE  17 -10.743   8.446   1.880
   18   HG21  ILE  17          HG21      ILE  17 -10.244   6.009  -0.140
   19   HG22  ILE  17          HG22      ILE  17 -11.759   6.330   0.703
   20   HG23  ILE  17          HG23      ILE  17 -10.935   4.789   0.931
   21   HD11  ILE  17          HD11      ILE  17  -9.125   8.459   3.665
   22   HD12  ILE  17          HD12      ILE  17  -8.671   9.607   2.402
   23   HD13  ILE  17          HD13      ILE  17  -7.839   8.056   2.527
   24    H    CYS  18           HN       CYS  18  -9.476   4.175   4.115
   25    HA   CYS  18           HA       CYS  18 -11.115   2.122   2.982
   26    HB2  CYS  18           HB2      CYS  18  -8.693   1.826   3.321
   27    HB3  CYS  18           HB1      CYS  18  -8.909   1.984   5.059
   28    HG   CYS  18           HG       CYS  18  -9.807  -0.448   5.548
   29    H    LEU  19           HN       LEU  19 -10.617   3.532   6.134
   30    HA   LEU  19           HA       LEU  19 -12.259   1.837   7.664
   31    HB2  LEU  19           HB2      LEU  19 -10.521   3.676   8.254
   32    HB3  LEU  19           HB1      LEU  19 -11.900   4.740   8.252
   33    HG   LEU  19           HG       LEU  19 -11.541   2.317  10.025
   34   HD11  LEU  19          HD11      LEU  19 -10.039   4.094  10.650
   35   HD12  LEU  19          HD12      LEU  19 -11.345   3.975  11.830
   36   HD13  LEU  19          HD13      LEU  19 -11.361   5.262  10.625
   37   HD21  LEU  19          HD21      LEU  19 -13.888   2.737   9.493
   38   HD22  LEU  19          HD22      LEU  19 -13.713   4.407  10.033
   39   HD23  LEU  19          HD23      LEU  19 -13.534   3.084  11.185
   40    H    ARG  20           HN       ARG  20 -12.864   4.844   5.912
   41    HA   ARG  20           HA       ARG  20 -15.515   5.293   6.723
   42    HB2  ARG  20           HB2      ARG  20 -14.040   6.943   5.583
   43    HB3  ARG  20           HB1      ARG  20 -14.237   6.031   4.092
   44    HG2  ARG  20           HG2      ARG  20 -15.769   7.783   3.927
   45    HG3  ARG  20           HG1      ARG  20 -16.727   6.379   4.400
   46    HD2  ARG  20           HD2      ARG  20 -16.717   7.115   6.709
   47    HD3  ARG  20           HD1      ARG  20 -15.707   8.495   6.281
   48    HE   ARG  20           HE       ARG  20 -18.114   8.440   4.757
   49   HH11  ARG  20          HH11      ARG  20 -16.833   9.237   7.914
   50   HH12  ARG  20          HH12      ARG  20 -18.041  10.439   8.243
   51   HH21  ARG  20          HH21      ARG  20 -19.696  10.027   5.169
   52   HH22  ARG  20          HH22      ARG  20 -19.667  10.899   6.672
   53    H    LYS  21           HN       LYS  21 -14.136   3.294   4.208
   54    HA   LYS  21           HA       LYS  21 -16.588   2.747   2.857
   55    HB2  LYS  21           HB2      LYS  21 -13.861   1.488   2.820
   56    HB3  LYS  21           HB1      LYS  21 -15.188   0.897   1.824
   57    HG2  LYS  21           HG2      LYS  21 -14.003   3.663   1.755
   58    HG3  LYS  21           HG1      LYS  21 -13.752   2.386   0.563
   59    HD2  LYS  21           HD2      LYS  21 -16.465   3.468   1.246
   60    HD3  LYS  21           HD1      LYS  21 -15.469   4.139  -0.019
   61    HE2  LYS  21           HE2      LYS  21 -15.397   1.915  -1.088
   62    HE3  LYS  21           HE1      LYS  21 -16.498   1.323   0.153
   63    HZ1  LYS  21           HZ1      LYS  21 -17.098   3.520  -1.746
   64    HZ2  LYS  21           HZ2      LYS  21 -18.158   2.878  -0.599
   65    HZ3  LYS  21           HZ3      LYS  21 -17.644   1.929  -1.902
   66    H    ASN  22           HN       ASN  22 -15.673   1.960   5.840
   67    HA   ASN  22           HA       ASN  22 -16.373   0.505   7.421
   68    HB2  ASN  22           HB2      ASN  22 -18.591   0.773   6.268
   69    HB3  ASN  22           HB1      ASN  22 -18.208  -0.652   5.314
   70   HD21  ASN  22          HD21      ASN  22 -19.969  -1.781   6.112
   71   HD22  ASN  22          HD22      ASN  22 -20.014  -2.408   7.723
   72    H    TRP  23           HN       TRP  23 -14.234  -0.005   5.485
   73    HA   TRP  23           HA       TRP  23 -14.049  -2.916   5.473
   74    HB2  TRP  23           HB2      TRP  23 -12.122  -0.786   4.510
   75    HB3  TRP  23           HB1      TRP  23 -11.866  -2.515   4.348
   76    HD1  TRP  23           HD1      TRP  23 -15.063  -2.952   3.370
   77    HE1  TRP  23           HE1      TRP  23 -15.544  -2.417   0.883
   78    HE3  TRP  23           HE3      TRP  23 -11.024  -0.002   2.379
   79    HZ2  TRP  23           HZ2      TRP  23 -14.325  -0.961  -1.221
   80    HZ3  TRP  23           HZ3      TRP  23 -10.749   0.918   0.124
   81    HH2  TRP  23           HH2      TRP  23 -12.368   0.452  -1.640
   82    HA   PRO  24           HA       PRO  24 -11.445  -2.935   9.128
   83    HB2  PRO  24           HB2      PRO  24  -9.735  -4.952   8.599
   84    HB3  PRO  24           HB1      PRO  24 -11.431  -5.234   9.010
   85    HG2  PRO  24           HG2      PRO  24 -10.111  -5.208   6.330
   86    HG3  PRO  24           HG1      PRO  24 -11.329  -6.327   6.966
   87    HD2  PRO  24           HD2      PRO  24 -11.930  -4.270   5.291
   88    HD3  PRO  24           HD1      PRO  24 -13.065  -4.891   6.501
   89    H    MET  25           HN       MET  25  -8.811  -3.315   9.491
   90    HA   MET  25           HA       MET  25  -7.626  -1.050   8.194
   91    HB2  MET  25           HB2      MET  25  -6.400  -3.095  10.047
   92    HB3  MET  25           HB1      MET  25  -5.682  -1.555   9.595
   93    HG2  MET  25           HG2      MET  25  -8.352  -1.662  10.929
   94    HG3  MET  25           HG1      MET  25  -6.872  -1.785  11.867
   95    HE1  MET  25           HE1      MET  25  -8.099   0.667   8.781
   96    HE2  MET  25           HE2      MET  25  -8.628   1.942   9.875
   97    HE3  MET  25           HE3      MET  25  -9.341   0.333   9.985
   98    HA   PRO  26           HA       PRO  26  -6.026  -3.296   4.724
   99    HB2  PRO  26           HB2      PRO  26  -4.026  -1.175   4.491
  100    HB3  PRO  26           HB1      PRO  26  -5.301  -1.635   3.366
  101    HG2  PRO  26           HG2      PRO  26  -5.391   0.658   4.787
  102    HG3  PRO  26           HG1      PRO  26  -6.850  -0.242   4.337
  103    HD2  PRO  26           HD2      PRO  26  -5.432  -0.113   6.963
  104    HD3  PRO  26           HD1      PRO  26  -7.172  -0.190   6.614
  105    H    SER  27           HN       SER  27  -4.045  -4.223   3.965
  106    HA   SER  27           HA       SER  27  -2.270  -4.989   6.137
  107    HB2  SER  27           HB2      SER  27  -3.191  -6.656   4.509
  108    HB3  SER  27           HB1      SER  27  -2.237  -5.875   3.254
  109    HG   SER  27           HG       SER  27  -1.460  -7.776   4.880
  110    H    TYR  28           HN       TYR  28  -0.077  -4.568   6.209
  111    HA   TYR  28           HA       TYR  28   1.066  -2.914   4.130
  112    HB2  TYR  28           HB2      TYR  28   0.766  -2.063   7.007
  113    HB3  TYR  28           HB1      TYR  28   2.040  -1.414   5.982
  114    HD1  TYR  28           HD1      TYR  28   1.500   0.062   4.107
  115    HD2  TYR  28           HD2      TYR  28  -1.551  -1.408   6.687
  116    HE1  TYR  28           HE1      TYR  28  -0.020   1.786   3.268
  117    HE2  TYR  28           HE2      TYR  28  -3.093   0.317   5.845
  118    HH   TYR  28           HH       TYR  28  -2.449   2.153   3.064
  119    H    ARG  29           HN       ARG  29   2.864  -4.047   3.598
  120    HA   ARG  29           HA       ARG  29   4.653  -4.986   5.665
  121    HB2  ARG  29           HB2      ARG  29   2.956  -6.797   5.388
  122    HB3  ARG  29           HB1      ARG  29   3.433  -6.920   3.703
  123    HG2  ARG  29           HG2      ARG  29   5.725  -7.494   4.437
  124    HG3  ARG  29           HG1      ARG  29   5.148  -7.485   6.104
  125    HD2  ARG  29           HD2      ARG  29   4.238  -9.291   3.876
  126    HD3  ARG  29           HD1      ARG  29   5.176  -9.747   5.297
  127    HE   ARG  29           HE       ARG  29   2.907  -8.692   6.346
  128   HH11  ARG  29          HH11      ARG  29   3.558 -11.211   4.008
  129   HH12  ARG  29          HH12      ARG  29   2.112 -12.099   4.370
  130   HH21  ARG  29          HH21      ARG  29   1.007  -9.856   6.830
  131   HH22  ARG  29          HH22      ARG  29   0.655 -11.323   5.972
  132    H    CYS  30           HN       CYS  30   6.698  -4.718   4.973
  133    HA   CYS  30           HA       CYS  30   7.257  -3.752   2.377
  134    HB2  CYS  30           HB2      CYS  30   9.665  -4.106   3.072
  135    HB3  CYS  30           HB1      CYS  30   8.711  -3.089   4.144
  136    HG   CYS  30           HG       CYS  30  10.135  -6.076   4.725
  137    H    VAL  31           HN       VAL  31   7.570  -4.804   0.529
  138    HA   VAL  31           HA       VAL  31   7.533  -7.691   0.539
  139    HB   VAL  31           HB       VAL  31   7.461  -7.533  -1.906
  140   HG11  VAL  31          HG11      VAL  31   5.382  -7.469  -0.668
  141   HG12  VAL  31          HG12      VAL  31   5.269  -6.425  -2.086
  142   HG13  VAL  31          HG13      VAL  31   5.521  -5.721  -0.489
  143   HG21  VAL  31          HG21      VAL  31   7.574  -4.553  -1.501
  144   HG22  VAL  31          HG22      VAL  31   7.254  -5.375  -3.028
  145   HG23  VAL  31          HG23      VAL  31   8.823  -5.549  -2.244
  146    H    LYS  32           HN       LYS  32   9.772  -5.096  -0.208
  147    HA   LYS  32           HA       LYS  32  11.940  -7.036   0.071
  148    HB2  LYS  32           HB2      LYS  32  11.504  -6.458  -2.381
  149    HB3  LYS  32           HB1      LYS  32  12.029  -4.830  -1.979
  150    HG2  LYS  32           HG2      LYS  32  14.192  -5.702  -1.243
  151    HG3  LYS  32           HG1      LYS  32  13.675  -7.330  -1.682
  152    HD2  LYS  32           HD2      LYS  32  13.444  -6.635  -4.011
  153    HD3  LYS  32           HD1      LYS  32  13.930  -4.995  -3.576
  154    HE2  LYS  32           HE2      LYS  32  16.094  -5.888  -2.781
  155    HE3  LYS  32           HE1      LYS  32  15.603  -7.491  -3.325
  156    HZ1  LYS  32           HZ1      LYS  32  15.934  -5.103  -5.052
  157    HZ2  LYS  32           HZ2      LYS  32  15.457  -6.633  -5.582
  158    HZ3  LYS  32           HZ3      LYS  32  17.008  -6.404  -4.952
  159    H    GLU  33           HN       GLU  33  13.296  -6.386   1.592
  160    HA   GLU  33           HA       GLU  33  14.079  -3.606   1.815
  161    HB2  GLU  33           HB2      GLU  33  12.158  -3.681   3.331
  162    HB3  GLU  33           HB1      GLU  33  12.831  -5.082   4.148
  163    HG2  GLU  33           HG2      GLU  33  14.776  -3.669   4.806
  164    HG3  GLU  33           HG1      GLU  33  13.920  -2.281   4.136
  165    H    GLY  34           HN       GLY  34  16.189  -3.418   2.527
  166    HA2  GLY  34           HA2      GLY  34  18.220  -4.056   3.423
  167    HA3  GLY  34           HA1      GLY  34  17.437  -5.492   4.066
  168    H    GLY  35           HN       GLY  35  18.768  -7.110   3.429
  169    HA2  GLY  35           HA2      GLY  35  19.098  -8.691   1.584
  170    HA3  GLY  35           HA1      GLY  35  19.267  -7.299   0.530
  171    HA   PRO  36           HA       PRO  36  23.603  -8.582   1.016
  172    HB2  PRO  36           HB2      PRO  36  23.733  -6.373  -0.985
  173    HB3  PRO  36           HB1      PRO  36  24.490  -7.966  -1.021
  174    HG2  PRO  36           HG2      PRO  36  22.362  -7.460  -2.524
  175    HG3  PRO  36           HG1      PRO  36  22.547  -9.026  -1.712
  176    HD2  PRO  36           HD2      PRO  36  20.797  -6.716  -0.998
  177    HD3  PRO  36           HD1      PRO  36  20.475  -8.457  -0.857
  178    H    ALA  37           HN       ALA  37  23.091  -5.157   0.235
  179    HA   ALA  37           HA       ALA  37  23.499  -4.095   2.787
  180    HB1  ALA  37           HB1      ALA  37  25.770  -3.256   2.667
  181    HB2  ALA  37           HB2      ALA  37  26.002  -4.028   1.103
  182    HB3  ALA  37           HB3      ALA  37  25.777  -5.014   2.546
  183    H    HIS  38           HN       HIS  38  24.183  -3.618  -0.648
  184    HA   HIS  38           HA       HIS  38  23.946  -0.787  -0.559
  185    HB2  HIS  38           HB2      HIS  38  24.086  -0.860  -2.979
  186    HB3  HIS  38           HB1      HIS  38  25.250  -1.984  -2.294
  187    HD1  HIS  38           HD1      HIS  38  25.014  -4.440  -2.924
  188    HD2  HIS  38           HD2      HIS  38  21.867  -2.096  -4.287
  189    HE1  HIS  38           HE1      HIS  38  23.677  -5.921  -4.446
  190    HE2  HIS  38           HE2      HIS  38  21.893  -4.426  -5.402
  191    H    ALA  39           HN       ALA  39  21.615  -3.296  -0.718
  192    HA   ALA  39           HA       ALA  39  19.677  -1.689  -2.172
  193    HB1  ALA  39           HB1      ALA  39  19.423  -4.487  -1.078
  194    HB2  ALA  39           HB2      ALA  39  19.906  -4.066  -2.720
  195    HB3  ALA  39           HB3      ALA  39  18.283  -3.678  -2.152
  196    H    LYS  40           HN       LYS  40  20.086  -0.266  -0.043
  197    HA   LYS  40           HA       LYS  40  18.168  -1.046   2.005
  198    HB2  LYS  40           HB2      LYS  40  20.496   0.112   2.402
  199    HB3  LYS  40           HB1      LYS  40  19.579   1.574   2.078
  200    HG2  LYS  40           HG2      LYS  40  19.664   1.214   4.441
  201    HG3  LYS  40           HG1      LYS  40  18.013   0.982   3.869
  202    HD2  LYS  40           HD2      LYS  40  18.292  -0.800   5.317
  203    HD3  LYS  40           HD1      LYS  40  18.667  -1.526   3.758
  204    HE2  LYS  40           HE2      LYS  40  20.764  -0.425   5.611
  205    HE3  LYS  40           HE1      LYS  40  20.221  -2.097   5.658
  206    HZ1  LYS  40           HZ1      LYS  40  21.550  -0.725   3.386
  207    HZ2  LYS  40           HZ2      LYS  40  20.919  -2.290   3.314
  208    HZ3  LYS  40           HZ3      LYS  40  22.200  -1.946   4.356
  209    H    ARG  41           HN       ARG  41  17.661  -0.096  -0.857
  210    HA   ARG  41           HA       ARG  41  15.746   2.028  -0.331
  211    HB2  ARG  41           HB2      ARG  41  15.667   0.290  -2.786
  212    HB3  ARG  41           HB1      ARG  41  15.144   1.951  -2.605
  213    HG2  ARG  41           HG2      ARG  41  17.531   2.615  -2.374
  214    HG3  ARG  41           HG1      ARG  41  17.975   0.952  -2.763
  215    HD2  ARG  41           HD2      ARG  41  16.426   2.861  -4.512
  216    HD3  ARG  41           HD1      ARG  41  18.090   2.336  -4.752
  217    HE   ARG  41           HE       ARG  41  16.412   0.078  -4.687
  218   HH11  ARG  41          HH11      ARG  41  17.141   2.826  -6.720
  219   HH12  ARG  41          HH12      ARG  41  16.698   2.023  -8.189
  220   HH21  ARG  41          HH21      ARG  41  15.839  -0.994  -6.632
  221   HH22  ARG  41          HH22      ARG  41  15.951  -0.145  -8.141
  222    H    PHE  42           HN       PHE  42  13.534   1.673  -0.105
  223    HA   PHE  42           HA       PHE  42  12.936  -1.115   0.616
  224    HB2  PHE  42           HB2      PHE  42  11.564   1.336   1.723
  225    HB3  PHE  42           HB1      PHE  42  11.489  -0.311   2.338
  226    HD1  PHE  42           HD1      PHE  42  14.321  -1.095   2.385
  227    HD2  PHE  42           HD2      PHE  42  12.479   2.603   3.403
  228    HE1  PHE  42           HE1      PHE  42  16.202  -0.577   3.895
  229    HE2  PHE  42           HE2      PHE  42  14.341   3.118   4.916
  230    HZ   PHE  42           HZ       PHE  42  16.203   1.529   5.169
  231    H    THR  43           HN       THR  43  11.301  -2.117  -0.285
  232    HA   THR  43           HA       THR  43   9.463  -0.572  -1.992
  233    HB   THR  43           HB       THR  43  10.490  -3.374  -2.563
  234    HG1  THR  43           HG1      THR  43  12.157  -1.816  -2.826
  235   HG21  THR  43          HG21      THR  43   9.494  -3.006  -4.778
  236   HG22  THR  43          HG22      THR  43   8.918  -1.422  -4.257
  237   HG23  THR  43          HG23      THR  43   8.281  -2.883  -3.502
  238    H    PHE  44           HN       PHE  44   7.311  -0.911  -1.420
  239    HA   PHE  44           HA       PHE  44   6.715  -3.290   0.159
  240    HB2  PHE  44           HB2      PHE  44   6.714  -1.923   1.979
  241    HB3  PHE  44           HB1      PHE  44   6.703  -0.467   0.991
  242    HD1  PHE  44           HD2      PHE  44   4.475  -3.184   2.198
  243    HD2  PHE  44           HD1      PHE  44   4.839   0.846   0.909
  244    HE1  PHE  44           HE2      PHE  44   2.113  -2.804   2.738
  245    HE2  PHE  44           HE1      PHE  44   2.484   1.238   1.469
  246    HZ   PHE  44           HZ       PHE  44   1.120  -0.588   2.383
  247    H    GLY  45           HN       GLY  45   4.466  -3.924   0.043
  248    HA2  GLY  45           HA2      GLY  45   2.937  -2.550  -2.076
  249    HA3  GLY  45           HA1      GLY  45   3.062  -4.304  -2.031
  250    H    VAL  46           HN       VAL  46   0.754  -2.338  -1.738
  251    HA   VAL  46           HA       VAL  46  -0.142  -3.002   1.002
  252    HB   VAL  46           HB       VAL  46  -1.765  -1.160  -0.638
  253   HG11  VAL  46          HG11      VAL  46  -0.813  -1.156   2.210
  254   HG12  VAL  46          HG12      VAL  46  -2.413  -1.588   1.608
  255   HG13  VAL  46          HG13      VAL  46  -1.852   0.080   1.508
  256   HG21  VAL  46          HG21      VAL  46  -0.328   0.785  -0.174
  257   HG22  VAL  46          HG22      VAL  46   0.381  -0.353  -1.320
  258   HG23  VAL  46          HG23      VAL  46   0.945  -0.317   0.349
  259    H    ARG  47           HN       ARG  47  -2.364  -3.733   1.283
  260    HA   ARG  47           HA       ARG  47  -3.931  -4.195  -1.093
  261    HB2  ARG  47           HB2      ARG  47  -4.455  -6.540  -0.381
  262    HB3  ARG  47           HB1      ARG  47  -2.798  -6.330  -0.926
  263    HG2  ARG  47           HG2      ARG  47  -2.091  -6.203   1.437
  264    HG3  ARG  47           HG1      ARG  47  -3.755  -6.523   1.918
  265    HD2  ARG  47           HD2      ARG  47  -2.658  -8.600   2.013
  266    HD3  ARG  47           HD1      ARG  47  -3.600  -8.631   0.523
  267    HE   ARG  47           HE       ARG  47  -0.805  -7.814   0.337
  268   HH11  ARG  47          HH11      ARG  47  -3.229 -10.286  -0.161
  269   HH12  ARG  47          HH12      ARG  47  -2.228 -11.244  -1.199
  270   HH21  ARG  47          HH21      ARG  47   0.533  -9.071  -1.010
  271   HH22  ARG  47          HH22      ARG  47  -0.083 -10.553  -1.681
  272    H    VAL  48           HN       VAL  48  -6.143  -4.277  -0.630
  273    HA   VAL  48           HA       VAL  48  -6.857  -3.612   2.163
  274    HB   VAL  48           HB       VAL  48  -7.893  -2.343  -0.379
  275   HG11  VAL  48          HG11      VAL  48  -9.345  -0.985   1.047
  276   HG12  VAL  48          HG12      VAL  48  -8.843  -1.925   2.453
  277   HG13  VAL  48          HG13      VAL  48  -9.756  -2.698   1.157
  278   HG21  VAL  48          HG21      VAL  48  -6.619  -1.052   2.018
  279   HG22  VAL  48          HG22      VAL  48  -6.949  -0.328   0.443
  280   HG23  VAL  48          HG23      VAL  48  -5.710  -1.573   0.604
  281    H    ASN  49           HN       ASN  49  -9.011  -4.195   2.825
  282    HA   ASN  49           HA       ASN  49  -9.931  -6.618   1.473
  283    HB2  ASN  49           HB2      ASN  49  -9.466  -6.749   3.890
  284    HB3  ASN  49           HB1      ASN  49 -10.674  -5.504   4.183
  285   HD21  ASN  49          HD21      ASN  49 -11.012  -8.077   1.824
  286   HD22  ASN  49          HD22      ASN  49 -12.299  -8.899   2.631
  287    H    THR  50           HN       THR  50 -10.874  -5.614  -0.195
  288    HA   THR  50           HA       THR  50 -13.049  -3.731   0.111
  289    HB   THR  50           HB       THR  50 -13.581  -4.181  -2.291
  290    HG1  THR  50           HG1      THR  50 -11.289  -5.891  -2.129
  291   HG21  THR  50          HG21      THR  50 -10.700  -3.535  -1.667
  292   HG22  THR  50          HG22      THR  50 -12.048  -2.398  -1.686
  293   HG23  THR  50          HG23      THR  50 -11.526  -3.170  -3.183
  294    H    SER  51           HN       SER  51 -14.818  -4.306   1.108
  295    HA   SER  51           HA       SER  51 -15.613  -6.831   1.802
  296    HB2  SER  51           HB2      SER  51 -16.480  -4.769   2.820
  297    HB3  SER  51           HB1      SER  51 -17.409  -4.439   1.360
  298    HG   SER  51           HG       SER  51 -18.786  -6.019   1.844
  299    H    ASP  52           HN       ASP  52 -16.208  -5.212  -1.228
  300    HA   ASP  52           HA       ASP  52 -18.254  -7.106  -2.008
  301    HB2  ASP  52           HB2      ASP  52 -18.493  -5.791  -3.998
  302    HB3  ASP  52           HB1      ASP  52 -18.429  -4.716  -2.609
  303    H    ARG  53           HN       ARG  53 -14.821  -6.993  -2.224
  304    HA   ARG  53           HA       ARG  53 -14.911  -9.049  -4.328
  305    HB2  ARG  53           HB2      ARG  53 -14.205  -6.904  -5.312
  306    HB3  ARG  53           HB1      ARG  53 -12.905  -6.793  -4.137
  307    HG2  ARG  53           HG2      ARG  53 -11.972  -8.895  -5.059
  308    HG3  ARG  53           HG1      ARG  53 -13.211  -8.838  -6.313
  309    HD2  ARG  53           HD2      ARG  53 -11.122  -6.732  -5.784
  310    HD3  ARG  53           HD1      ARG  53 -11.096  -7.900  -7.106
  311    HE   ARG  53           HE       ARG  53 -13.464  -6.257  -7.028
  312   HH11  ARG  53          HH11      ARG  53 -10.174  -6.497  -8.190
  313   HH12  ARG  53          HH12      ARG  53 -10.415  -5.383  -9.496
  314   HH21  ARG  53          HH21      ARG  53 -13.787  -4.789  -8.749
  315   HH22  ARG  53          HH22      ARG  53 -12.472  -4.422  -9.821
  316    H    GLY  54           HN       GLY  54 -12.911  -7.512  -1.845
  317    HA2  GLY  54           HA2      GLY  54 -12.173  -9.044  -0.031
  318    HA3  GLY  54           HA1      GLY  54 -11.649 -10.115  -1.316
  319    H    TRP  55           HN       TRP  55  -9.570 -10.030  -0.262
  320    HA   TRP  55           HA       TRP  55  -7.944  -7.814  -0.068
  321    HB2  TRP  55           HB2      TRP  55  -7.435 -10.690  -0.627
  322    HB3  TRP  55           HB1      TRP  55  -6.115  -9.563  -0.907
  323    HD1  TRP  55           HD1      TRP  55  -6.868 -11.855   1.579
  324    HE1  TRP  55           HE1      TRP  55  -6.188 -11.097   3.944
  325    HE3  TRP  55           HE3      TRP  55  -6.434  -6.841   0.733
  326    HZ2  TRP  55           HZ2      TRP  55  -5.545  -8.681   5.255
  327    HZ3  TRP  55           HZ3      TRP  55  -5.787  -5.383   2.599
  328    HH2  TRP  55           HH2      TRP  55  -5.362  -6.277   4.816
  329    H    THR  56           HN       THR  56  -7.437  -6.317  -1.454
  330    HA   THR  56           HA       THR  56  -7.935  -6.500  -4.241
  331    HB   THR  56           HB       THR  56  -6.795  -4.290  -4.354
  332    HG1  THR  56           HG1      THR  56  -5.329  -4.100  -2.813
  333   HG21  THR  56          HG21      THR  56  -8.418  -3.081  -2.955
  334   HG22  THR  56          HG22      THR  56  -8.819  -4.590  -2.136
  335   HG23  THR  56          HG23      THR  56  -9.176  -4.397  -3.852
  336    H    ASP  57           HN       ASP  57  -6.232  -5.911  -5.879
  337    HA   ASP  57           HA       ASP  57  -4.063  -7.732  -5.782
  338    HB2  ASP  57           HB2      ASP  57  -3.301  -6.580  -7.857
  339    HB3  ASP  57           HB1      ASP  57  -4.975  -7.105  -7.928
  340    H    GLU  58           HN       GLU  58  -2.137  -7.509  -4.955
  341    HA   GLU  58           HA       GLU  58  -1.596  -5.445  -3.162
  342    HB2  GLU  58           HB2      GLU  58  -0.710  -7.660  -2.883
  343    HB3  GLU  58           HB1      GLU  58   0.244  -7.513  -4.346
  344    HG2  GLU  58           HG2      GLU  58   1.566  -5.754  -3.294
  345    HG3  GLU  58           HG1      GLU  58   0.601  -5.907  -1.826
  346    H    CYS  59           HN       CYS  59  -0.942  -3.512  -3.467
  347    HA   CYS  59           HA       CYS  59   0.143  -2.746  -6.078
  348    HB2  CYS  59           HB2      CYS  59  -1.015  -1.029  -3.873
  349    HB3  CYS  59           HB1      CYS  59  -0.508  -0.458  -5.460
  350    HG   CYS  59           HG       CYS  59  -2.773  -2.936  -5.535
  351    H    ILE  60           HN       ILE  60   2.290  -3.003  -6.037
  352    HA   ILE  60           HA       ILE  60   3.925  -2.364  -3.783
  353    HB   ILE  60           HB       ILE  60   4.424  -3.237  -6.606
  354   HG12  ILE  60          HG12      ILE  60   5.585  -5.079  -5.514
  355   HG13  ILE  60          HG11      ILE  60   5.352  -4.328  -3.943
  356   HG21  ILE  60          HG21      ILE  60   6.092  -1.521  -6.266
  357   HG22  ILE  60          HG22      ILE  60   6.843  -3.116  -6.258
  358   HG23  ILE  60          HG23      ILE  60   6.572  -2.260  -4.739
  359   HD11  ILE  60          HD11      ILE  60   3.218  -5.420  -5.755
  360   HD12  ILE  60          HD12      ILE  60   2.925  -4.581  -4.232
  361   HD13  ILE  60          HD13      ILE  60   3.788  -6.121  -4.239
  362    H    GLY  61           HN       GLY  61   4.739  -0.485  -3.242
  363    HA2  GLY  61           HA2      GLY  61   4.257   1.842  -4.890
  364    HA3  GLY  61           HA1      GLY  61   4.923   1.830  -3.264
  365    H    GLU  62           HN       GLU  62   6.385   3.431  -4.065
  366    HA   GLU  62           HA       GLU  62   8.324   2.598  -6.069
  367    HB2  GLU  62           HB2      GLU  62   8.019   5.232  -4.611
  368    HB3  GLU  62           HB1      GLU  62   9.047   4.929  -6.007
  369    HG2  GLU  62           HG2      GLU  62   7.137   4.548  -7.404
  370    HG3  GLU  62           HG1      GLU  62   6.051   4.649  -6.020
  371    HA   PRO  63           HA       PRO  63  11.372   1.258  -3.062
  372    HB2  PRO  63           HB2      PRO  63  13.195   2.248  -5.204
  373    HB3  PRO  63           HB1      PRO  63  13.196   0.698  -4.356
  374    HG2  PRO  63           HG2      PRO  63  12.295   0.876  -6.854
  375    HG3  PRO  63           HG1      PRO  63  11.497  -0.172  -5.668
  376    HD2  PRO  63           HD2      PRO  63  10.640   2.476  -6.737
  377    HD3  PRO  63           HD1      PRO  63   9.659   1.074  -6.266
  378    H    MET  64           HN       MET  64  11.590   2.613  -1.382
  379    HA   MET  64           HA       MET  64  12.385   5.396  -1.918
  380    HB2  MET  64           HB2      MET  64  10.574   4.136   0.105
  381    HB3  MET  64           HB1      MET  64  11.314   5.698   0.424
  382    HG2  MET  64           HG2      MET  64   9.558   5.026  -1.921
  383    HG3  MET  64           HG1      MET  64   9.080   5.935  -0.489
  384    HE1  MET  64           HE1      MET  64   8.220   7.448  -2.652
  385    HE2  MET  64           HE2      MET  64   9.088   8.981  -2.732
  386    HE3  MET  64           HE3      MET  64   8.527   8.367  -1.174
  387    HA   PRO  65           HA       PRO  65  15.908   4.762   0.711
  388    HB2  PRO  65           HB2      PRO  65  16.561   7.306   1.234
  389    HB3  PRO  65           HB1      PRO  65  16.720   6.625  -0.388
  390    HG2  PRO  65           HG2      PRO  65  14.573   8.381   0.726
  391    HG3  PRO  65           HG1      PRO  65  15.359   8.444  -0.861
  392    HD2  PRO  65           HD2      PRO  65  12.902   7.296  -0.393
  393    HD3  PRO  65           HD1      PRO  65  13.969   6.859  -1.740
  394    H    SER  66           HN       SER  66  12.928   5.624   1.907
  395    HA   SER  66           HA       SER  66  13.860   5.255   4.621
  396    HB2  SER  66           HB2      SER  66  13.883   7.710   4.330
  397    HB3  SER  66           HB1      SER  66  12.199   7.662   3.813
  398    HG   SER  66           HG       SER  66  13.228   6.916   6.357
  399    H    VAL  67           HN       VAL  67  12.312   4.352   5.941
  400    HA   VAL  67           HA       VAL  67  10.451   2.672   4.651
  401    HB   VAL  67           HB       VAL  67  10.567   3.356   7.595
  402   HG11  VAL  67          HG11      VAL  67   8.512   2.220   6.989
  403   HG12  VAL  67          HG12      VAL  67   9.556   1.140   7.912
  404   HG13  VAL  67          HG13      VAL  67   9.426   0.960   6.163
  405   HG21  VAL  67          HG21      VAL  67  12.737   2.601   6.801
  406   HG22  VAL  67          HG22      VAL  67  11.990   1.182   6.066
  407   HG23  VAL  67          HG23      VAL  67  11.986   1.373   7.820
  408    H    LYS  68           HN       LYS  68  10.092   5.782   6.242
  409    HA   LYS  68           HA       LYS  68   7.296   5.741   6.506
  410    HB2  LYS  68           HB2      LYS  68   8.517   7.263   7.839
  411    HB3  LYS  68           HB1      LYS  68   9.392   7.902   6.456
  412    HG2  LYS  68           HG2      LYS  68   7.398   8.941   5.642
  413    HG3  LYS  68           HG1      LYS  68   6.456   8.271   6.973
  414    HD2  LYS  68           HD2      LYS  68   7.899   9.510   8.561
  415    HD3  LYS  68           HD1      LYS  68   8.742  10.234   7.192
  416    HE2  LYS  68           HE2      LYS  68   5.806  10.531   7.818
  417    HE3  LYS  68           HE1      LYS  68   7.049  11.743   8.117
  418    HZ1  LYS  68           HZ1      LYS  68   6.218  10.704   5.464
  419    HZ2  LYS  68           HZ2      LYS  68   7.467  11.813   5.719
  420    HZ3  LYS  68           HZ3      LYS  68   5.875  12.236   6.092
  421    H    LYS  69           HN       LYS  69   9.486   6.728   3.933
  422    HA   LYS  69           HA       LYS  69   7.490   7.941   2.289
  423    HB2  LYS  69           HB2      LYS  69  10.227   6.891   1.545
  424    HB3  LYS  69           HB1      LYS  69   9.239   7.978   0.583
  425    HG2  LYS  69           HG2      LYS  69   9.457   9.704   2.223
  426    HG3  LYS  69           HG1      LYS  69  10.326   8.612   3.304
  427    HD2  LYS  69           HD2      LYS  69  11.947   9.999   2.245
  428    HD3  LYS  69           HD1      LYS  69  12.076   8.398   1.523
  429    HE2  LYS  69           HE2      LYS  69  12.210  10.056  -0.209
  430    HE3  LYS  69           HE1      LYS  69  10.687   9.186  -0.369
  431    HZ1  LYS  69           HZ1      LYS  69  10.360  11.546  -0.664
  432    HZ2  LYS  69           HZ2      LYS  69  11.042  11.874   0.845
  433    HZ3  LYS  69           HZ3      LYS  69   9.578  11.038   0.745
  434    H    ALA  70           HN       ALA  70   8.877   4.766   2.685
  435    HA   ALA  70           HA       ALA  70   8.122   3.562   0.297
  436    HB1  ALA  70           HB1      ALA  70   8.297   1.440   1.476
  437    HB2  ALA  70           HB2      ALA  70   8.245   2.279   3.025
  438    HB3  ALA  70           HB3      ALA  70   9.615   2.516   1.940
  439    H    LYS  71           HN       LYS  71   6.381   3.287   3.409
  440    HA   LYS  71           HA       LYS  71   4.044   2.164   2.549
  441    HB2  LYS  71           HB2      LYS  71   4.418   4.224   4.697
  442    HB3  LYS  71           HB1      LYS  71   2.987   3.220   4.495
  443    HG2  LYS  71           HG2      LYS  71   5.769   2.197   5.014
  444    HG3  LYS  71           HG1      LYS  71   4.489   2.375   6.194
  445    HD2  LYS  71           HD2      LYS  71   3.147   0.724   5.149
  446    HD3  LYS  71           HD1      LYS  71   4.226   0.658   3.756
  447    HE2  LYS  71           HE2      LYS  71   4.532  -1.256   5.266
  448    HE3  LYS  71           HE1      LYS  71   5.988  -0.275   5.121
  449    HZ1  LYS  71           HZ1      LYS  71   5.511   0.732   7.238
  450    HZ2  LYS  71           HZ2      LYS  71   5.523  -0.949   7.415
  451    HZ3  LYS  71           HZ3      LYS  71   4.053  -0.115   7.368
  452    H    ASP  72           HN       ASP  72   4.784   5.613   2.841
  453    HA   ASP  72           HA       ASP  72   2.438   6.736   1.991
  454    HB2  ASP  72           HB2      ASP  72   4.287   8.047   2.875
  455    HB3  ASP  72           HB1      ASP  72   5.252   7.699   1.444
  456    H    SER  73           HN       SER  73   5.176   5.808  -0.149
  457    HA   SER  73           HA       SER  73   4.006   6.854  -2.472
  458    HB2  SER  73           HB2      SER  73   5.694   5.561  -3.692
  459    HB3  SER  73           HB1      SER  73   6.402   6.355  -2.287
  460    HG   SER  73           HG       SER  73   6.099   4.292  -1.181
  461    H    ALA  74           HN       ALA  74   3.861   3.603  -1.071
  462    HA   ALA  74           HA       ALA  74   2.492   2.429  -3.283
  463    HB1  ALA  74           HB1      ALA  74   2.192   0.526  -1.879
  464    HB2  ALA  74           HB2      ALA  74   2.467   1.481  -0.421
  465    HB3  ALA  74           HB3      ALA  74   3.796   1.179  -1.547
  466    H    ALA  75           HN       ALA  75   1.502   3.786  -0.209
  467    HA   ALA  75           HA       ALA  75  -1.234   3.345  -0.258
  468    HB1  ALA  75           HB1      ALA  75  -1.449   5.266   1.214
  469    HB2  ALA  75           HB2      ALA  75   0.167   5.812   0.769
  470    HB3  ALA  75           HB3      ALA  75  -0.040   4.302   1.656
  471    H    VAL  76           HN       VAL  76   0.644   5.762  -2.029
  472    HA   VAL  76           HA       VAL  76  -1.480   7.413  -2.853
  473    HB   VAL  76           HB       VAL  76   1.134   6.834  -4.265
  474   HG11  VAL  76          HG11      VAL  76   0.778   8.962  -5.420
  475   HG12  VAL  76          HG12      VAL  76  -0.803   9.110  -4.654
  476   HG13  VAL  76          HG13      VAL  76  -0.497   7.802  -5.795
  477   HG21  VAL  76          HG21      VAL  76   1.443   7.718  -2.015
  478   HG22  VAL  76          HG22      VAL  76   0.365   9.063  -2.388
  479   HG23  VAL  76          HG23      VAL  76   1.906   8.909  -3.231
  480    H    LEU  77           HN       LEU  77  -0.159   4.423  -4.155
  481    HA   LEU  77           HA       LEU  77  -1.695   4.511  -6.586
  482    HB2  LEU  77           HB2      LEU  77  -0.222   2.253  -5.220
  483    HB3  LEU  77           HB1      LEU  77  -0.965   2.138  -6.799
  484    HG   LEU  77           HG       LEU  77   1.318   3.974  -6.081
  485   HD11  LEU  77          HD11      LEU  77   1.279   1.441  -7.715
  486   HD12  LEU  77          HD12      LEU  77   1.962   1.615  -6.098
  487   HD13  LEU  77          HD13      LEU  77   2.673   2.491  -7.454
  488   HD21  LEU  77          HD21      LEU  77  -0.057   4.928  -7.827
  489   HD22  LEU  77          HD22      LEU  77  -0.035   3.405  -8.715
  490   HD23  LEU  77          HD23      LEU  77   1.451   4.331  -8.519
  491    H    LEU  78           HN       LEU  78  -1.982   3.290  -3.383
  492    HA   LEU  78           HA       LEU  78  -4.207   1.592  -3.696
  493    HB2  LEU  78           HB2      LEU  78  -2.554   1.776  -1.779
  494    HB3  LEU  78           HB1      LEU  78  -3.463   3.177  -1.262
  495    HG   LEU  78           HG       LEU  78  -5.482   1.700  -1.088
  496   HD11  LEU  78          HD11      LEU  78  -4.735  -0.093  -2.563
  497   HD12  LEU  78          HD12      LEU  78  -5.085  -0.718  -0.954
  498   HD13  LEU  78          HD13      LEU  78  -3.416  -0.468  -1.457
  499   HD21  LEU  78          HD21      LEU  78  -4.473   0.512   0.988
  500   HD22  LEU  78          HD22      LEU  78  -4.512   2.273   0.932
  501   HD23  LEU  78          HD23      LEU  78  -3.009   1.418   0.574
  502    H    LEU  79           HN       LEU  79  -3.866   5.004  -2.806
  503    HA   LEU  79           HA       LEU  79  -6.577   5.576  -2.405
  504    HB2  LEU  79           HB2      LEU  79  -4.125   7.131  -2.952
  505    HB3  LEU  79           HB1      LEU  79  -5.635   7.929  -3.329
  506    HG   LEU  79           HG       LEU  79  -4.811   8.500  -1.084
  507   HD11  LEU  79          HD11      LEU  79  -7.208   8.556  -1.539
  508   HD12  LEU  79          HD12      LEU  79  -6.880   8.089   0.130
  509   HD13  LEU  79          HD13      LEU  79  -7.344   6.866  -1.051
  510   HD21  LEU  79          HD21      LEU  79  -3.671   6.407  -0.576
  511   HD22  LEU  79          HD22      LEU  79  -5.226   5.576  -0.487
  512   HD23  LEU  79          HD23      LEU  79  -4.828   6.828   0.690
  513    H    GLU  80           HN       GLU  80  -4.694   5.268  -5.328
  514    HA   GLU  80           HA       GLU  80  -6.698   6.424  -7.021
  515    HB2  GLU  80           HB2      GLU  80  -4.356   4.633  -7.700
  516    HB3  GLU  80           HB1      GLU  80  -5.349   5.504  -8.869
  517    HG2  GLU  80           HG2      GLU  80  -4.658   7.618  -7.650
  518    HG3  GLU  80           HG1      GLU  80  -3.454   6.625  -6.832
  519    H    LEU  81           HN       LEU  81  -5.803   3.201  -5.978
  520    HA   LEU  81           HA       LEU  81  -7.551   1.724  -7.622
  521    HB2  LEU  81           HB2      LEU  81  -5.630   0.832  -6.269
  522    HB3  LEU  81           HB1      LEU  81  -6.618   1.043  -4.845
  523    HG   LEU  81           HG       LEU  81  -7.526  -0.717  -7.104
  524   HD11  LEU  81          HD11      LEU  81  -6.536  -2.612  -5.923
  525   HD12  LEU  81          HD12      LEU  81  -5.794  -1.506  -4.765
  526   HD13  LEU  81          HD13      LEU  81  -5.300  -1.474  -6.457
  527   HD21  LEU  81          HD21      LEU  81  -9.185  -0.124  -5.405
  528   HD22  LEU  81          HD22      LEU  81  -8.104  -0.709  -4.140
  529   HD23  LEU  81          HD23      LEU  81  -8.774  -1.836  -5.319
  530    H    LEU  82           HN       LEU  82  -7.854   2.911  -4.309
  531    HA   LEU  82           HA       LEU  82 -10.533   2.204  -3.880
  532    HB2  LEU  82           HB2      LEU  82  -8.519   3.938  -2.611
  533    HB3  LEU  82           HB1      LEU  82 -10.187   4.345  -2.260
  534    HG   LEU  82           HG       LEU  82 -10.587   2.303  -1.193
  535   HD11  LEU  82          HD11      LEU  82  -9.674   0.739  -2.744
  536   HD12  LEU  82          HD12      LEU  82  -8.937   0.440  -1.170
  537   HD13  LEU  82          HD13      LEU  82  -8.032   1.299  -2.419
  538   HD21  LEU  82          HD21      LEU  82  -8.853   2.154   0.513
  539   HD22  LEU  82          HD22      LEU  82  -9.219   3.835   0.124
  540   HD23  LEU  82          HD23      LEU  82  -7.759   3.080  -0.514
  541    H    ASN  83           HN       ASN  83  -9.238   4.652  -5.866
  542    HA   ASN  83           HA       ASN  83 -11.696   6.236  -5.755
  543    HB2  ASN  83           HB2      ASN  83  -9.562   7.453  -5.698
  544    HB3  ASN  83           HB1      ASN  83  -9.090   6.717  -7.221
  545   HD21  ASN  83          HD21      ASN  83  -9.797   7.582  -9.102
  546   HD22  ASN  83          HD22      ASN  83 -10.778   9.002  -9.204
  547    H    LYS  84           HN       LYS  84 -10.463   3.603  -7.288
  548    HA   LYS  84           HA       LYS  84 -12.034   4.054  -9.727
  549    HB2  LYS  84           HB2      LYS  84  -9.648   2.259  -9.245
  550    HB3  LYS  84           HB1      LYS  84 -10.606   2.235 -10.717
  551    HG2  LYS  84           HG2      LYS  84  -9.863   4.334 -11.384
  552    HG3  LYS  84           HG1      LYS  84  -9.324   4.762  -9.760
  553    HD2  LYS  84           HD2      LYS  84  -7.422   4.289 -11.220
  554    HD3  LYS  84           HD1      LYS  84  -7.526   3.104  -9.916
  555    HE2  LYS  84           HE2      LYS  84  -8.603   1.525 -11.453
  556    HE3  LYS  84           HE1      LYS  84  -8.491   2.711 -12.751
  557    HZ1  LYS  84           HZ1      LYS  84  -6.181   1.523 -11.316
  558    HZ2  LYS  84           HZ2      LYS  84  -6.092   2.624 -12.597
  559    HZ3  LYS  84           HZ3      LYS  84  -6.711   1.073 -12.856
  560    H    THR  85           HN       THR  85 -13.125   3.265  -7.256
  561    HA   THR  85           HA       THR  85 -14.509   0.901  -8.066
  562    HB   THR  85           HB       THR  85 -12.565  -0.172  -7.059
  563    HG1  THR  85           HG1      THR  85 -14.723  -1.060  -6.740
  564   HG21  THR  85          HG21      THR  85 -12.074   0.065  -4.672
  565   HG22  THR  85          HG22      THR  85 -13.305   1.322  -4.549
  566   HG23  THR  85          HG23      THR  85 -11.869   1.589  -5.535
  Start of MODEL   18
    1    H1   ASN  15           HT1      ASN  15  -5.295   6.306   6.023
    2    H2   ASN  15           HT2      ASN  15  -5.722   5.257   4.767
    3    H3   ASN  15           HT3      ASN  15  -4.459   4.853   5.815
    4    HA   ASN  15           HA       ASN  15  -6.438   3.587   6.337
    5    HB2  ASN  15           HB2      ASN  15  -4.826   4.284   8.125
    6    HB3  ASN  15           HB1      ASN  15  -5.835   5.687   8.442
    7   HD21  ASN  15          HD21      ASN  15  -5.531   2.245   8.737
    8   HD22  ASN  15          HD22      ASN  15  -6.842   2.024   9.846
    9    H    ASP  16           HN       ASP  16  -7.044   6.970   5.771
   10    HA   ASP  16           HA       ASP  16  -9.522   7.150   7.169
   11    HB2  ASP  16           HB2      ASP  16  -8.344   8.813   4.931
   12    HB3  ASP  16           HB1      ASP  16  -9.863   9.194   5.731
   13    H    ILE  17           HN       ILE  17  -8.650   6.689   3.768
   14    HA   ILE  17           HA       ILE  17 -11.210   6.507   2.702
   15    HB   ILE  17           HB       ILE  17  -8.625   5.235   1.808
   16   HG12  ILE  17          HG12      ILE  17  -8.896   6.942  -0.040
   17   HG13  ILE  17          HG11      ILE  17 -10.224   7.619   0.883
   18   HG21  ILE  17          HG21      ILE  17  -9.744   4.781  -0.345
   19   HG22  ILE  17          HG22      ILE  17 -11.281   5.237   0.388
   20   HG23  ILE  17          HG23      ILE  17 -10.404   3.831   0.986
   21   HD11  ILE  17          HD11      ILE  17  -8.735   8.150   2.699
   22   HD12  ILE  17          HD12      ILE  17  -8.153   8.863   1.194
   23   HD13  ILE  17          HD13      ILE  17  -7.388   7.410   1.837
   24    H    CYS  18           HN       CYS  18  -9.115   4.052   4.082
   25    HA   CYS  18           HA       CYS  18 -10.735   1.812   3.536
   26    HB2  CYS  18           HB2      CYS  18  -8.685   2.224   5.725
   27    HB3  CYS  18           HB1      CYS  18  -9.242   0.676   5.112
   28    HG   CYS  18           HG       CYS  18  -8.236   1.319   2.464
   29    H    LEU  19           HN       LEU  19 -10.367   3.935   6.302
   30    HA   LEU  19           HA       LEU  19 -12.047   2.574   8.100
   31    HB2  LEU  19           HB2      LEU  19 -10.389   4.291   8.683
   32    HB3  LEU  19           HB1      LEU  19 -11.396   5.507   7.943
   33    HG   LEU  19           HG       LEU  19 -13.148   5.077   9.617
   34   HD11  LEU  19          HD11      LEU  19 -12.623   3.707  11.587
   35   HD12  LEU  19          HD12      LEU  19 -11.119   3.196  10.819
   36   HD13  LEU  19          HD13      LEU  19 -12.668   2.748  10.108
   37   HD21  LEU  19          HD21      LEU  19 -12.009   6.121  11.485
   38   HD22  LEU  19          HD22      LEU  19 -11.452   6.820   9.964
   39   HD23  LEU  19          HD23      LEU  19 -10.444   5.655  10.821
   40    H    ARG  20           HN       ARG  20 -12.662   5.443   6.080
   41    HA   ARG  20           HA       ARG  20 -15.339   5.794   6.786
   42    HB2  ARG  20           HB2      ARG  20 -13.884   7.418   5.537
   43    HB3  ARG  20           HB1      ARG  20 -14.122   6.439   4.098
   44    HG2  ARG  20           HG2      ARG  20 -16.504   6.853   4.165
   45    HG3  ARG  20           HG1      ARG  20 -16.327   7.765   5.664
   46    HD2  ARG  20           HD2      ARG  20 -16.505   9.346   3.900
   47    HD3  ARG  20           HD1      ARG  20 -14.821   9.336   4.416
   48    HE   ARG  20           HE       ARG  20 -14.880   7.566   2.345
   49   HH11  ARG  20          HH11      ARG  20 -15.817  10.913   2.743
   50   HH12  ARG  20          HH12      ARG  20 -15.559  11.318   1.077
   51   HH21  ARG  20          HH21      ARG  20 -14.554   8.098   0.139
   52   HH22  ARG  20          HH22      ARG  20 -14.839   9.723  -0.400
   53    H    LYS  21           HN       LYS  21 -13.880   3.718   4.355
   54    HA   LYS  21           HA       LYS  21 -16.337   3.006   3.079
   55    HB2  LYS  21           HB2      LYS  21 -13.497   2.200   2.904
   56    HB3  LYS  21           HB1      LYS  21 -14.680   1.012   2.371
   57    HG2  LYS  21           HG2      LYS  21 -14.412   3.826   1.337
   58    HG3  LYS  21           HG1      LYS  21 -13.896   2.353   0.510
   59    HD2  LYS  21           HD2      LYS  21 -16.244   1.554   0.599
   60    HD3  LYS  21           HD1      LYS  21 -16.702   3.120   1.265
   61    HE2  LYS  21           HE2      LYS  21 -15.769   4.189  -0.773
   62    HE3  LYS  21           HE1      LYS  21 -15.468   2.585  -1.427
   63    HZ1  LYS  21           HZ1      LYS  21 -17.528   3.467  -2.275
   64    HZ2  LYS  21           HZ2      LYS  21 -18.123   3.697  -0.711
   65    HZ3  LYS  21           HZ3      LYS  21 -17.844   2.131  -1.288
   66    H    ASN  22           HN       ASN  22 -15.247   2.350   6.029
   67    HA   ASN  22           HA       ASN  22 -15.753   0.910   7.694
   68    HB2  ASN  22           HB2      ASN  22 -18.071   1.369   6.811
   69    HB3  ASN  22           HB1      ASN  22 -17.947  -0.127   5.899
   70   HD21  ASN  22          HD21      ASN  22 -18.025   1.261   9.114
   71   HD22  ASN  22          HD22      ASN  22 -18.546  -0.175   9.924
   72    H    TRP  23           HN       TRP  23 -13.795   0.178   5.792
   73    HA   TRP  23           HA       TRP  23 -13.982  -2.740   5.696
   74    HB2  TRP  23           HB2      TRP  23 -11.824  -0.839   4.742
   75    HB3  TRP  23           HB1      TRP  23 -11.774  -2.583   4.552
   76    HD1  TRP  23           HD1      TRP  23 -14.918  -2.804   3.546
   77    HE1  TRP  23           HE1      TRP  23 -15.404  -2.108   1.103
   78    HE3  TRP  23           HE3      TRP  23 -10.798   0.076   2.706
   79    HZ2  TRP  23           HZ2      TRP  23 -14.154  -0.547  -0.920
   80    HZ3  TRP  23           HZ3      TRP  23 -10.514   1.137   0.518
   81    HH2  TRP  23           HH2      TRP  23 -12.160   0.834  -1.261
   82    HA   PRO  24           HA       PRO  24 -11.310  -3.202   9.284
   83    HB2  PRO  24           HB2      PRO  24  -9.718  -5.259   8.492
   84    HB3  PRO  24           HB1      PRO  24 -11.370  -5.480   9.072
   85    HG2  PRO  24           HG2      PRO  24 -10.334  -5.421   6.278
   86    HG3  PRO  24           HG1      PRO  24 -11.573  -6.464   6.993
   87    HD2  PRO  24           HD2      PRO  24 -12.167  -4.315   5.447
   88    HD3  PRO  24           HD1      PRO  24 -13.225  -4.872   6.754
   89    H    MET  25           HN       MET  25  -8.766  -3.465   9.667
   90    HA   MET  25           HA       MET  25  -7.673  -1.173   8.340
   91    HB2  MET  25           HB2      MET  25  -6.421  -3.013  10.377
   92    HB3  MET  25           HB1      MET  25  -5.832  -1.423   9.912
   93    HG2  MET  25           HG2      MET  25  -8.552  -1.843  11.100
   94    HG3  MET  25           HG1      MET  25  -7.121  -1.602  12.087
   95    HE1  MET  25           HE1      MET  25 -10.029   0.020  10.305
   96    HE2  MET  25           HE2      MET  25  -8.953   0.082   8.910
   97    HE3  MET  25           HE3      MET  25  -9.437   1.575   9.716
   98    HA   PRO  26           HA       PRO  26  -5.942  -3.381   4.932
   99    HB2  PRO  26           HB2      PRO  26  -4.055  -1.414   4.360
  100    HB3  PRO  26           HB1      PRO  26  -5.689  -1.508   3.713
  101    HG2  PRO  26           HG2      PRO  26  -4.632   0.150   5.936
  102    HG3  PRO  26           HG1      PRO  26  -5.920   0.512   4.779
  103    HD2  PRO  26           HD2      PRO  26  -6.416  -0.154   7.338
  104    HD3  PRO  26           HD1      PRO  26  -7.507  -0.607   6.012
  105    H    SER  27           HN       SER  27  -3.947  -4.173   4.150
  106    HA   SER  27           HA       SER  27  -2.158  -4.985   6.294
  107    HB2  SER  27           HB2      SER  27  -3.086  -6.609   4.646
  108    HB3  SER  27           HB1      SER  27  -2.196  -5.774   3.383
  109    HG   SER  27           HG       SER  27  -0.353  -6.593   4.093
  110    H    TYR  28           HN       TYR  28   0.058  -4.600   6.334
  111    HA   TYR  28           HA       TYR  28   1.206  -2.952   4.259
  112    HB2  TYR  28           HB2      TYR  28   0.955  -2.071   7.129
  113    HB3  TYR  28           HB1      TYR  28   2.236  -1.462   6.089
  114    HD1  TYR  28           HD1      TYR  28   1.716   0.024   4.209
  115    HD2  TYR  28           HD2      TYR  28  -1.348  -1.382   6.808
  116    HE1  TYR  28           HE1      TYR  28   0.211   1.760   3.355
  117    HE2  TYR  28           HE2      TYR  28  -2.857   0.357   5.959
  118    HH   TYR  28           HH       TYR  28  -2.774   2.507   4.848
  119    H    ARG  29           HN       ARG  29   2.975  -4.114   3.704
  120    HA   ARG  29           HA       ARG  29   4.839  -4.994   5.712
  121    HB2  ARG  29           HB2      ARG  29   3.194  -6.844   5.681
  122    HB3  ARG  29           HB1      ARG  29   3.439  -7.021   3.950
  123    HG2  ARG  29           HG2      ARG  29   5.767  -7.643   4.335
  124    HG3  ARG  29           HG1      ARG  29   5.533  -7.452   6.073
  125    HD2  ARG  29           HD2      ARG  29   3.823  -9.209   6.024
  126    HD3  ARG  29           HD1      ARG  29   4.084  -9.409   4.293
  127    HE   ARG  29           HE       ARG  29   6.545  -9.729   5.565
  128   HH11  ARG  29          HH11      ARG  29   3.437 -11.348   5.439
  129   HH12  ARG  29          HH12      ARG  29   4.109 -12.923   5.725
  130   HH21  ARG  29          HH21      ARG  29   7.421 -11.788   5.947
  131   HH22  ARG  29          HH22      ARG  29   6.380 -13.176   5.995
  132    H    CYS  30           HN       CYS  30   6.867  -4.882   4.877
  133    HA   CYS  30           HA       CYS  30   7.171  -3.829   2.253
  134    HB2  CYS  30           HB2      CYS  30   9.624  -3.962   2.767
  135    HB3  CYS  30           HB1      CYS  30   8.675  -3.068   3.947
  136    HG   CYS  30           HG       CYS  30   9.666  -6.313   4.382
  137    H    VAL  31           HN       VAL  31   7.662  -4.769   0.398
  138    HA   VAL  31           HA       VAL  31   7.709  -7.661   0.282
  139    HB   VAL  31           HB       VAL  31   7.912  -5.713  -2.021
  140   HG11  VAL  31          HG11      VAL  31   7.030  -7.566  -3.344
  141   HG12  VAL  31          HG12      VAL  31   7.005  -8.586  -1.906
  142   HG13  VAL  31          HG13      VAL  31   8.541  -8.009  -2.552
  143   HG21  VAL  31          HG21      VAL  31   5.444  -6.886  -0.748
  144   HG22  VAL  31          HG22      VAL  31   5.473  -6.005  -2.275
  145   HG23  VAL  31          HG23      VAL  31   5.910  -5.187  -0.774
  146    H    LYS  32           HN       LYS  32   9.876  -4.947  -0.136
  147    HA   LYS  32           HA       LYS  32  12.123  -6.803  -0.277
  148    HB2  LYS  32           HB2      LYS  32  11.567  -6.176  -2.605
  149    HB3  LYS  32           HB1      LYS  32  11.753  -4.488  -2.167
  150    HG2  LYS  32           HG2      LYS  32  14.111  -4.916  -1.608
  151    HG3  LYS  32           HG1      LYS  32  13.907  -6.579  -2.165
  152    HD2  LYS  32           HD2      LYS  32  13.331  -5.789  -4.385
  153    HD3  LYS  32           HD1      LYS  32  13.446  -4.117  -3.836
  154    HE2  LYS  32           HE2      LYS  32  15.825  -4.475  -3.325
  155    HE3  LYS  32           HE1      LYS  32  15.692  -6.121  -3.946
  156    HZ1  LYS  32           HZ1      LYS  32  15.188  -3.654  -5.520
  157    HZ2  LYS  32           HZ2      LYS  32  15.124  -5.240  -6.106
  158    HZ3  LYS  32           HZ3      LYS  32  16.598  -4.589  -5.594
  159    H    GLU  33           HN       GLU  33  13.587  -6.243   1.133
  160    HA   GLU  33           HA       GLU  33  14.283  -3.453   1.592
  161    HB2  GLU  33           HB2      GLU  33  12.626  -3.842   3.325
  162    HB3  GLU  33           HB1      GLU  33  13.423  -5.336   3.801
  163    HG2  GLU  33           HG2      GLU  33  15.463  -3.802   4.256
  164    HG3  GLU  33           HG1      GLU  33  14.262  -2.510   4.272
  165    H    GLY  34           HN       GLY  34  16.461  -3.210   1.953
  166    HA2  GLY  34           HA2      GLY  34  18.560  -3.737   2.770
  167    HA3  GLY  34           HA1      GLY  34  17.948  -5.306   3.259
  168    H    GLY  35           HN       GLY  35  20.421  -5.117   2.262
  169    HA2  GLY  35           HA2      GLY  35  20.683  -7.035   0.352
  170    HA3  GLY  35           HA1      GLY  35  20.535  -5.548  -0.573
  171    HA   PRO  36           HA       PRO  36  25.080  -6.079   0.096
  172    HB2  PRO  36           HB2      PRO  36  24.915  -4.074  -2.107
  173    HB3  PRO  36           HB1      PRO  36  25.959  -5.488  -1.951
  174    HG2  PRO  36           HG2      PRO  36  23.872  -5.532  -3.589
  175    HG3  PRO  36           HG1      PRO  36  24.295  -6.958  -2.623
  176    HD2  PRO  36           HD2      PRO  36  22.106  -4.971  -2.217
  177    HD3  PRO  36           HD1      PRO  36  22.104  -6.722  -1.928
  178    H    ALA  37           HN       ALA  37  24.029  -2.896  -1.062
  179    HA   ALA  37           HA       ALA  37  24.076  -1.637   1.483
  180    HB1  ALA  37           HB1      ALA  37  26.009  -0.195   1.206
  181    HB2  ALA  37           HB2      ALA  37  26.395  -0.965  -0.331
  182    HB3  ALA  37           HB3      ALA  37  26.515  -1.885   1.167
  183    H    HIS  38           HN       HIS  38  24.400  -1.296  -2.000
  184    HA   HIS  38           HA       HIS  38  22.978   1.195  -2.103
  185    HB2  HIS  38           HB2      HIS  38  22.992   0.856  -4.554
  186    HB3  HIS  38           HB1      HIS  38  24.592   0.666  -3.855
  187    HD1  HIS  38           HD1      HIS  38  25.800  -1.452  -4.388
  188    HD2  HIS  38           HD2      HIS  38  21.748  -1.685  -5.276
  189    HE1  HIS  38           HE1      HIS  38  25.488  -3.665  -5.530
  190    HE2  HIS  38           HE2      HIS  38  23.006  -3.858  -5.905
  191    H    ALA  39           HN       ALA  39  21.736  -1.251  -0.836
  192    HA   ALA  39           HA       ALA  39  19.283  -1.331  -2.453
  193    HB1  ALA  39           HB1      ALA  39  20.520  -3.420  -2.714
  194    HB2  ALA  39           HB2      ALA  39  18.996  -3.677  -1.865
  195    HB3  ALA  39           HB3      ALA  39  20.512  -3.641  -0.965
  196    H    LYS  40           HN       LYS  40  20.041   0.292  -0.090
  197    HA   LYS  40           HA       LYS  40  18.186  -0.726   1.912
  198    HB2  LYS  40           HB2      LYS  40  20.415   0.540   2.413
  199    HB3  LYS  40           HB1      LYS  40  19.455   1.972   2.075
  200    HG2  LYS  40           HG2      LYS  40  19.435   1.654   4.416
  201    HG3  LYS  40           HG1      LYS  40  17.837   1.234   3.800
  202    HD2  LYS  40           HD2      LYS  40  18.395  -1.135   3.919
  203    HD3  LYS  40           HD1      LYS  40  20.014  -0.735   4.497
  204    HE2  LYS  40           HE2      LYS  40  19.072   0.297   6.484
  205    HE3  LYS  40           HE1      LYS  40  17.441  -0.019   5.900
  206    HZ1  LYS  40           HZ1      LYS  40  18.123  -1.647   7.540
  207    HZ2  LYS  40           HZ2      LYS  40  19.457  -2.084   6.598
  208    HZ3  LYS  40           HZ3      LYS  40  17.894  -2.388   6.040
  209    H    ARG  41           HN       ARG  41  17.639   0.352  -0.896
  210    HA   ARG  41           HA       ARG  41  15.549   2.279  -0.276
  211    HB2  ARG  41           HB2      ARG  41  15.937   0.781  -2.873
  212    HB3  ARG  41           HB1      ARG  41  14.962   2.213  -2.613
  213    HG2  ARG  41           HG2      ARG  41  16.966   3.521  -2.168
  214    HG3  ARG  41           HG1      ARG  41  17.963   2.085  -2.413
  215    HD2  ARG  41           HD2      ARG  41  17.171   1.923  -4.715
  216    HD3  ARG  41           HD1      ARG  41  16.148   3.337  -4.472
  217    HE   ARG  41           HE       ARG  41  18.685   4.167  -3.837
  218   HH11  ARG  41          HH11      ARG  41  17.174   2.733  -6.648
  219   HH12  ARG  41          HH12      ARG  41  18.213   3.535  -7.777
  220   HH21  ARG  41          HH21      ARG  41  20.069   5.223  -5.322
  221   HH22  ARG  41          HH22      ARG  41  19.863   4.947  -7.023
  222    H    PHE  42           HN       PHE  42  13.436   1.763  -0.034
  223    HA   PHE  42           HA       PHE  42  12.972  -1.115   0.377
  224    HB2  PHE  42           HB2      PHE  42  11.421   1.086   1.725
  225    HB3  PHE  42           HB1      PHE  42  11.582  -0.597   2.216
  226    HD1  PHE  42           HD1      PHE  42  14.358  -1.157   2.338
  227    HD2  PHE  42           HD2      PHE  42  12.359   2.488   3.251
  228    HE1  PHE  42           HE1      PHE  42  16.219  -0.508   3.822
  229    HE2  PHE  42           HE2      PHE  42  14.200   3.126   4.746
  230    HZ   PHE  42           HZ       PHE  42  16.128   1.626   5.038
  231    H    THR  43           HN       THR  43  11.272  -2.097  -0.491
  232    HA   THR  43           HA       THR  43   9.402  -0.475  -2.089
  233    HB   THR  43           HB       THR  43  10.449  -3.212  -2.853
  234    HG1  THR  43           HG1      THR  43  11.557  -0.729  -3.150
  235   HG21  THR  43          HG21      THR  43   8.899  -1.134  -4.402
  236   HG22  THR  43          HG22      THR  43   8.258  -2.652  -3.774
  237   HG23  THR  43          HG23      THR  43   9.483  -2.671  -5.043
  238    H    PHE  44           HN       PHE  44   7.289  -0.826  -1.447
  239    HA   PHE  44           HA       PHE  44   6.738  -3.290   0.021
  240    HB2  PHE  44           HB2      PHE  44   6.808  -2.016   1.905
  241    HB3  PHE  44           HB1      PHE  44   6.778  -0.514   0.990
  242    HD1  PHE  44           HD2      PHE  44   4.646  -3.236   2.266
  243    HD2  PHE  44           HD1      PHE  44   4.854   0.781   0.904
  244    HE1  PHE  44           HE2      PHE  44   2.350  -2.861   3.030
  245    HE2  PHE  44           HE1      PHE  44   2.558   1.168   1.680
  246    HZ   PHE  44           HZ       PHE  44   1.241  -0.666   2.536
  247    H    GLY  45           HN       GLY  45   4.443  -3.855   0.026
  248    HA2  GLY  45           HA2      GLY  45   2.873  -2.414  -2.014
  249    HA3  GLY  45           HA1      GLY  45   2.961  -4.170  -1.997
  250    H    VAL  46           HN       VAL  46   0.707  -2.160  -1.603
  251    HA   VAL  46           HA       VAL  46  -0.142  -2.919   1.127
  252    HB   VAL  46           HB       VAL  46  -1.770  -1.004  -0.441
  253   HG11  VAL  46          HG11      VAL  46  -0.882  -1.172   2.426
  254   HG12  VAL  46          HG12      VAL  46  -2.474  -1.552   1.765
  255   HG13  VAL  46          HG13      VAL  46  -1.897   0.115   1.777
  256   HG21  VAL  46          HG21      VAL  46  -0.330   0.908   0.193
  257   HG22  VAL  46          HG22      VAL  46   0.366  -0.142  -1.038
  258   HG23  VAL  46          HG23      VAL  46   0.931  -0.244   0.627
  259    H    ARG  47           HN       ARG  47  -2.330  -3.694   1.421
  260    HA   ARG  47           HA       ARG  47  -3.905  -4.185  -0.948
  261    HB2  ARG  47           HB2      ARG  47  -4.332  -6.544  -0.280
  262    HB3  ARG  47           HB1      ARG  47  -2.662  -6.277  -0.759
  263    HG2  ARG  47           HG2      ARG  47  -2.019  -6.174   1.596
  264    HG3  ARG  47           HG1      ARG  47  -3.694  -6.459   2.060
  265    HD2  ARG  47           HD2      ARG  47  -2.751  -8.565   2.210
  266    HD3  ARG  47           HD1      ARG  47  -3.486  -8.582   0.608
  267    HE   ARG  47           HE       ARG  47  -0.866  -7.725   0.281
  268   HH11  ARG  47          HH11      ARG  47  -2.532 -10.581   1.413
  269   HH12  ARG  47          HH12      ARG  47  -1.266 -11.667   0.941
  270   HH21  ARG  47          HH21      ARG  47   0.823  -9.131  -0.313
  271   HH22  ARG  47          HH22      ARG  47   0.646 -10.843  -0.043
  272    H    VAL  48           HN       VAL  48  -6.092  -4.171  -0.471
  273    HA   VAL  48           HA       VAL  48  -6.780  -3.628   2.361
  274    HB   VAL  48           HB       VAL  48  -8.011  -2.299  -0.055
  275   HG11  VAL  48          HG11      VAL  48  -8.394  -1.791   2.890
  276   HG12  VAL  48          HG12      VAL  48  -9.576  -2.496   1.786
  277   HG13  VAL  48          HG13      VAL  48  -9.076  -0.816   1.588
  278   HG21  VAL  48          HG21      VAL  48  -5.662  -1.604   0.418
  279   HG22  VAL  48          HG22      VAL  48  -6.212  -1.045   1.998
  280   HG23  VAL  48          HG23      VAL  48  -6.850  -0.307   0.531
  281    H    ASN  49           HN       ASN  49  -8.981  -4.155   2.965
  282    HA   ASN  49           HA       ASN  49  -9.981  -6.470   1.506
  283    HB2  ASN  49           HB2      ASN  49  -9.700  -6.783   3.891
  284    HB3  ASN  49           HB1      ASN  49 -10.665  -5.351   4.226
  285   HD21  ASN  49          HD21      ASN  49 -10.755  -8.648   3.068
  286   HD22  ASN  49          HD22      ASN  49 -12.450  -8.891   3.322
  287    H    THR  50           HN       THR  50 -10.757  -5.338  -0.198
  288    HA   THR  50           HA       THR  50 -12.895  -3.400   0.134
  289    HB   THR  50           HB       THR  50 -13.232  -3.606  -2.348
  290    HG1  THR  50           HG1      THR  50 -11.344  -5.631  -1.956
  291   HG21  THR  50          HG21      THR  50 -11.140  -2.462  -2.923
  292   HG22  THR  50          HG22      THR  50 -10.444  -2.980  -1.386
  293   HG23  THR  50          HG23      THR  50 -11.820  -1.876  -1.404
  294    H    SER  51           HN       SER  51 -14.695  -4.067   0.975
  295    HA   SER  51           HA       SER  51 -15.501  -6.602   1.466
  296    HB2  SER  51           HB2      SER  51 -16.448  -4.531   2.466
  297    HB3  SER  51           HB1      SER  51 -17.382  -4.283   0.992
  298    HG   SER  51           HG       SER  51 -17.566  -6.518   2.745
  299    H    ASP  52           HN       ASP  52 -16.201  -4.801  -1.484
  300    HA   ASP  52           HA       ASP  52 -18.169  -6.560  -2.482
  301    HB2  ASP  52           HB2      ASP  52 -17.833  -5.432  -4.628
  302    HB3  ASP  52           HB1      ASP  52 -17.966  -4.292  -3.298
  303    H    ARG  53           HN       ARG  53 -14.673  -6.780  -2.509
  304    HA   ARG  53           HA       ARG  53 -14.884  -9.121  -4.285
  305    HB2  ARG  53           HB2      ARG  53 -14.072  -7.208  -5.586
  306    HB3  ARG  53           HB1      ARG  53 -12.782  -6.954  -4.423
  307    HG2  ARG  53           HG2      ARG  53 -11.798  -9.094  -5.022
  308    HG3  ARG  53           HG1      ARG  53 -13.116  -9.392  -6.158
  309    HD2  ARG  53           HD2      ARG  53 -12.471  -7.411  -7.430
  310    HD3  ARG  53           HD1      ARG  53 -11.162  -7.102  -6.294
  311    HE   ARG  53           HE       ARG  53 -10.833  -9.687  -7.307
  312   HH11  ARG  53          HH11      ARG  53 -10.751  -6.377  -8.435
  313   HH12  ARG  53          HH12      ARG  53  -9.588  -6.694  -9.684
  314   HH21  ARG  53          HH21      ARG  53  -9.292 -10.114  -8.942
  315   HH22  ARG  53          HH22      ARG  53  -8.756  -8.823  -9.970
  316    H    GLY  54           HN       GLY  54 -12.994  -7.399  -1.863
  317    HA2  GLY  54           HA2      GLY  54 -12.239  -8.772   0.052
  318    HA3  GLY  54           HA1      GLY  54 -11.685  -9.924  -1.140
  319    H    TRP  55           HN       TRP  55  -9.591  -9.832  -0.301
  320    HA   TRP  55           HA       TRP  55  -7.962  -7.630  -0.042
  321    HB2  TRP  55           HB2      TRP  55  -7.449 -10.462  -0.809
  322    HB3  TRP  55           HB1      TRP  55  -6.147  -9.303  -1.021
  323    HD1  TRP  55           HD1      TRP  55  -6.815 -11.792   1.282
  324    HE1  TRP  55           HE1      TRP  55  -6.119 -11.223   3.694
  325    HE3  TRP  55           HE3      TRP  55  -6.454  -6.719   0.848
  326    HZ2  TRP  55           HZ2      TRP  55  -5.486  -8.918   5.195
  327    HZ3  TRP  55           HZ3      TRP  55  -5.793  -5.413   2.819
  328    HH2  TRP  55           HH2      TRP  55  -5.328  -6.484   4.949
  329    H    THR  56           HN       THR  56  -7.466  -6.050  -1.358
  330    HA   THR  56           HA       THR  56  -7.897  -6.079  -4.158
  331    HB   THR  56           HB       THR  56  -6.671  -3.926  -4.163
  332    HG1  THR  56           HG1      THR  56  -5.160  -3.903  -2.648
  333   HG21  THR  56          HG21      THR  56  -9.047  -3.952  -3.595
  334   HG22  THR  56          HG22      THR  56  -8.194  -2.695  -2.697
  335   HG23  THR  56          HG23      THR  56  -8.645  -4.201  -1.896
  336    H    ASP  57           HN       ASP  57  -6.279  -5.927  -5.849
  337    HA   ASP  57           HA       ASP  57  -4.092  -7.675  -5.568
  338    HB2  ASP  57           HB2      ASP  57  -3.309  -6.803  -7.738
  339    HB3  ASP  57           HB1      ASP  57  -5.016  -7.212  -7.771
  340    H    GLU  58           HN       GLU  58  -2.146  -7.394  -4.800
  341    HA   GLU  58           HA       GLU  58  -1.723  -5.287  -3.034
  342    HB2  GLU  58           HB2      GLU  58  -0.814  -7.490  -2.681
  343    HB3  GLU  58           HB1      GLU  58   0.220  -7.335  -4.089
  344    HG2  GLU  58           HG2      GLU  58   1.530  -5.661  -3.013
  345    HG3  GLU  58           HG1      GLU  58   0.399  -5.568  -1.663
  346    H    CYS  59           HN       CYS  59  -1.080  -3.352  -3.323
  347    HA   CYS  59           HA       CYS  59  -0.033  -2.549  -5.931
  348    HB2  CYS  59           HB2      CYS  59  -1.011  -0.825  -3.646
  349    HB3  CYS  59           HB1      CYS  59  -0.693  -0.298  -5.297
  350    HG   CYS  59           HG       CYS  59  -2.909  -2.795  -5.112
  351    H    ILE  60           HN       ILE  60   2.111  -2.802  -5.991
  352    HA   ILE  60           HA       ILE  60   3.809  -2.242  -3.754
  353    HB   ILE  60           HB       ILE  60   4.210  -3.157  -6.573
  354   HG12  ILE  60          HG12      ILE  60   5.337  -5.017  -5.496
  355   HG13  ILE  60          HG11      ILE  60   5.206  -4.234  -3.929
  356   HG21  ILE  60          HG21      ILE  60   6.445  -2.206  -4.797
  357   HG22  ILE  60          HG22      ILE  60   5.939  -1.487  -6.326
  358   HG23  ILE  60          HG23      ILE  60   6.643  -3.104  -6.302
  359   HD11  ILE  60          HD11      ILE  60   3.570  -5.971  -4.115
  360   HD12  ILE  60          HD12      ILE  60   2.963  -5.292  -5.625
  361   HD13  ILE  60          HD13      ILE  60   2.755  -4.407  -4.113
  362    H    GLY  61           HN       GLY  61   4.713  -0.399  -3.235
  363    HA2  GLY  61           HA2      GLY  61   4.340   1.944  -4.899
  364    HA3  GLY  61           HA1      GLY  61   5.030   1.905  -3.281
  365    H    GLU  62           HN       GLU  62   6.544   3.447  -4.351
  366    HA   GLU  62           HA       GLU  62   8.450   2.264  -6.191
  367    HB2  GLU  62           HB2      GLU  62   8.338   5.012  -4.934
  368    HB3  GLU  62           HB1      GLU  62   9.521   4.503  -6.131
  369    HG2  GLU  62           HG2      GLU  62   7.626   4.060  -7.693
  370    HG3  GLU  62           HG1      GLU  62   6.555   4.800  -6.504
  371    HA   PRO  63           HA       PRO  63  11.529   1.178  -3.101
  372    HB2  PRO  63           HB2      PRO  63  13.449   2.164  -5.142
  373    HB3  PRO  63           HB1      PRO  63  13.381   0.595  -4.330
  374    HG2  PRO  63           HG2      PRO  63  12.651   0.853  -6.884
  375    HG3  PRO  63           HG1      PRO  63  11.786  -0.239  -5.788
  376    HD2  PRO  63           HD2      PRO  63  10.996   2.469  -6.781
  377    HD3  PRO  63           HD1      PRO  63   9.994   1.030  -6.501
  378    H    MET  64           HN       MET  64  11.605   2.606  -1.461
  379    HA   MET  64           HA       MET  64  12.390   5.383  -2.056
  380    HB2  MET  64           HB2      MET  64  10.559   4.377   0.125
  381    HB3  MET  64           HB1      MET  64  10.990   6.056  -0.164
  382    HG2  MET  64           HG2      MET  64   9.457   4.276  -2.044
  383    HG3  MET  64           HG1      MET  64   8.789   5.540  -1.024
  384    HE1  MET  64           HE1      MET  64   8.852   8.056  -1.524
  385    HE2  MET  64           HE2      MET  64  10.006   8.805  -2.629
  386    HE3  MET  64           HE3      MET  64  10.582   7.964  -1.191
  387    HA   PRO  65           HA       PRO  65  15.732   4.692   0.703
  388    HB2  PRO  65           HB2      PRO  65  16.475   7.194   1.277
  389    HB3  PRO  65           HB1      PRO  65  16.595   6.548  -0.365
  390    HG2  PRO  65           HG2      PRO  65  14.498   8.325   0.823
  391    HG3  PRO  65           HG1      PRO  65  15.294   8.441  -0.757
  392    HD2  PRO  65           HD2      PRO  65  12.812   7.341  -0.367
  393    HD3  PRO  65           HD1      PRO  65  13.888   6.904  -1.706
  394    H    SER  66           HN       SER  66  12.800   5.487   1.942
  395    HA   SER  66           HA       SER  66  13.725   5.163   4.658
  396    HB2  SER  66           HB2      SER  66  12.086   7.587   3.862
  397    HB3  SER  66           HB1      SER  66  12.546   7.147   5.504
  398    HG   SER  66           HG       SER  66  14.757   7.208   4.038
  399    H    VAL  67           HN       VAL  67  12.173   4.194   5.942
  400    HA   VAL  67           HA       VAL  67  10.356   2.594   4.484
  401    HB   VAL  67           HB       VAL  67   9.634   1.686   6.664
  402   HG11  VAL  67          HG11      VAL  67  12.615   1.951   6.323
  403   HG12  VAL  67          HG12      VAL  67  11.575   0.752   5.553
  404   HG13  VAL  67          HG13      VAL  67  11.799   0.730   7.301
  405   HG21  VAL  67          HG21      VAL  67   9.803   3.759   7.976
  406   HG22  VAL  67          HG22      VAL  67  11.561   3.675   7.857
  407   HG23  VAL  67          HG23      VAL  67  10.674   2.422   8.724
  408    H    LYS  68           HN       LYS  68   9.906   5.560   6.273
  409    HA   LYS  68           HA       LYS  68   7.109   5.286   6.664
  410    HB2  LYS  68           HB2      LYS  68   8.839   7.759   6.576
  411    HB3  LYS  68           HB1      LYS  68   7.160   7.735   7.096
  412    HG2  LYS  68           HG2      LYS  68   7.759   6.195   8.908
  413    HG3  LYS  68           HG1      LYS  68   9.447   6.276   8.399
  414    HD2  LYS  68           HD2      LYS  68   9.433   8.702   8.815
  415    HD3  LYS  68           HD1      LYS  68   7.762   8.584   9.370
  416    HE2  LYS  68           HE2      LYS  68  10.152   7.226  10.609
  417    HE3  LYS  68           HE1      LYS  68   9.307   8.630  11.255
  418    HZ1  LYS  68           HZ1      LYS  68   7.327   7.282  11.513
  419    HZ2  LYS  68           HZ2      LYS  68   8.622   6.586  12.345
  420    HZ3  LYS  68           HZ3      LYS  68   8.122   5.936  10.868
  421    H    LYS  69           HN       LYS  69   9.048   6.772   4.112
  422    HA   LYS  69           HA       LYS  69   6.690   7.765   2.780
  423    HB2  LYS  69           HB2      LYS  69   8.398   8.409   0.974
  424    HB3  LYS  69           HB1      LYS  69   8.444   9.253   2.514
  425    HG2  LYS  69           HG2      LYS  69  10.290   7.854   3.236
  426    HG3  LYS  69           HG1      LYS  69  10.238   6.980   1.706
  427    HD2  LYS  69           HD2      LYS  69  12.008   8.709   1.763
  428    HD3  LYS  69           HD1      LYS  69  10.818   8.991   0.494
  429    HE2  LYS  69           HE2      LYS  69   9.716  10.668   1.853
  430    HE3  LYS  69           HE1      LYS  69  10.812  10.337   3.193
  431    HZ1  LYS  69           HZ1      LYS  69  12.639  11.151   1.898
  432    HZ2  LYS  69           HZ2      LYS  69  11.424  12.322   1.909
  433    HZ3  LYS  69           HZ3      LYS  69  11.657  11.363   0.540
  434    H    ALA  70           HN       ALA  70   8.621   4.909   2.718
  435    HA   ALA  70           HA       ALA  70   8.023   3.972   0.155
  436    HB1  ALA  70           HB1      ALA  70   8.349   2.373   2.698
  437    HB2  ALA  70           HB2      ALA  70   9.657   2.895   1.637
  438    HB3  ALA  70           HB3      ALA  70   8.456   1.741   1.054
  439    H    LYS  71           HN       LYS  71   6.368   3.399   3.230
  440    HA   LYS  71           HA       LYS  71   4.096   2.110   2.399
  441    HB2  LYS  71           HB2      LYS  71   4.653   4.083   4.595
  442    HB3  LYS  71           HB1      LYS  71   3.036   3.443   4.362
  443    HG2  LYS  71           HG2      LYS  71   4.563   2.346   6.084
  444    HG3  LYS  71           HG1      LYS  71   3.654   1.298   4.998
  445    HD2  LYS  71           HD2      LYS  71   5.667   1.022   3.625
  446    HD3  LYS  71           HD1      LYS  71   6.556   2.086   4.715
  447    HE2  LYS  71           HE2      LYS  71   5.303  -0.560   5.442
  448    HE3  LYS  71           HE1      LYS  71   7.023  -0.260   5.198
  449    HZ1  LYS  71           HZ1      LYS  71   5.311   0.894   7.333
  450    HZ2  LYS  71           HZ2      LYS  71   6.920   1.326   7.066
  451    HZ3  LYS  71           HZ3      LYS  71   6.539  -0.253   7.531
  452    H    ASP  72           HN       ASP  72   4.617   5.596   2.738
  453    HA   ASP  72           HA       ASP  72   2.181   6.540   1.888
  454    HB2  ASP  72           HB2      ASP  72   3.865   7.999   2.840
  455    HB3  ASP  72           HB1      ASP  72   4.914   7.750   1.449
  456    H    SER  73           HN       SER  73   5.000   5.756  -0.198
  457    HA   SER  73           HA       SER  73   3.790   6.727  -2.546
  458    HB2  SER  73           HB2      SER  73   5.580   5.558  -3.737
  459    HB3  SER  73           HB1      SER  73   6.220   6.405  -2.328
  460    HG   SER  73           HG       SER  73   5.855   4.201  -1.283
  461    H    ALA  74           HN       ALA  74   3.828   3.506  -1.068
  462    HA   ALA  74           HA       ALA  74   2.495   2.238  -3.255
  463    HB1  ALA  74           HB1      ALA  74   2.568   1.342  -0.376
  464    HB2  ALA  74           HB2      ALA  74   3.866   1.055  -1.540
  465    HB3  ALA  74           HB3      ALA  74   2.272   0.349  -1.805
  466    H    ALA  75           HN       ALA  75   1.451   3.424  -0.104
  467    HA   ALA  75           HA       ALA  75  -1.251   2.852  -0.206
  468    HB1  ALA  75           HB1      ALA  75  -0.110   3.681   1.793
  469    HB2  ALA  75           HB2      ALA  75  -1.566   4.611   1.440
  470    HB3  ALA  75           HB3      ALA  75   0.020   5.277   1.055
  471    H    VAL  76           HN       VAL  76   0.458   5.600  -1.660
  472    HA   VAL  76           HA       VAL  76  -1.928   7.030  -2.280
  473    HB   VAL  76           HB       VAL  76   0.444   7.961  -2.022
  474   HG11  VAL  76          HG11      VAL  76   1.644   8.266  -4.145
  475   HG12  VAL  76          HG12      VAL  76   0.510   7.145  -4.900
  476   HG13  VAL  76          HG13      VAL  76   1.572   6.587  -3.611
  477   HG21  VAL  76          HG21      VAL  76  -1.331   8.887  -4.273
  478   HG22  VAL  76          HG22      VAL  76  -0.078   9.852  -3.493
  479   HG23  VAL  76          HG23      VAL  76  -1.487   9.326  -2.572
  480    H    LEU  77           HN       LEU  77  -0.042   4.604  -3.886
  481    HA   LEU  77           HA       LEU  77  -1.394   4.840  -6.414
  482    HB2  LEU  77           HB2      LEU  77   0.227   2.569  -5.247
  483    HB3  LEU  77           HB1      LEU  77  -0.319   2.674  -6.905
  484    HG   LEU  77           HG       LEU  77   1.612   4.591  -5.605
  485   HD11  LEU  77          HD11      LEU  77   2.114   2.399  -7.613
  486   HD12  LEU  77          HD12      LEU  77   2.554   2.345  -5.907
  487   HD13  LEU  77          HD13      LEU  77   3.309   3.528  -6.975
  488   HD21  LEU  77          HD21      LEU  77   0.696   4.322  -8.466
  489   HD22  LEU  77          HD22      LEU  77   1.971   5.396  -7.895
  490   HD23  LEU  77          HD23      LEU  77   0.309   5.644  -7.365
  491    H    LEU  78           HN       LEU  78  -1.682   2.996  -3.486
  492    HA   LEU  78           HA       LEU  78  -3.751   1.235  -4.208
  493    HB2  LEU  78           HB2      LEU  78  -2.451   0.888  -2.242
  494    HB3  LEU  78           HB1      LEU  78  -2.882   2.461  -1.612
  495    HG   LEU  78           HG       LEU  78  -5.282   1.574  -1.549
  496   HD11  LEU  78          HD11      LEU  78  -3.797  -1.046  -1.664
  497   HD12  LEU  78          HD12      LEU  78  -4.825  -0.408  -2.947
  498   HD13  LEU  78          HD13      LEU  78  -5.523  -0.821  -1.382
  499   HD21  LEU  78          HD21      LEU  78  -4.891   0.636   0.657
  500   HD22  LEU  78          HD22      LEU  78  -3.848   2.037   0.395
  501   HD23  LEU  78          HD23      LEU  78  -3.185   0.409   0.275
  502    H    LEU  79           HN       LEU  79  -3.749   4.506  -2.905
  503    HA   LEU  79           HA       LEU  79  -6.502   4.817  -2.523
  504    HB2  LEU  79           HB2      LEU  79  -4.169   6.582  -2.778
  505    HB3  LEU  79           HB1      LEU  79  -5.695   7.324  -3.208
  506    HG   LEU  79           HG       LEU  79  -6.602   6.871  -1.012
  507   HD11  LEU  79          HD11      LEU  79  -5.579   4.736  -0.541
  508   HD12  LEU  79          HD12      LEU  79  -5.194   5.871   0.753
  509   HD13  LEU  79          HD13      LEU  79  -3.982   5.480  -0.469
  510   HD21  LEU  79          HD21      LEU  79  -3.826   8.026  -0.805
  511   HD22  LEU  79          HD22      LEU  79  -5.153   8.283   0.328
  512   HD23  LEU  79          HD23      LEU  79  -5.268   8.902  -1.318
  513    H    GLU  80           HN       GLU  80  -4.593   4.892  -5.430
  514    HA   GLU  80           HA       GLU  80  -6.551   6.082  -7.122
  515    HB2  GLU  80           HB2      GLU  80  -4.310   4.160  -7.778
  516    HB3  GLU  80           HB1      GLU  80  -5.184   5.166  -8.934
  517    HG2  GLU  80           HG2      GLU  80  -3.630   6.304  -6.634
  518    HG3  GLU  80           HG1      GLU  80  -2.914   5.985  -8.207
  519    H    LEU  81           HN       LEU  81  -5.777   2.826  -6.107
  520    HA   LEU  81           HA       LEU  81  -7.562   1.421  -7.798
  521    HB2  LEU  81           HB2      LEU  81  -5.567   0.575  -6.399
  522    HB3  LEU  81           HB1      LEU  81  -6.690   0.562  -5.064
  523    HG   LEU  81           HG       LEU  81  -7.171  -0.995  -7.588
  524   HD11  LEU  81          HD11      LEU  81  -6.330  -2.946  -6.325
  525   HD12  LEU  81          HD12      LEU  81  -5.797  -1.852  -5.046
  526   HD13  LEU  81          HD13      LEU  81  -5.080  -1.747  -6.653
  527   HD21  LEU  81          HD21      LEU  81  -8.673  -2.298  -6.166
  528   HD22  LEU  81          HD22      LEU  81  -9.137  -0.597  -6.174
  529   HD23  LEU  81          HD23      LEU  81  -8.275  -1.269  -4.791
  530    H    LEU  82           HN       LEU  82  -7.729   2.573  -4.467
  531    HA   LEU  82           HA       LEU  82 -10.391   1.775  -3.975
  532    HB2  LEU  82           HB2      LEU  82  -8.338   3.449  -2.657
  533    HB3  LEU  82           HB1      LEU  82  -9.999   3.712  -2.169
  534    HG   LEU  82           HG       LEU  82 -10.200   1.610  -1.232
  535   HD11  LEU  82          HD11      LEU  82  -7.828   0.729  -2.852
  536   HD12  LEU  82          HD12      LEU  82  -9.508   0.218  -3.043
  537   HD13  LEU  82          HD13      LEU  82  -8.603  -0.244  -1.603
  538   HD21  LEU  82          HD21      LEU  82  -8.267   1.294   0.212
  539   HD22  LEU  82          HD22      LEU  82  -8.655   3.005   0.039
  540   HD23  LEU  82          HD23      LEU  82  -7.301   2.315  -0.853
  541    H    ASN  83           HN       ASN  83  -9.109   4.333  -5.798
  542    HA   ASN  83           HA       ASN  83 -11.424   6.059  -5.536
  543    HB2  ASN  83           HB2      ASN  83  -9.178   7.015  -5.923
  544    HB3  ASN  83           HB1      ASN  83  -9.076   6.151  -7.450
  545   HD21  ASN  83          HD21      ASN  83 -10.020   6.994  -9.233
  546   HD22  ASN  83          HD22      ASN  83 -10.838   8.516  -9.263
  547    H    LYS  84           HN       LYS  84 -10.786   3.199  -6.954
  548    HA   LYS  84           HA       LYS  84 -12.715   3.631  -9.132
  549    HB2  LYS  84           HB2      LYS  84 -10.396   1.695  -8.994
  550    HB3  LYS  84           HB1      LYS  84 -11.617   1.690 -10.260
  551    HG2  LYS  84           HG2      LYS  84 -10.912   3.762 -11.101
  552    HG3  LYS  84           HG1      LYS  84  -9.966   4.112  -9.658
  553    HD2  LYS  84           HD2      LYS  84  -8.371   3.525 -11.270
  554    HD3  LYS  84           HD1      LYS  84  -8.565   2.066 -10.302
  555    HE2  LYS  84           HE2      LYS  84 -10.034   2.545 -12.889
  556    HE3  LYS  84           HE1      LYS  84  -8.472   1.740 -12.806
  557    HZ1  LYS  84           HZ1      LYS  84  -9.504   0.072 -11.340
  558    HZ2  LYS  84           HZ2      LYS  84 -10.211   0.118 -12.872
  559    HZ3  LYS  84           HZ3      LYS  84 -11.006   0.819 -11.561
  560    H    THR  85           HN       THR  85 -13.656   3.192  -6.640
  561    HA   THR  85           HA       THR  85 -14.323   0.328  -6.568
  562    HB   THR  85           HB       THR  85 -14.987   0.840  -4.143
  563    HG1  THR  85           HG1      THR  85 -13.113   2.887  -4.085
  564   HG21  THR  85          HG21      THR  85 -13.017  -0.470  -4.710
  565   HG22  THR  85          HG22      THR  85 -12.665   0.600  -3.354
  566   HG23  THR  85          HG23      THR  85 -12.088   1.005  -4.970
  Start of MODEL   19
    1    H1   ASN  15           HT1      ASN  15  -5.950   5.710   4.057
    2    H2   ASN  15           HT2      ASN  15  -4.661   5.223   5.034
    3    H3   ASN  15           HT3      ASN  15  -5.518   6.628   5.411
    4    HA   ASN  15           HA       ASN  15  -6.576   3.868   5.469
    5    HB2  ASN  15           HB2      ASN  15  -5.026   4.422   7.329
    6    HB3  ASN  15           HB1      ASN  15  -6.033   5.808   7.731
    7   HD21  ASN  15          HD21      ASN  15  -6.585   5.124   9.751
    8   HD22  ASN  15          HD22      ASN  15  -7.595   3.753  10.051
    9    H    ASP  16           HN       ASP  16  -7.269   7.187   5.021
   10    HA   ASP  16           HA       ASP  16  -9.603   7.472   6.580
   11    HB2  ASP  16           HB2      ASP  16  -8.294   9.362   5.728
   12    HB3  ASP  16           HB1      ASP  16  -8.699   8.920   4.078
   13    H    ILE  17           HN       ILE  17  -9.100   6.682   3.165
   14    HA   ILE  17           HA       ILE  17 -11.811   6.491   2.460
   15    HB   ILE  17           HB       ILE  17  -9.362   5.253   1.214
   16   HG12  ILE  17          HG12      ILE  17  -9.968   6.931  -0.594
   17   HG13  ILE  17          HG11      ILE  17 -11.122   7.604   0.547
   18   HG21  ILE  17          HG21      ILE  17 -12.187   5.212   0.154
   19   HG22  ILE  17          HG22      ILE  17 -11.263   3.816   0.708
   20   HG23  ILE  17          HG23      ILE  17 -10.749   4.698  -0.729
   21   HD11  ILE  17          HD11      ILE  17  -8.156   7.430   0.966
   22   HD12  ILE  17          HD12      ILE  17  -9.333   8.126   2.081
   23   HD13  ILE  17          HD13      ILE  17  -9.059   8.874   0.507
   24    H    CYS  18           HN       CYS  18  -9.485   4.001   3.446
   25    HA   CYS  18           HA       CYS  18 -11.189   1.785   3.089
   26    HB2  CYS  18           HB2      CYS  18  -8.749   1.586   3.288
   27    HB3  CYS  18           HB1      CYS  18  -8.835   2.122   4.961
   28    HG   CYS  18           HG       CYS  18 -10.618  -0.207   5.483
   29    H    LEU  19           HN       LEU  19 -10.498   3.837   5.838
   30    HA   LEU  19           HA       LEU  19 -11.969   2.490   7.803
   31    HB2  LEU  19           HB2      LEU  19 -10.299   4.284   8.135
   32    HB3  LEU  19           HB1      LEU  19 -11.453   5.439   7.521
   33    HG   LEU  19           HG       LEU  19 -12.954   4.907   9.418
   34   HD11  LEU  19          HD11      LEU  19 -10.617   3.254  10.362
   35   HD12  LEU  19          HD12      LEU  19 -12.208   2.649   9.896
   36   HD13  LEU  19          HD13      LEU  19 -12.033   3.666  11.326
   37   HD21  LEU  19          HD21      LEU  19 -11.701   6.144  11.054
   38   HD22  LEU  19          HD22      LEU  19 -11.337   6.782   9.451
   39   HD23  LEU  19          HD23      LEU  19 -10.183   5.729  10.264
   40    H    ARG  20           HN       ARG  20 -12.823   5.264   5.778
   41    HA   ARG  20           HA       ARG  20 -15.461   5.594   6.673
   42    HB2  ARG  20           HB2      ARG  20 -14.212   7.276   5.396
   43    HB3  ARG  20           HB1      ARG  20 -14.279   6.253   3.976
   44    HG2  ARG  20           HG2      ARG  20 -16.642   6.507   3.802
   45    HG3  ARG  20           HG1      ARG  20 -16.722   7.331   5.362
   46    HD2  ARG  20           HD2      ARG  20 -16.872   8.901   3.482
   47    HD3  ARG  20           HD1      ARG  20 -15.446   9.192   4.475
   48    HE   ARG  20           HE       ARG  20 -15.454   7.949   1.805
   49   HH11  ARG  20          HH11      ARG  20 -13.739   9.435   4.459
   50   HH12  ARG  20          HH12      ARG  20 -12.297   9.739   3.539
   51   HH21  ARG  20          HH21      ARG  20 -13.570   8.347   0.576
   52   HH22  ARG  20          HH22      ARG  20 -12.219   9.149   1.315
   53    H    LYS  21           HN       LYS  21 -14.094   3.503   4.240
   54    HA   LYS  21           HA       LYS  21 -16.555   2.713   3.034
   55    HB2  LYS  21           HB2      LYS  21 -13.745   1.691   3.012
   56    HB3  LYS  21           HB1      LYS  21 -15.032   0.716   2.316
   57    HG2  LYS  21           HG2      LYS  21 -14.277   3.508   1.493
   58    HG3  LYS  21           HG1      LYS  21 -13.918   2.018   0.612
   59    HD2  LYS  21           HD2      LYS  21 -16.391   1.597   0.531
   60    HD3  LYS  21           HD1      LYS  21 -16.611   3.226   1.174
   61    HE2  LYS  21           HE2      LYS  21 -15.324   4.094  -0.765
   62    HE3  LYS  21           HE1      LYS  21 -15.265   2.460  -1.409
   63    HZ1  LYS  21           HZ1      LYS  21 -17.039   3.685  -2.434
   64    HZ2  LYS  21           HZ2      LYS  21 -17.712   4.061  -0.931
   65    HZ3  LYS  21           HZ3      LYS  21 -17.696   2.461  -1.470
   66    H    ASN  22           HN       ASN  22 -15.476   2.235   6.018
   67    HA   ASN  22           HA       ASN  22 -15.897   0.888   7.748
   68    HB2  ASN  22           HB2      ASN  22 -18.187   0.002   6.001
   69    HB3  ASN  22           HB1      ASN  22 -18.011  -0.319   7.711
   70   HD21  ASN  22          HD21      ASN  22 -16.896   2.258   8.358
   71   HD22  ASN  22          HD22      ASN  22 -18.194   3.396   8.257
   72    H    TRP  23           HN       TRP  23 -14.163  -0.061   5.561
   73    HA   TRP  23           HA       TRP  23 -14.399  -2.950   5.699
   74    HB2  TRP  23           HB2      TRP  23 -12.204  -1.170   4.608
   75    HB3  TRP  23           HB1      TRP  23 -12.241  -2.919   4.464
   76    HD1  TRP  23           HD1      TRP  23 -15.403  -3.056   3.566
   77    HE1  TRP  23           HE1      TRP  23 -15.954  -2.385   1.128
   78    HE3  TRP  23           HE3      TRP  23 -11.234  -0.306   2.528
   79    HZ2  TRP  23           HZ2      TRP  23 -14.747  -0.880  -0.954
   80    HZ3  TRP  23           HZ3      TRP  23 -11.004   0.707   0.309
   81    HH2  TRP  23           HH2      TRP  23 -12.715   0.424  -1.396
   82    HA   PRO  24           HA       PRO  24 -11.586  -3.424   9.176
   83    HB2  PRO  24           HB2      PRO  24 -10.059  -5.517   8.335
   84    HB3  PRO  24           HB1      PRO  24 -11.679  -5.702   9.010
   85    HG2  PRO  24           HG2      PRO  24 -10.797  -5.720   6.168
   86    HG3  PRO  24           HG1      PRO  24 -12.024  -6.714   6.967
   87    HD2  PRO  24           HD2      PRO  24 -12.639  -4.583   5.402
   88    HD3  PRO  24           HD1      PRO  24 -13.647  -5.085   6.770
   89    H    MET  25           HN       MET  25  -9.037  -3.680   9.473
   90    HA   MET  25           HA       MET  25  -8.094  -1.320   8.133
   91    HB2  MET  25           HB2      MET  25  -6.765  -3.035  10.227
   92    HB3  MET  25           HB1      MET  25  -6.225  -1.446   9.708
   93    HG2  MET  25           HG2      MET  25  -8.978  -1.796  10.792
   94    HG3  MET  25           HG1      MET  25  -7.609  -1.729  11.889
   95    HE1  MET  25           HE1      MET  25  -9.937   0.052   9.475
   96    HE2  MET  25           HE2      MET  25  -8.517   0.474   8.515
   97    HE3  MET  25           HE3      MET  25  -9.370   1.721   9.418
   98    HA   PRO  26           HA       PRO  26  -5.954  -3.248   4.822
   99    HB2  PRO  26           HB2      PRO  26  -4.037  -1.275   4.512
  100    HB3  PRO  26           HB1      PRO  26  -5.642  -1.260   3.789
  101    HG2  PRO  26           HG2      PRO  26  -4.651   0.128   6.231
  102    HG3  PRO  26           HG1      PRO  26  -5.819   0.683   5.020
  103    HD2  PRO  26           HD2      PRO  26  -6.577  -0.201   7.440
  104    HD3  PRO  26           HD1      PRO  26  -7.559  -0.487   5.988
  105    H    SER  27           HN       SER  27  -4.039  -4.205   4.260
  106    HA   SER  27           HA       SER  27  -2.261  -4.875   6.470
  107    HB2  SER  27           HB2      SER  27  -3.238  -6.603   4.897
  108    HB3  SER  27           HB1      SER  27  -2.218  -5.921   3.634
  109    HG   SER  27           HG       SER  27  -0.790  -7.268   4.381
  110    H    TYR  28           HN       TYR  28  -0.010  -4.522   6.452
  111    HA   TYR  28           HA       TYR  28   1.098  -3.006   4.245
  112    HB2  TYR  28           HB2      TYR  28   0.939  -2.011   7.088
  113    HB3  TYR  28           HB1      TYR  28   2.216  -1.476   6.006
  114    HD1  TYR  28           HD2      TYR  28  -1.396  -1.338   6.699
  115    HD2  TYR  28           HD1      TYR  28   1.749   0.043   4.187
  116    HE1  TYR  28           HE2      TYR  28  -2.867   0.424   5.817
  117    HE2  TYR  28           HE1      TYR  28   0.287   1.801   3.308
  118    HH   TYR  28           HH       TYR  28  -2.104   2.232   3.046
  119    H    ARG  29           HN       ARG  29   2.836  -4.269   3.698
  120    HA   ARG  29           HA       ARG  29   4.622  -5.206   5.788
  121    HB2  ARG  29           HB2      ARG  29   3.342  -7.073   3.796
  122    HB3  ARG  29           HB1      ARG  29   4.657  -7.500   4.872
  123    HG2  ARG  29           HG2      ARG  29   3.129  -6.971   6.790
  124    HG3  ARG  29           HG1      ARG  29   1.822  -6.828   5.611
  125    HD2  ARG  29           HD2      ARG  29   1.808  -9.052   6.549
  126    HD3  ARG  29           HD1      ARG  29   2.307  -9.136   4.860
  127    HE   ARG  29           HE       ARG  29   4.358  -9.059   6.952
  128   HH11  ARG  29          HH11      ARG  29   2.690 -10.854   4.449
  129   HH12  ARG  29          HH12      ARG  29   3.897 -12.095   4.369
  130   HH21  ARG  29          HH21      ARG  29   5.941 -10.687   6.840
  131   HH22  ARG  29          HH22      ARG  29   5.741 -12.003   5.727
  132    H    CYS  30           HN       CYS  30   6.666  -4.892   5.153
  133    HA   CYS  30           HA       CYS  30   7.286  -3.853   2.599
  134    HB2  CYS  30           HB2      CYS  30   9.097  -4.939   4.760
  135    HB3  CYS  30           HB1      CYS  30   9.656  -4.066   3.338
  136    HG   CYS  30           HG       CYS  30   7.658  -2.773   5.804
  137    H    VAL  31           HN       VAL  31   7.702  -4.854   0.741
  138    HA   VAL  31           HA       VAL  31   7.936  -7.741   0.735
  139    HB   VAL  31           HB       VAL  31   7.803  -7.626  -1.681
  140   HG11  VAL  31          HG11      VAL  31   5.552  -6.686  -1.888
  141   HG12  VAL  31          HG12      VAL  31   5.764  -5.864  -0.342
  142   HG13  VAL  31          HG13      VAL  31   5.734  -7.626  -0.407
  143   HG21  VAL  31          HG21      VAL  31   9.046  -5.587  -2.106
  144   HG22  VAL  31          HG22      VAL  31   7.755  -4.633  -1.376
  145   HG23  VAL  31          HG23      VAL  31   7.459  -5.520  -2.870
  146    H    LYS  32           HN       LYS  32   9.920  -4.933  -0.086
  147    HA   LYS  32           HA       LYS  32  12.275  -6.661   0.102
  148    HB2  LYS  32           HB2      LYS  32  11.696  -6.301  -2.315
  149    HB3  LYS  32           HB1      LYS  32  11.911  -4.581  -2.051
  150    HG2  LYS  32           HG2      LYS  32  14.242  -4.967  -1.413
  151    HG3  LYS  32           HG1      LYS  32  14.030  -6.688  -1.733
  152    HD2  LYS  32           HD2      LYS  32  13.530  -6.203  -4.069
  153    HD3  LYS  32           HD1      LYS  32  13.701  -4.473  -3.755
  154    HE2  LYS  32           HE2      LYS  32  16.033  -4.805  -3.140
  155    HE3  LYS  32           HE1      LYS  32  15.869  -6.540  -3.402
  156    HZ1  LYS  32           HZ1      LYS  32  15.396  -6.100  -5.731
  157    HZ2  LYS  32           HZ2      LYS  32  16.899  -5.464  -5.292
  158    HZ3  LYS  32           HZ3      LYS  32  15.572  -4.437  -5.473
  159    H    GLU  33           HN       GLU  33  13.741  -5.808   1.422
  160    HA   GLU  33           HA       GLU  33  14.154  -2.920   1.479
  161    HB2  GLU  33           HB2      GLU  33  14.083  -2.766   3.886
  162    HB3  GLU  33           HB1      GLU  33  12.557  -3.421   3.317
  163    HG2  GLU  33           HG2      GLU  33  14.805  -5.097   4.413
  164    HG3  GLU  33           HG1      GLU  33  13.458  -4.497   5.373
  165    H    GLY  34           HN       GLY  34  16.248  -2.288   2.170
  166    HA2  GLY  34           HA2      GLY  34  18.466  -2.520   2.680
  167    HA3  GLY  34           HA1      GLY  34  18.075  -4.082   3.379
  168    H    GLY  35           HN       GLY  35  20.245  -4.528   2.480
  169    HA2  GLY  35           HA2      GLY  35  20.330  -6.302   0.454
  170    HA3  GLY  35           HA1      GLY  35  20.483  -4.764  -0.385
  171    HA   PRO  36           HA       PRO  36  24.843  -6.053   0.445
  172    HB2  PRO  36           HB2      PRO  36  25.054  -3.863  -1.583
  173    HB3  PRO  36           HB1      PRO  36  25.916  -5.401  -1.501
  174    HG2  PRO  36           HG2      PRO  36  23.936  -5.088  -3.228
  175    HG3  PRO  36           HG1      PRO  36  24.110  -6.610  -2.333
  176    HD2  PRO  36           HD2      PRO  36  22.187  -4.367  -1.903
  177    HD3  PRO  36           HD1      PRO  36  21.931  -6.116  -1.737
  178    H    ALA  37           HN       ALA  37  23.938  -2.706  -0.302
  179    HA   ALA  37           HA       ALA  37  24.198  -1.673   2.287
  180    HB1  ALA  37           HB1      ALA  37  26.609  -2.152   1.948
  181    HB2  ALA  37           HB2      ALA  37  26.274  -0.433   2.154
  182    HB3  ALA  37           HB3      ALA  37  26.595  -1.079   0.548
  183    H    HIS  38           HN       HIS  38  24.933  -0.906  -1.081
  184    HA   HIS  38           HA       HIS  38  23.802   1.725  -0.933
  185    HB2  HIS  38           HB2      HIS  38  24.229   1.780  -3.390
  186    HB3  HIS  38           HB1      HIS  38  25.648   1.354  -2.443
  187    HD1  HIS  38           HD1      HIS  38  26.793  -0.819  -3.001
  188    HD2  HIS  38           HD2      HIS  38  23.048  -0.476  -4.780
  189    HE1  HIS  38           HE1      HIS  38  26.593  -2.786  -4.546
  190    HE2  HIS  38           HE2      HIS  38  24.378  -2.494  -5.703
  191    H    ALA  39           HN       ALA  39  22.071  -0.706  -0.414
  192    HA   ALA  39           HA       ALA  39  19.968  -0.087  -2.377
  193    HB1  ALA  39           HB1      ALA  39  20.926  -2.279  -2.870
  194    HB2  ALA  39           HB2      ALA  39  19.255  -2.416  -2.322
  195    HB3  ALA  39           HB3      ALA  39  20.578  -2.804  -1.223
  196    H    LYS  40           HN       LYS  40  20.147   1.276  -0.005
  197    HA   LYS  40           HA       LYS  40  18.430   0.029   1.952
  198    HB2  LYS  40           HB2      LYS  40  20.347   1.710   2.398
  199    HB3  LYS  40           HB1      LYS  40  19.159   2.935   1.969
  200    HG2  LYS  40           HG2      LYS  40  19.205   2.714   4.342
  201    HG3  LYS  40           HG1      LYS  40  17.681   2.061   3.744
  202    HD2  LYS  40           HD2      LYS  40  18.524  -0.197   3.964
  203    HD3  LYS  40           HD1      LYS  40  20.108   0.413   4.446
  204    HE2  LYS  40           HE2      LYS  40  19.066   1.460   6.423
  205    HE3  LYS  40           HE1      LYS  40  17.519   0.762   5.949
  206    HZ1  LYS  40           HZ1      LYS  40  18.576  -0.588   7.621
  207    HZ2  LYS  40           HZ2      LYS  40  19.966  -0.750   6.673
  208    HZ3  LYS  40           HZ3      LYS  40  18.512  -1.443   6.164
  209    H    ARG  41           HN       ARG  41  17.563   0.758  -0.871
  210    HA   ARG  41           HA       ARG  41  15.384   2.599  -0.314
  211    HB2  ARG  41           HB2      ARG  41  15.886   1.024  -2.843
  212    HB3  ARG  41           HB1      ARG  41  14.770   2.366  -2.646
  213    HG2  ARG  41           HG2      ARG  41  16.827   3.751  -2.025
  214    HG3  ARG  41           HG1      ARG  41  17.766   2.418  -2.700
  215    HD2  ARG  41           HD2      ARG  41  15.699   4.089  -4.119
  216    HD3  ARG  41           HD1      ARG  41  17.440   4.102  -4.392
  217    HE   ARG  41           HE       ARG  41  16.646   1.509  -4.842
  218   HH11  ARG  41          HH11      ARG  41  15.864   4.655  -6.161
  219   HH12  ARG  41          HH12      ARG  41  15.448   4.037  -7.729
  220   HH21  ARG  41          HH21      ARG  41  16.099   0.688  -6.902
  221   HH22  ARG  41          HH22      ARG  41  15.571   1.776  -8.147
  222    H    PHE  42           HN       PHE  42  13.247   2.027  -0.219
  223    HA   PHE  42           HA       PHE  42  12.858  -0.798   0.477
  224    HB2  PHE  42           HB2      PHE  42  11.370   1.614   1.518
  225    HB3  PHE  42           HB1      PHE  42  11.106  -0.052   2.020
  226    HD1  PHE  42           HD2      PHE  42  13.479   2.761   2.101
  227    HD2  PHE  42           HD1      PHE  42  12.514  -1.100   3.557
  228    HE1  PHE  42           HE2      PHE  42  15.174   3.014   3.866
  229    HE2  PHE  42           HE1      PHE  42  14.203  -0.865   5.342
  230    HZ   PHE  42           HZ       PHE  42  15.622   1.224   5.405
  231    H    THR  43           HN       THR  43  11.272  -1.938  -0.400
  232    HA   THR  43           HA       THR  43   9.314  -0.562  -2.123
  233    HB   THR  43           HB       THR  43  10.469  -3.320  -2.642
  234    HG1  THR  43           HG1      THR  43  11.748  -1.079  -2.924
  235   HG21  THR  43          HG21      THR  43   9.494  -3.014  -4.869
  236   HG22  THR  43          HG22      THR  43   8.880  -1.432  -4.390
  237   HG23  THR  43          HG23      THR  43   8.259  -2.889  -3.615
  238    H    PHE  44           HN       PHE  44   7.178  -1.067  -1.567
  239    HA   PHE  44           HA       PHE  44   6.713  -3.476  -0.016
  240    HB2  PHE  44           HB2      PHE  44   6.755  -2.260   1.898
  241    HB3  PHE  44           HB1      PHE  44   6.770  -0.737   1.021
  242    HD1  PHE  44           HD2      PHE  44   4.571  -3.438   2.220
  243    HD2  PHE  44           HD1      PHE  44   4.879   0.604   0.955
  244    HE1  PHE  44           HE2      PHE  44   2.271  -3.022   2.972
  245    HE2  PHE  44           HE1      PHE  44   2.584   1.027   1.714
  246    HZ   PHE  44           HZ       PHE  44   1.231  -0.795   2.558
  247    H    GLY  45           HN       GLY  45   4.426  -4.068  -0.003
  248    HA2  GLY  45           HA2      GLY  45   2.820  -2.603  -2.007
  249    HA3  GLY  45           HA1      GLY  45   2.890  -4.359  -1.983
  250    H    VAL  46           HN       VAL  46   0.658  -2.322  -1.567
  251    HA   VAL  46           HA       VAL  46  -0.169  -3.040   1.182
  252    HB   VAL  46           HB       VAL  46  -1.777  -1.105  -0.376
  253   HG11  VAL  46          HG11      VAL  46  -1.771   0.067   1.834
  254   HG12  VAL  46          HG12      VAL  46  -0.825  -1.280   2.466
  255   HG13  VAL  46          HG13      VAL  46  -2.451  -1.561   1.843
  256   HG21  VAL  46          HG21      VAL  46   0.961  -0.373   0.622
  257   HG22  VAL  46          HG22      VAL  46  -0.284   0.784   0.155
  258   HG23  VAL  46          HG23      VAL  46   0.384  -0.325  -1.043
  259    H    ARG  47           HN       ARG  47  -2.437  -3.696   1.486
  260    HA   ARG  47           HA       ARG  47  -4.028  -4.081  -0.888
  261    HB2  ARG  47           HB2      ARG  47  -4.628  -6.418  -0.164
  262    HB3  ARG  47           HB1      ARG  47  -2.993  -6.249  -0.788
  263    HG2  ARG  47           HG2      ARG  47  -2.193  -6.148   1.556
  264    HG3  ARG  47           HG1      ARG  47  -3.835  -6.481   2.087
  265    HD2  ARG  47           HD2      ARG  47  -2.660  -8.553   2.080
  266    HD3  ARG  47           HD1      ARG  47  -3.766  -8.568   0.708
  267    HE   ARG  47           HE       ARG  47  -1.004  -7.750   0.225
  268   HH11  ARG  47          HH11      ARG  47  -3.496 -10.185  -0.092
  269   HH12  ARG  47          HH12      ARG  47  -2.616 -11.122  -1.252
  270   HH21  ARG  47          HH21      ARG  47   0.185  -8.995  -1.268
  271   HH22  ARG  47          HH22      ARG  47  -0.515 -10.451  -1.915
  272    H    VAL  48           HN       VAL  48  -6.230  -4.084  -0.422
  273    HA   VAL  48           HA       VAL  48  -6.951  -3.545   2.400
  274    HB   VAL  48           HB       VAL  48  -8.091  -2.209  -0.060
  275   HG11  VAL  48          HG11      VAL  48  -9.323  -0.795   1.547
  276   HG12  VAL  48          HG12      VAL  48  -8.764  -1.842   2.851
  277   HG13  VAL  48          HG13      VAL  48  -9.818  -2.487   1.591
  278   HG21  VAL  48          HG21      VAL  48  -5.815  -1.455   0.647
  279   HG22  VAL  48          HG22      VAL  48  -6.529  -0.959   2.180
  280   HG23  VAL  48          HG23      VAL  48  -7.052  -0.199   0.681
  281    H    ASN  49           HN       ASN  49  -9.181  -4.114   2.965
  282    HA   ASN  49           HA       ASN  49 -10.041  -6.489   1.503
  283    HB2  ASN  49           HB2      ASN  49 -11.014  -5.369   4.144
  284    HB3  ASN  49           HB1      ASN  49 -11.505  -6.905   3.442
  285   HD21  ASN  49          HD21      ASN  49 -10.063  -8.630   3.446
  286   HD22  ASN  49          HD22      ASN  49  -8.664  -8.646   4.461
  287    H    THR  50           HN       THR  50 -10.830  -5.327  -0.262
  288    HA   THR  50           HA       THR  50 -13.027  -3.471   0.045
  289    HB   THR  50           HB       THR  50 -13.380  -3.687  -2.410
  290    HG1  THR  50           HG1      THR  50 -11.323  -5.628  -2.102
  291   HG21  THR  50          HG21      THR  50 -11.898  -1.980  -1.551
  292   HG22  THR  50          HG22      THR  50 -11.240  -2.633  -3.052
  293   HG23  THR  50          HG23      THR  50 -10.558  -3.124  -1.501
  294    H    SER  51           HN       SER  51 -14.863  -4.114   0.840
  295    HA   SER  51           HA       SER  51 -15.701  -6.664   1.285
  296    HB2  SER  51           HB2      SER  51 -16.661  -4.664   2.340
  297    HB3  SER  51           HB1      SER  51 -17.477  -4.261   0.832
  298    HG   SER  51           HG       SER  51 -17.880  -6.789   1.994
  299    H    ASP  52           HN       ASP  52 -16.166  -4.841  -1.701
  300    HA   ASP  52           HA       ASP  52 -18.105  -6.668  -2.733
  301    HB2  ASP  52           HB2      ASP  52 -17.864  -5.357  -4.826
  302    HB3  ASP  52           HB1      ASP  52 -18.235  -4.385  -3.413
  303    H    ARG  53           HN       ARG  53 -14.659  -6.812  -2.603
  304    HA   ARG  53           HA       ARG  53 -14.748  -9.008  -4.557
  305    HB2  ARG  53           HB2      ARG  53 -13.886  -6.703  -5.461
  306    HB3  ARG  53           HB1      ARG  53 -12.426  -7.111  -4.579
  307    HG2  ARG  53           HG2      ARG  53 -13.644  -8.921  -6.645
  308    HG3  ARG  53           HG1      ARG  53 -12.452  -7.683  -7.032
  309    HD2  ARG  53           HD2      ARG  53 -10.883  -8.760  -5.451
  310    HD3  ARG  53           HD1      ARG  53 -12.074 -10.031  -5.175
  311    HE   ARG  53           HE       ARG  53 -11.710  -9.936  -7.900
  312   HH11  ARG  53          HH11      ARG  53  -9.698 -10.559  -5.108
  313   HH12  ARG  53          HH12      ARG  53  -8.581 -11.560  -5.976
  314   HH21  ARG  53          HH21      ARG  53 -10.245 -11.255  -9.045
  315   HH22  ARG  53          HH22      ARG  53  -8.900 -11.971  -8.213
  316    H    GLY  54           HN       GLY  54 -12.971  -7.350  -2.008
  317    HA2  GLY  54           HA2      GLY  54 -12.242  -8.786  -0.135
  318    HA3  GLY  54           HA1      GLY  54 -11.617  -9.876  -1.354
  319    H    TRP  55           HN       TRP  55  -9.567  -9.727  -0.308
  320    HA   TRP  55           HA       TRP  55  -8.004  -7.475  -0.024
  321    HB2  TRP  55           HB2      TRP  55  -7.377 -10.322  -0.690
  322    HB3  TRP  55           HB1      TRP  55  -6.094  -9.127  -0.799
  323    HD1  TRP  55           HD1      TRP  55  -7.106 -11.594   1.507
  324    HE1  TRP  55           HE1      TRP  55  -6.552 -10.989   3.945
  325    HE3  TRP  55           HE3      TRP  55  -6.340  -6.577   0.951
  326    HZ2  TRP  55           HZ2      TRP  55  -5.876  -8.683   5.420
  327    HZ3  TRP  55           HZ3      TRP  55  -5.752  -5.247   2.922
  328    HH2  TRP  55           HH2      TRP  55  -5.527  -6.274   5.116
  329    H    THR  56           HN       THR  56  -7.434  -5.949  -1.366
  330    HA   THR  56           HA       THR  56  -7.849  -6.044  -4.167
  331    HB   THR  56           HB       THR  56  -6.643  -3.867  -4.184
  332    HG1  THR  56           HG1      THR  56  -5.187  -3.869  -2.595
  333   HG21  THR  56          HG21      THR  56  -8.261  -2.646  -2.815
  334   HG22  THR  56          HG22      THR  56  -8.711  -4.146  -2.004
  335   HG23  THR  56          HG23      THR  56  -9.044  -3.939  -3.725
  336    H    ASP  57           HN       ASP  57  -6.239  -5.836  -5.850
  337    HA   ASP  57           HA       ASP  57  -4.053  -7.576  -5.662
  338    HB2  ASP  57           HB2      ASP  57  -3.269  -6.624  -7.780
  339    HB3  ASP  57           HB1      ASP  57  -4.997  -6.925  -7.832
  340    H    GLU  58           HN       GLU  58  -1.990  -7.328  -5.070
  341    HA   GLU  58           HA       GLU  58  -1.538  -5.396  -3.105
  342    HB2  GLU  58           HB2      GLU  58  -0.540  -7.581  -2.992
  343    HB3  GLU  58           HB1      GLU  58   0.419  -7.263  -4.427
  344    HG2  GLU  58           HG2      GLU  58   1.766  -5.708  -3.296
  345    HG3  GLU  58           HG1      GLU  58   0.644  -5.604  -1.940
  346    H    CYS  59           HN       CYS  59  -1.134  -3.423  -3.323
  347    HA   CYS  59           HA       CYS  59  -0.146  -2.330  -5.824
  348    HB2  CYS  59           HB2      CYS  59  -0.971  -0.870  -3.306
  349    HB3  CYS  59           HB1      CYS  59  -0.770  -0.173  -4.913
  350    HG   CYS  59           HG       CYS  59  -2.976  -2.689  -4.814
  351    H    ILE  60           HN       ILE  60   1.994  -2.675  -5.985
  352    HA   ILE  60           HA       ILE  60   3.772  -2.310  -3.759
  353    HB   ILE  60           HB       ILE  60   4.357  -2.779  -6.686
  354   HG12  ILE  60          HG12      ILE  60   3.054  -4.578  -5.474
  355   HG13  ILE  60          HG11      ILE  60   4.584  -5.087  -6.180
  356   HG21  ILE  60          HG21      ILE  60   6.228  -1.767  -5.547
  357   HG22  ILE  60          HG22      ILE  60   6.577  -3.456  -5.914
  358   HG23  ILE  60          HG23      ILE  60   6.131  -2.982  -4.274
  359   HD11  ILE  60          HD11      ILE  60   4.220  -4.339  -3.303
  360   HD12  ILE  60          HD12      ILE  60   5.647  -5.048  -4.052
  361   HD13  ILE  60          HD13      ILE  60   4.160  -5.988  -3.921
  362    H    GLY  61           HN       GLY  61   4.764  -0.482  -3.223
  363    HA2  GLY  61           HA2      GLY  61   4.490   1.877  -4.892
  364    HA3  GLY  61           HA1      GLY  61   5.216   1.804  -3.290
  365    H    GLU  62           HN       GLU  62   6.614   3.288  -4.930
  366    HA   GLU  62           HA       GLU  62   8.506   1.684  -6.428
  367    HB2  GLU  62           HB2      GLU  62   9.467   3.818  -7.107
  368    HB3  GLU  62           HB1      GLU  62   7.731   3.789  -7.389
  369    HG2  GLU  62           HG2      GLU  62   7.426   4.988  -5.252
  370    HG3  GLU  62           HG1      GLU  62   9.177   5.105  -5.139
  371    HA   PRO  63           HA       PRO  63  11.627   1.250  -3.317
  372    HB2  PRO  63           HB2      PRO  63  13.475   2.306  -5.404
  373    HB3  PRO  63           HB1      PRO  63  13.610   0.847  -4.416
  374    HG2  PRO  63           HG2      PRO  63  12.898   0.697  -6.979
  375    HG3  PRO  63           HG1      PRO  63  12.158  -0.356  -5.760
  376    HD2  PRO  63           HD2      PRO  63  11.033   2.042  -7.125
  377    HD3  PRO  63           HD1      PRO  63  10.220   0.565  -6.577
  378    H    MET  64           HN       MET  64  11.510   2.730  -1.749
  379    HA   MET  64           HA       MET  64  12.246   5.516  -2.367
  380    HB2  MET  64           HB2      MET  64  10.344   4.440  -0.281
  381    HB3  MET  64           HB1      MET  64  10.827   6.125  -0.417
  382    HG2  MET  64           HG2      MET  64   9.400   4.560  -2.551
  383    HG3  MET  64           HG1      MET  64   8.642   5.667  -1.416
  384    HE1  MET  64           HE1      MET  64   8.759   8.220  -1.510
  385    HE2  MET  64           HE2      MET  64   9.916   9.131  -2.482
  386    HE3  MET  64           HE3      MET  64  10.485   8.105  -1.166
  387    HA   PRO  65           HA       PRO  65  15.660   4.763   0.279
  388    HB2  PRO  65           HB2      PRO  65  16.437   7.288   0.821
  389    HB3  PRO  65           HB1      PRO  65  16.616   6.560  -0.781
  390    HG2  PRO  65           HG2      PRO  65  14.495   8.420   0.226
  391    HG3  PRO  65           HG1      PRO  65  15.368   8.454  -1.316
  392    HD2  PRO  65           HD2      PRO  65  12.863   7.437  -1.063
  393    HD3  PRO  65           HD1      PRO  65  14.035   6.827  -2.250
  394    H    SER  66           HN       SER  66  12.792   5.445   1.592
  395    HA   SER  66           HA       SER  66  13.792   5.277   4.284
  396    HB2  SER  66           HB2      SER  66  12.106   7.669   3.485
  397    HB3  SER  66           HB1      SER  66  12.646   7.278   5.113
  398    HG   SER  66           HG       SER  66  14.809   7.307   3.665
  399    H    VAL  67           HN       VAL  67  12.241   4.516   5.722
  400    HA   VAL  67           HA       VAL  67  10.471   2.688   4.502
  401    HB   VAL  67           HB       VAL  67  10.669   3.435   7.423
  402   HG11  VAL  67          HG11      VAL  67   9.519   0.974   6.113
  403   HG12  VAL  67          HG12      VAL  67   8.600   2.248   6.915
  404   HG13  VAL  67          HG13      VAL  67   9.699   1.231   7.848
  405   HG21  VAL  67          HG21      VAL  67  12.137   1.486   7.608
  406   HG22  VAL  67          HG22      VAL  67  12.807   2.700   6.518
  407   HG23  VAL  67          HG23      VAL  67  12.043   1.252   5.863
  408    H    LYS  68           HN       LYS  68   9.852   5.725   6.258
  409    HA   LYS  68           HA       LYS  68   7.065   5.357   6.489
  410    HB2  LYS  68           HB2      LYS  68   8.712   7.888   6.450
  411    HB3  LYS  68           HB1      LYS  68   6.998   7.835   6.835
  412    HG2  LYS  68           HG2      LYS  68   7.474   6.387   8.744
  413    HG3  LYS  68           HG1      LYS  68   9.194   6.454   8.360
  414    HD2  LYS  68           HD2      LYS  68   9.182   8.869   8.702
  415    HD3  LYS  68           HD1      LYS  68   7.454   8.817   9.051
  416    HE2  LYS  68           HE2      LYS  68   7.929   7.331  10.969
  417    HE3  LYS  68           HE1      LYS  68   9.652   7.510  10.645
  418    HZ1  LYS  68           HZ1      LYS  68   7.765   9.673  11.389
  419    HZ2  LYS  68           HZ2      LYS  68   9.388   9.913  10.983
  420    HZ3  LYS  68           HZ3      LYS  68   8.985   9.024  12.363
  421    H    LYS  69           HN       LYS  69   9.050   6.884   3.999
  422    HA   LYS  69           HA       LYS  69   6.717   7.766   2.557
  423    HB2  LYS  69           HB2      LYS  69   8.405   8.514   0.838
  424    HB3  LYS  69           HB1      LYS  69   8.526   9.266   2.421
  425    HG2  LYS  69           HG2      LYS  69  10.329   7.672   2.974
  426    HG3  LYS  69           HG1      LYS  69  10.263   7.084   1.315
  427    HD2  LYS  69           HD2      LYS  69  12.049   8.713   1.531
  428    HD3  LYS  69           HD1      LYS  69  10.765   9.368   0.514
  429    HE2  LYS  69           HE2      LYS  69   9.899  10.630   2.427
  430    HE3  LYS  69           HE1      LYS  69  11.179   9.972   3.442
  431    HZ1  LYS  69           HZ1      LYS  69  11.697  12.201   2.655
  432    HZ2  LYS  69           HZ2      LYS  69  11.589  11.684   1.049
  433    HZ3  LYS  69           HZ3      LYS  69  12.805  11.077   2.054
  434    H    ALA  70           HN       ALA  70   8.800   5.012   2.616
  435    HA   ALA  70           HA       ALA  70   8.196   3.893   0.131
  436    HB1  ALA  70           HB1      ALA  70   8.602   2.456   2.753
  437    HB2  ALA  70           HB2      ALA  70   9.886   2.977   1.659
  438    HB3  ALA  70           HB3      ALA  70   8.729   1.746   1.143
  439    H    LYS  71           HN       LYS  71   6.590   3.305   3.271
  440    HA   LYS  71           HA       LYS  71   4.388   1.876   2.422
  441    HB2  LYS  71           HB2      LYS  71   4.486   3.957   4.620
  442    HB3  LYS  71           HB1      LYS  71   3.300   2.669   4.468
  443    HG2  LYS  71           HG2      LYS  71   4.878   1.007   4.984
  444    HG3  LYS  71           HG1      LYS  71   6.234   2.111   4.750
  445    HD2  LYS  71           HD2      LYS  71   5.884   1.758   7.114
  446    HD3  LYS  71           HD1      LYS  71   5.459   3.418   6.702
  447    HE2  LYS  71           HE2      LYS  71   3.091   2.792   6.652
  448    HE3  LYS  71           HE1      LYS  71   3.520   1.135   7.074
  449    HZ1  LYS  71           HZ1      LYS  71   4.470   1.991   9.157
  450    HZ2  LYS  71           HZ2      LYS  71   2.820   2.330   9.026
  451    HZ3  LYS  71           HZ3      LYS  71   3.954   3.550   8.751
  452    H    ASP  72           HN       ASP  72   4.691   5.368   2.904
  453    HA   ASP  72           HA       ASP  72   2.178   6.153   2.095
  454    HB2  ASP  72           HB2      ASP  72   3.760   7.652   3.189
  455    HB3  ASP  72           HB1      ASP  72   4.787   7.635   1.760
  456    H    SER  73           HN       SER  73   5.057   5.630   0.033
  457    HA   SER  73           HA       SER  73   3.929   6.655  -2.315
  458    HB2  SER  73           HB2      SER  73   6.362   6.169  -1.934
  459    HB3  SER  73           HB1      SER  73   5.993   4.452  -2.103
  460    HG   SER  73           HG       SER  73   5.855   6.505  -4.033
  461    H    ALA  74           HN       ALA  74   3.924   3.373  -0.960
  462    HA   ALA  74           HA       ALA  74   2.572   2.220  -3.197
  463    HB1  ALA  74           HB1      ALA  74   2.699   1.208  -0.359
  464    HB2  ALA  74           HB2      ALA  74   3.933   0.920  -1.589
  465    HB3  ALA  74           HB3      ALA  74   2.306   0.272  -1.802
  466    H    ALA  75           HN       ALA  75   1.565   3.394  -0.029
  467    HA   ALA  75           HA       ALA  75  -1.133   2.778  -0.121
  468    HB1  ALA  75           HB1      ALA  75   0.047   3.536   1.886
  469    HB2  ALA  75           HB2      ALA  75  -1.429   4.457   1.597
  470    HB3  ALA  75           HB3      ALA  75   0.141   5.162   1.210
  471    H    VAL  76           HN       VAL  76   0.541   5.615  -1.496
  472    HA   VAL  76           HA       VAL  76  -1.844   7.039  -2.067
  473    HB   VAL  76           HB       VAL  76   0.547   7.958  -1.934
  474   HG11  VAL  76          HG11      VAL  76   1.580   6.532  -3.560
  475   HG12  VAL  76          HG12      VAL  76   1.664   8.208  -4.104
  476   HG13  VAL  76          HG13      VAL  76   0.477   7.106  -4.806
  477   HG21  VAL  76          HG21      VAL  76  -0.020   9.825  -3.417
  478   HG22  VAL  76          HG22      VAL  76  -1.394   9.330  -2.427
  479   HG23  VAL  76          HG23      VAL  76  -1.315   8.858  -4.125
  480    H    LEU  77           HN       LEU  77  -0.006   4.630  -3.761
  481    HA   LEU  77           HA       LEU  77  -1.418   4.898  -6.254
  482    HB2  LEU  77           HB2      LEU  77   0.265   2.637  -5.159
  483    HB3  LEU  77           HB1      LEU  77  -0.330   2.746  -6.799
  484    HG   LEU  77           HG       LEU  77   1.605   4.682  -5.533
  485   HD11  LEU  77          HD11      LEU  77   3.252   3.663  -7.027
  486   HD12  LEU  77          HD12      LEU  77   2.050   2.481  -7.539
  487   HD13  LEU  77          HD13      LEU  77   2.613   2.499  -5.868
  488   HD21  LEU  77          HD21      LEU  77   1.889   5.505  -7.835
  489   HD22  LEU  77          HD22      LEU  77   0.252   5.756  -7.231
  490   HD23  LEU  77          HD23      LEU  77   0.584   4.442  -8.361
  491    H    LEU  78           HN       LEU  78  -1.639   3.075  -3.327
  492    HA   LEU  78           HA       LEU  78  -3.675   1.272  -4.044
  493    HB2  LEU  78           HB2      LEU  78  -2.395   0.871  -2.097
  494    HB3  LEU  78           HB1      LEU  78  -2.758   2.455  -1.450
  495    HG   LEU  78           HG       LEU  78  -5.195   1.652  -1.376
  496   HD11  LEU  78          HD11      LEU  78  -3.788  -1.012  -1.493
  497   HD12  LEU  78          HD12      LEU  78  -4.835  -0.352  -2.750
  498   HD13  LEU  78          HD13      LEU  78  -5.499  -0.740  -1.163
  499   HD21  LEU  78          HD21      LEU  78  -3.135   0.427   0.452
  500   HD22  LEU  78          HD22      LEU  78  -4.832   0.719   0.835
  501   HD23  LEU  78          HD23      LEU  78  -3.739   2.079   0.562
  502    H    LEU  79           HN       LEU  79  -3.740   4.514  -2.595
  503    HA   LEU  79           HA       LEU  79  -6.487   4.715  -2.150
  504    HB2  LEU  79           HB2      LEU  79  -4.218   6.574  -2.421
  505    HB3  LEU  79           HB1      LEU  79  -5.794   7.270  -2.724
  506    HG   LEU  79           HG       LEU  79  -6.547   6.710  -0.507
  507   HD11  LEU  79          HD11      LEU  79  -5.451   4.558  -0.239
  508   HD12  LEU  79          HD12      LEU  79  -5.076   5.616   1.121
  509   HD13  LEU  79          HD13      LEU  79  -3.878   5.352  -0.148
  510   HD21  LEU  79          HD21      LEU  79  -4.987   8.044   0.829
  511   HD22  LEU  79          HD22      LEU  79  -5.283   8.773  -0.748
  512   HD23  LEU  79          HD23      LEU  79  -3.779   7.903  -0.448
  513    H    GLU  80           HN       GLU  80  -4.629   5.081  -5.075
  514    HA   GLU  80           HA       GLU  80  -6.690   6.288  -6.621
  515    HB2  GLU  80           HB2      GLU  80  -4.301   4.641  -7.469
  516    HB3  GLU  80           HB1      GLU  80  -5.277   5.662  -8.529
  517    HG2  GLU  80           HG2      GLU  80  -3.779   6.685  -6.134
  518    HG3  GLU  80           HG1      GLU  80  -3.124   6.666  -7.763
  519    H    LEU  81           HN       LEU  81  -5.696   2.997  -5.957
  520    HA   LEU  81           HA       LEU  81  -7.414   1.755  -7.867
  521    HB2  LEU  81           HB2      LEU  81  -5.424   0.643  -7.218
  522    HB3  LEU  81           HB1      LEU  81  -5.804   0.795  -5.529
  523    HG   LEU  81           HG       LEU  81  -7.773  -0.671  -6.008
  524   HD11  LEU  81          HD11      LEU  81  -7.787  -0.454  -8.426
  525   HD12  LEU  81          HD12      LEU  81  -7.624  -2.142  -7.941
  526   HD13  LEU  81          HD13      LEU  81  -6.214  -1.246  -8.506
  527   HD21  LEU  81          HD21      LEU  81  -5.850  -1.452  -4.782
  528   HD22  LEU  81          HD22      LEU  81  -5.003  -1.791  -6.290
  529   HD23  LEU  81          HD23      LEU  81  -6.434  -2.723  -5.856
  530    H    LEU  82           HN       LEU  82  -7.390   2.310  -4.447
  531    HA   LEU  82           HA       LEU  82  -9.690   0.962  -3.689
  532    HB2  LEU  82           HB2      LEU  82  -7.632   2.098  -2.445
  533    HB3  LEU  82           HB1      LEU  82  -8.789   3.402  -2.262
  534    HG   LEU  82           HG       LEU  82 -10.330   1.886  -1.186
  535   HD11  LEU  82          HD11      LEU  82  -8.144  -0.105  -1.659
  536   HD12  LEU  82          HD12      LEU  82  -9.819  -0.178  -2.205
  537   HD13  LEU  82          HD13      LEU  82  -9.441  -0.365  -0.494
  538   HD21  LEU  82          HD21      LEU  82  -8.776   3.156   0.196
  539   HD22  LEU  82          HD22      LEU  82  -7.576   1.873   0.038
  540   HD23  LEU  82          HD23      LEU  82  -9.080   1.571   0.908
  541    H    ASN  83           HN       ASN  83  -9.102   4.280  -4.591
  542    HA   ASN  83           HA       ASN  83 -11.775   5.231  -4.342
  543    HB2  ASN  83           HB2      ASN  83  -9.742   6.679  -4.533
  544    HB3  ASN  83           HB1      ASN  83  -9.619   6.221  -6.224
  545   HD21  ASN  83          HD21      ASN  83  -9.881   8.258  -7.008
  546   HD22  ASN  83          HD22      ASN  83 -11.376   9.125  -6.918
  547    H    LYS  84           HN       LYS  84 -10.616   2.877  -6.175
  548    HA   LYS  84           HA       LYS  84 -11.003   1.788  -8.045
  549    HB2  LYS  84           HB2      LYS  84 -13.571   3.060  -7.403
  550    HB3  LYS  84           HB1      LYS  84 -13.435   2.298  -8.990
  551    HG2  LYS  84           HG2      LYS  84 -12.748   0.215  -7.925
  552    HG3  LYS  84           HG1      LYS  84 -12.839   0.982  -6.344
  553    HD2  LYS  84           HD2      LYS  84 -15.248   1.294  -6.638
  554    HD3  LYS  84           HD1      LYS  84 -15.151   0.532  -8.231
  555    HE2  LYS  84           HE2      LYS  84 -14.374  -1.535  -7.224
  556    HE3  LYS  84           HE1      LYS  84 -14.366  -0.785  -5.631
  557    HZ1  LYS  84           HZ1      LYS  84 -16.763  -0.528  -5.787
  558    HZ2  LYS  84           HZ2      LYS  84 -16.319  -2.153  -5.947
  559    HZ3  LYS  84           HZ3      LYS  84 -16.767  -1.259  -7.312
  560    H    THR  85           HN       THR  85 -11.483   2.020 -10.469
  561    HA   THR  85           HA       THR  85 -10.069   4.481 -11.195
  562    HB   THR  85           HB       THR  85  -8.409   3.155 -12.454
  563    HG1  THR  85           HG1      THR  85  -9.950   1.273 -12.545
  564   HG21  THR  85          HG21      THR  85  -7.816   3.823 -10.190
  565   HG22  THR  85          HG22      THR  85  -7.191   2.205 -10.502
  566   HG23  THR  85          HG23      THR  85  -8.641   2.414  -9.520
  Start of MODEL   20
    1    H1   ASN  15           HT1      ASN  15  -5.628   6.738   5.550
    2    H2   ASN  15           HT2      ASN  15  -6.032   5.842   4.175
    3    H3   ASN  15           HT3      ASN  15  -4.719   5.375   5.132
    4    HA   ASN  15           HA       ASN  15  -6.571   3.940   5.530
    5    HB2  ASN  15           HB2      ASN  15  -6.805   4.346   8.018
    6    HB3  ASN  15           HB1      ASN  15  -5.157   4.227   7.419
    7   HD21  ASN  15          HD21      ASN  15  -4.304   5.347   9.131
    8   HD22  ASN  15          HD22      ASN  15  -4.532   7.046   9.348
    9    H    ASP  16           HN       ASP  16  -7.445   7.239   5.248
   10    HA   ASP  16           HA       ASP  16  -9.920   7.192   6.631
   11    HB2  ASP  16           HB2      ASP  16  -8.743   9.281   6.047
   12    HB3  ASP  16           HB1      ASP  16  -9.054   8.973   4.343
   13    H    ILE  17           HN       ILE  17  -9.065   6.776   3.227
   14    HA   ILE  17           HA       ILE  17 -11.658   6.555   2.215
   15    HB   ILE  17           HB       ILE  17  -9.063   5.440   1.155
   16   HG12  ILE  17          HG12      ILE  17  -9.442   7.261  -0.555
   17   HG13  ILE  17          HG11      ILE  17 -10.756   7.834   0.454
   18   HG21  ILE  17          HG21      ILE  17 -11.761   5.488  -0.187
   19   HG22  ILE  17          HG22      ILE  17 -10.864   4.054   0.312
   20   HG23  ILE  17          HG23      ILE  17 -10.236   5.084  -0.974
   21   HD11  ILE  17          HD11      ILE  17  -7.884   7.642   1.307
   22   HD12  ILE  17          HD12      ILE  17  -9.227   8.292   2.250
   23   HD13  ILE  17          HD13      ILE  17  -8.705   9.112   0.778
   24    H    CYS  18           HN       CYS  18  -9.443   4.123   3.486
   25    HA   CYS  18           HA       CYS  18 -11.086   1.890   2.820
   26    HB2  CYS  18           HB2      CYS  18  -8.643   1.714   3.165
   27    HB3  CYS  18           HB1      CYS  18  -8.862   2.123   4.862
   28    HG   CYS  18           HG       CYS  18 -10.199  -0.203   5.533
   29    H    LEU  19           HN       LEU  19 -10.566   3.839   5.695
   30    HA   LEU  19           HA       LEU  19 -12.129   2.385   7.510
   31    HB2  LEU  19           HB2      LEU  19 -10.555   4.181   8.095
   32    HB3  LEU  19           HB1      LEU  19 -11.634   5.353   7.382
   33    HG   LEU  19           HG       LEU  19 -13.343   4.793   9.077
   34   HD11  LEU  19          HD11      LEU  19 -12.675   3.474  11.040
   35   HD12  LEU  19          HD12      LEU  19 -11.164   3.059  10.230
   36   HD13  LEU  19          HD13      LEU  19 -12.702   2.510   9.564
   37   HD21  LEU  19          HD21      LEU  19 -12.243   5.910  10.933
   38   HD22  LEU  19          HD22      LEU  19 -11.787   6.659   9.402
   39   HD23  LEU  19          HD23      LEU  19 -10.666   5.572  10.222
   40    H    ARG  20           HN       ARG  20 -12.926   5.265   5.617
   41    HA   ARG  20           HA       ARG  20 -15.599   5.522   6.342
   42    HB2  ARG  20           HB2      ARG  20 -14.166   7.175   5.114
   43    HB3  ARG  20           HB1      ARG  20 -14.410   6.218   3.662
   44    HG2  ARG  20           HG2      ARG  20 -16.855   6.582   3.900
   45    HG3  ARG  20           HG1      ARG  20 -16.513   7.672   5.246
   46    HD2  ARG  20           HD2      ARG  20 -15.660   7.978   2.376
   47    HD3  ARG  20           HD1      ARG  20 -16.789   8.994   3.272
   48    HE   ARG  20           HE       ARG  20 -14.068   8.839   4.291
   49   HH11  ARG  20          HH11      ARG  20 -16.427  10.611   2.427
   50   HH12  ARG  20          HH12      ARG  20 -15.561  12.108   2.512
   51   HH21  ARG  20          HH21      ARG  20 -12.893  10.793   4.380
   52   HH22  ARG  20          HH22      ARG  20 -13.553  12.216   3.628
   53    H    LYS  21           HN       LYS  21 -14.120   3.504   3.891
   54    HA   LYS  21           HA       LYS  21 -16.512   2.836   2.502
   55    HB2  LYS  21           HB2      LYS  21 -13.677   2.019   2.467
   56    HB3  LYS  21           HB1      LYS  21 -14.824   0.819   1.885
   57    HG2  LYS  21           HG2      LYS  21 -14.648   3.641   0.864
   58    HG3  LYS  21           HG1      LYS  21 -13.882   2.242   0.106
   59    HD2  LYS  21           HD2      LYS  21 -16.110   1.179  -0.079
   60    HD3  LYS  21           HD1      LYS  21 -16.821   2.662   0.561
   61    HE2  LYS  21           HE2      LYS  21 -15.976   3.910  -1.336
   62    HE3  LYS  21           HE1      LYS  21 -15.152   2.482  -1.940
   63    HZ1  LYS  21           HZ1      LYS  21 -17.303   1.422  -2.244
   64    HZ2  LYS  21           HZ2      LYS  21 -17.204   2.861  -3.124
   65    HZ3  LYS  21           HZ3      LYS  21 -18.088   2.811  -1.686
   66    H    ASN  22           HN       ASN  22 -15.742   2.174   5.498
   67    HA   ASN  22           HA       ASN  22 -16.450   0.747   7.100
   68    HB2  ASN  22           HB2      ASN  22 -18.617   1.116   5.810
   69    HB3  ASN  22           HB1      ASN  22 -18.310  -0.434   5.040
   70   HD21  ASN  22          HD21      ASN  22 -19.093   1.188   8.015
   71   HD22  ASN  22          HD22      ASN  22 -19.652  -0.213   8.864
   72    H    TRP  23           HN       TRP  23 -14.193   0.079   5.590
   73    HA   TRP  23           HA       TRP  23 -14.288  -2.859   5.512
   74    HB2  TRP  23           HB2      TRP  23 -12.163  -0.938   4.531
   75    HB3  TRP  23           HB1      TRP  23 -12.082  -2.685   4.399
   76    HD1  TRP  23           HD1      TRP  23 -15.199  -2.975   3.324
   77    HE1  TRP  23           HE1      TRP  23 -15.626  -2.352   0.846
   78    HE3  TRP  23           HE3      TRP  23 -11.084  -0.099   2.517
   79    HZ2  TRP  23           HZ2      TRP  23 -14.326  -0.832  -1.187
   80    HZ3  TRP  23           HZ3      TRP  23 -10.737   0.899   0.313
   81    HH2  TRP  23           HH2      TRP  23 -12.321   0.541  -1.507
   82    HA   PRO  24           HA       PRO  24 -11.598  -3.015   9.129
   83    HB2  PRO  24           HB2      PRO  24  -9.955  -5.074   8.509
   84    HB3  PRO  24           HB1      PRO  24 -11.632  -5.310   9.009
   85    HG2  PRO  24           HG2      PRO  24 -10.448  -5.333   6.268
   86    HG3  PRO  24           HG1      PRO  24 -11.682  -6.398   6.965
   87    HD2  PRO  24           HD2      PRO  24 -12.267  -4.324   5.309
   88    HD3  PRO  24           HD1      PRO  24 -13.376  -4.894   6.567
   89    H    MET  25           HN       MET  25  -8.954  -3.420   9.413
   90    HA   MET  25           HA       MET  25  -7.833  -1.167   8.013
   91    HB2  MET  25           HB2      MET  25  -6.638  -3.020  10.069
   92    HB3  MET  25           HB1      MET  25  -5.889  -1.544   9.476
   93    HG2  MET  25           HG2      MET  25  -8.602  -1.460  10.705
   94    HG3  MET  25           HG1      MET  25  -7.174  -1.540  11.721
   95    HE1  MET  25           HE1      MET  25  -8.285   0.617   8.409
   96    HE2  MET  25           HE2      MET  25  -8.717   2.052   9.336
   97    HE3  MET  25           HE3      MET  25  -9.533   0.519   9.649
   98    HA   PRO  26           HA       PRO  26  -6.032  -3.527   4.747
   99    HB2  PRO  26           HB2      PRO  26  -4.073  -1.389   4.435
  100    HB3  PRO  26           HB1      PRO  26  -5.347  -1.905   3.336
  101    HG2  PRO  26           HG2      PRO  26  -5.458   0.442   4.660
  102    HG3  PRO  26           HG1      PRO  26  -6.909  -0.495   4.262
  103    HD2  PRO  26           HD2      PRO  26  -5.447  -0.276   6.864
  104    HD3  PRO  26           HD1      PRO  26  -7.193  -0.325   6.545
  105    H    SER  27           HN       SER  27  -3.981  -4.327   3.987
  106    HA   SER  27           HA       SER  27  -2.214  -5.075   6.173
  107    HB2  SER  27           HB2      SER  27  -3.098  -6.734   4.511
  108    HB3  SER  27           HB1      SER  27  -2.138  -5.930   3.277
  109    HG   SER  27           HG       SER  27  -1.195  -7.261   5.602
  110    H    TYR  28           HN       TYR  28  -0.012  -4.602   6.275
  111    HA   TYR  28           HA       TYR  28   1.159  -2.922   4.228
  112    HB2  TYR  28           HB2      TYR  28   0.749  -2.034   7.081
  113    HB3  TYR  28           HB1      TYR  28   2.032  -1.370   6.080
  114    HD1  TYR  28           HD2      TYR  28  -1.582  -1.492   6.648
  115    HD2  TYR  28           HD1      TYR  28   1.524   0.129   4.225
  116    HE1  TYR  28           HE2      TYR  28  -3.150   0.177   5.757
  117    HE2  TYR  28           HE1      TYR  28  -0.033   1.803   3.337
  118    HH   TYR  28           HH       TYR  28  -2.440   2.097   3.042
  119    H    ARG  29           HN       ARG  29   2.990  -4.085   3.792
  120    HA   ARG  29           HA       ARG  29   4.806  -4.709   5.937
  121    HB2  ARG  29           HB2      ARG  29   3.147  -6.612   5.831
  122    HB3  ARG  29           HB1      ARG  29   3.775  -6.954   4.228
  123    HG2  ARG  29           HG2      ARG  29   5.941  -7.445   5.105
  124    HG3  ARG  29           HG1      ARG  29   5.452  -6.926   6.719
  125    HD2  ARG  29           HD2      ARG  29   4.412  -9.292   5.175
  126    HD3  ARG  29           HD1      ARG  29   5.407  -9.328   6.631
  127    HE   ARG  29           HE       ARG  29   2.964  -7.911   7.045
  128   HH11  ARG  29          HH11      ARG  29   4.358 -11.114   6.892
  129   HH12  ARG  29          HH12      ARG  29   3.094 -11.846   7.827
  130   HH21  ARG  29          HH21      ARG  29   1.304  -8.856   8.276
  131   HH22  ARG  29          HH22      ARG  29   1.362 -10.552   8.638
  132    H    CYS  30           HN       CYS  30   6.838  -4.457   5.226
  133    HA   CYS  30           HA       CYS  30   7.343  -3.668   2.561
  134    HB2  CYS  30           HB2      CYS  30   9.782  -3.841   3.320
  135    HB3  CYS  30           HB1      CYS  30   8.745  -2.724   4.201
  136    HG   CYS  30           HG       CYS  30  10.057  -5.679   5.242
  137    H    VAL  31           HN       VAL  31   7.760  -4.817   0.814
  138    HA   VAL  31           HA       VAL  31   7.920  -7.697   1.071
  139    HB   VAL  31           HB       VAL  31   7.670  -7.749  -1.368
  140   HG11  VAL  31          HG11      VAL  31   5.695  -7.749   0.044
  141   HG12  VAL  31          HG12      VAL  31   5.381  -6.863  -1.449
  142   HG13  VAL  31          HG13      VAL  31   5.687  -5.986   0.051
  143   HG21  VAL  31          HG21      VAL  31   7.551  -4.747  -1.183
  144   HG22  VAL  31          HG22      VAL  31   7.175  -5.703  -2.616
  145   HG23  VAL  31          HG23      VAL  31   8.815  -5.694  -1.968
  146    H    LYS  32           HN       LYS  32   9.913  -5.030  -0.059
  147    HA   LYS  32           HA       LYS  32  12.194  -6.872  -0.113
  148    HB2  LYS  32           HB2      LYS  32  11.364  -6.414  -2.445
  149    HB3  LYS  32           HB1      LYS  32  11.744  -4.721  -2.174
  150    HG2  LYS  32           HG2      LYS  32  14.079  -5.241  -1.882
  151    HG3  LYS  32           HG1      LYS  32  13.738  -6.965  -2.040
  152    HD2  LYS  32           HD2      LYS  32  12.938  -6.588  -4.324
  153    HD3  LYS  32           HD1      LYS  32  13.305  -4.868  -4.162
  154    HE2  LYS  32           HE2      LYS  32  15.655  -5.371  -3.860
  155    HE3  LYS  32           HE1      LYS  32  15.315  -7.099  -3.916
  156    HZ1  LYS  32           HZ1      LYS  32  14.838  -5.201  -6.149
  157    HZ2  LYS  32           HZ2      LYS  32  14.603  -6.876  -6.190
  158    HZ3  LYS  32           HZ3      LYS  32  16.162  -6.243  -6.024
  159    H    GLU  33           HN       GLU  33  13.731  -6.187   1.136
  160    HA   GLU  33           HA       GLU  33  14.372  -3.369   1.441
  161    HB2  GLU  33           HB2      GLU  33  12.747  -3.542   3.163
  162    HB3  GLU  33           HB1      GLU  33  13.316  -5.129   3.647
  163    HG2  GLU  33           HG2      GLU  33  15.422  -4.055   4.431
  164    HG3  GLU  33           HG1      GLU  33  14.677  -2.492   4.104
  165    H    GLY  34           HN       GLY  34  16.572  -3.059   1.917
  166    HA2  GLY  34           HA2      GLY  34  18.580  -3.609   2.982
  167    HA3  GLY  34           HA1      GLY  34  17.982  -5.239   3.232
  168    H    GLY  35           HN       GLY  35  20.233  -5.664   2.615
  169    HA2  GLY  35           HA2      GLY  35  20.880  -6.938   0.442
  170    HA3  GLY  35           HA1      GLY  35  20.871  -5.308  -0.223
  171    HA   PRO  36           HA       PRO  36  25.258  -6.077   1.164
  172    HB2  PRO  36           HB2      PRO  36  25.486  -3.861  -0.828
  173    HB3  PRO  36           HB1      PRO  36  26.505  -5.287  -0.618
  174    HG2  PRO  36           HG2      PRO  36  24.771  -5.177  -2.614
  175    HG3  PRO  36           HG1      PRO  36  25.000  -6.684  -1.708
  176    HD2  PRO  36           HD2      PRO  36  22.776  -4.697  -1.550
  177    HD3  PRO  36           HD1      PRO  36  22.714  -6.467  -1.442
  178    H    ALA  37           HN       ALA  37  24.297  -2.812   0.163
  179    HA   ALA  37           HA       ALA  37  23.952  -1.773   2.772
  180    HB1  ALA  37           HB1      ALA  37  26.422  -2.008   2.803
  181    HB2  ALA  37           HB2      ALA  37  25.885  -0.335   2.950
  182    HB3  ALA  37           HB3      ALA  37  26.513  -0.926   1.414
  183    H    HIS  38           HN       HIS  38  24.913  -1.077  -0.548
  184    HA   HIS  38           HA       HIS  38  23.556   1.453  -0.640
  185    HB2  HIS  38           HB2      HIS  38  24.117   1.438  -3.031
  186    HB3  HIS  38           HB1      HIS  38  25.520   1.040  -2.051
  187    HD1  HIS  38           HD1      HIS  38  26.705  -1.100  -2.590
  188    HD2  HIS  38           HD2      HIS  38  22.958  -0.883  -4.376
  189    HE1  HIS  38           HE1      HIS  38  26.547  -3.120  -4.078
  190    HE2  HIS  38           HE2      HIS  38  24.339  -2.876  -5.274
  191    H    ALA  39           HN       ALA  39  22.063  -1.126  -0.027
  192    HA   ALA  39           HA       ALA  39  20.016  -0.880  -2.128
  193    HB1  ALA  39           HB1      ALA  39  21.217  -2.993  -2.354
  194    HB2  ALA  39           HB2      ALA  39  19.539  -3.259  -1.880
  195    HB3  ALA  39           HB3      ALA  39  20.826  -3.395  -0.682
  196    H    LYS  40           HN       LYS  40  20.131   0.606   0.277
  197    HA   LYS  40           HA       LYS  40  18.252  -0.601   2.093
  198    HB2  LYS  40           HB2      LYS  40  20.195   1.515   2.138
  199    HB3  LYS  40           HB1      LYS  40  18.681   2.024   2.832
  200    HG2  LYS  40           HG2      LYS  40  20.235  -0.416   3.655
  201    HG3  LYS  40           HG1      LYS  40  20.242   1.126   4.500
  202    HD2  LYS  40           HD2      LYS  40  17.804   0.903   4.848
  203    HD3  LYS  40           HD1      LYS  40  17.880  -0.698   4.112
  204    HE2  LYS  40           HE2      LYS  40  19.361  -1.472   5.857
  205    HE3  LYS  40           HE1      LYS  40  19.432   0.144   6.555
  206    HZ1  LYS  40           HZ1      LYS  40  17.909  -1.251   7.781
  207    HZ2  LYS  40           HZ2      LYS  40  17.013  -1.571   6.387
  208    HZ3  LYS  40           HZ3      LYS  40  17.054  -0.006   7.021
  209    H    ARG  41           HN       ARG  41  17.709   0.345  -0.761
  210    HA   ARG  41           HA       ARG  41  15.567   2.244  -0.336
  211    HB2  ARG  41           HB2      ARG  41  15.055   1.373  -2.803
  212    HB3  ARG  41           HB1      ARG  41  16.307   2.564  -2.487
  213    HG2  ARG  41           HG2      ARG  41  18.013   0.863  -2.580
  214    HG3  ARG  41           HG1      ARG  41  16.792  -0.402  -2.718
  215    HD2  ARG  41           HD2      ARG  41  17.031   1.820  -4.725
  216    HD3  ARG  41           HD1      ARG  41  17.974   0.337  -4.855
  217    HE   ARG  41           HE       ARG  41  15.312  -0.403  -4.538
  218   HH11  ARG  41          HH11      ARG  41  17.255   1.343  -6.861
  219   HH12  ARG  41          HH12      ARG  41  16.310   0.842  -8.226
  220   HH21  ARG  41          HH21      ARG  41  14.071  -1.094  -6.345
  221   HH22  ARG  41          HH22      ARG  41  14.502  -0.549  -7.935
  222    H    PHE  42           HN       PHE  42  13.456   1.741  -0.157
  223    HA   PHE  42           HA       PHE  42  12.961  -1.099   0.415
  224    HB2  PHE  42           HB2      PHE  42  11.456   1.242   1.580
  225    HB3  PHE  42           HB1      PHE  42  11.454  -0.426   2.138
  226    HD1  PHE  42           HD1      PHE  42  13.995  -1.286   2.664
  227    HD2  PHE  42           HD2      PHE  42  12.590   2.720   2.885
  228    HE1  PHE  42           HE1      PHE  42  15.789  -0.748   4.256
  229    HE2  PHE  42           HE2      PHE  42  14.383   3.265   4.476
  230    HZ   PHE  42           HZ       PHE  42  15.981   1.533   5.166
  231    H    THR  43           HN       THR  43  11.312  -2.111  -0.459
  232    HA   THR  43           HA       THR  43   9.392  -0.573  -2.073
  233    HB   THR  43           HB       THR  43  10.426  -3.359  -2.682
  234    HG1  THR  43           HG1      THR  43  11.038  -1.487  -4.544
  235   HG21  THR  43          HG21      THR  43   9.290  -3.066  -4.819
  236   HG22  THR  43          HG22      THR  43   8.746  -1.463  -4.325
  237   HG23  THR  43          HG23      THR  43   8.151  -2.893  -3.484
  238    H    PHE  44           HN       PHE  44   7.223  -1.035  -1.552
  239    HA   PHE  44           HA       PHE  44   6.731  -3.361   0.122
  240    HB2  PHE  44           HB2      PHE  44   6.803  -1.981   1.932
  241    HB3  PHE  44           HB1      PHE  44   6.710  -0.530   0.944
  242    HD1  PHE  44           HD2      PHE  44   4.595  -3.314   2.199
  243    HD2  PHE  44           HD1      PHE  44   4.834   0.756   1.017
  244    HE1  PHE  44           HE2      PHE  44   2.256  -2.992   2.854
  245    HE2  PHE  44           HE1      PHE  44   2.500   1.087   1.691
  246    HZ   PHE  44           HZ       PHE  44   1.210  -0.788   2.616
  247    H    GLY  45           HN       GLY  45   4.480  -4.002   0.097
  248    HA2  GLY  45           HA2      GLY  45   2.896  -2.697  -2.023
  249    HA3  GLY  45           HA1      GLY  45   3.010  -4.447  -1.893
  250    H    VAL  46           HN       VAL  46   0.764  -2.356  -1.589
  251    HA   VAL  46           HA       VAL  46  -0.132  -3.047   1.143
  252    HB   VAL  46           HB       VAL  46  -1.701  -1.131  -0.479
  253   HG11  VAL  46          HG11      VAL  46  -2.425  -1.566   1.725
  254   HG12  VAL  46          HG12      VAL  46  -1.746   0.063   1.721
  255   HG13  VAL  46          HG13      VAL  46  -0.816  -1.278   2.385
  256   HG21  VAL  46          HG21      VAL  46  -0.223   0.764   0.071
  257   HG22  VAL  46          HG22      VAL  46   0.474  -0.355  -1.099
  258   HG23  VAL  46          HG23      VAL  46   1.012  -0.386   0.579
  259    H    ARG  47           HN       ARG  47  -2.367  -3.779   1.386
  260    HA   ARG  47           HA       ARG  47  -3.920  -4.084  -1.014
  261    HB2  ARG  47           HB2      ARG  47  -4.501  -6.465  -0.419
  262    HB3  ARG  47           HB1      ARG  47  -2.884  -6.229  -1.062
  263    HG2  ARG  47           HG2      ARG  47  -2.058  -6.263   1.313
  264    HG3  ARG  47           HG1      ARG  47  -3.685  -6.747   1.786
  265    HD2  ARG  47           HD2      ARG  47  -3.539  -8.704   0.347
  266    HD3  ARG  47           HD1      ARG  47  -1.928  -8.216  -0.174
  267    HE   ARG  47           HE       ARG  47  -2.360  -8.687   2.677
  268   HH11  ARG  47          HH11      ARG  47  -1.039  -9.777  -0.370
  269   HH12  ARG  47          HH12      ARG  47   0.004 -10.955   0.356
  270   HH21  ARG  47          HH21      ARG  47  -1.008 -10.245   3.635
  271   HH22  ARG  47          HH22      ARG  47   0.014 -11.227   2.637
  272    H    VAL  48           HN       VAL  48  -6.125  -4.216  -0.586
  273    HA   VAL  48           HA       VAL  48  -6.874  -3.622   2.213
  274    HB   VAL  48           HB       VAL  48  -7.836  -2.283  -0.317
  275   HG11  VAL  48          HG11      VAL  48  -9.727  -2.667   1.204
  276   HG12  VAL  48          HG12      VAL  48  -9.333  -0.955   1.053
  277   HG13  VAL  48          HG13      VAL  48  -8.839  -1.850   2.489
  278   HG21  VAL  48          HG21      VAL  48  -6.561  -1.098   2.133
  279   HG22  VAL  48          HG22      VAL  48  -6.930  -0.276   0.617
  280   HG23  VAL  48          HG23      VAL  48  -5.682  -1.523   0.665
  281    H    ASN  49           HN       ASN  49  -9.056  -4.217   2.808
  282    HA   ASN  49           HA       ASN  49  -9.958  -6.565   1.323
  283    HB2  ASN  49           HB2      ASN  49  -9.565  -6.663   3.821
  284    HB3  ASN  49           HB1      ASN  49 -10.952  -5.595   4.007
  285   HD21  ASN  49          HD21      ASN  49 -13.022  -6.374   3.531
  286   HD22  ASN  49          HD22      ASN  49 -13.351  -8.067   3.388
  287    H    THR  50           HN       THR  50 -10.800  -5.417  -0.342
  288    HA   THR  50           HA       THR  50 -12.969  -3.539  -0.025
  289    HB   THR  50           HB       THR  50 -13.491  -3.939  -2.452
  290    HG1  THR  50           HG1      THR  50 -11.370  -5.796  -2.126
  291   HG21  THR  50          HG21      THR  50 -11.457  -2.840  -3.274
  292   HG22  THR  50          HG22      THR  50 -10.643  -3.230  -1.759
  293   HG23  THR  50          HG23      THR  50 -12.025  -2.134  -1.760
  294    H    SER  51           HN       SER  51 -14.783  -4.095   0.908
  295    HA   SER  51           HA       SER  51 -15.475  -6.570   1.747
  296    HB2  SER  51           HB2      SER  51 -16.475  -4.405   2.481
  297    HB3  SER  51           HB1      SER  51 -17.486  -4.433   1.041
  298    HG   SER  51           HG       SER  51 -18.420  -6.358   1.793
  299    H    ASP  52           HN       ASP  52 -16.591  -5.100  -1.287
  300    HA   ASP  52           HA       ASP  52 -18.292  -7.343  -1.872
  301    HB2  ASP  52           HB2      ASP  52 -18.906  -6.165  -3.868
  302    HB3  ASP  52           HB1      ASP  52 -18.896  -5.042  -2.515
  303    H    ARG  53           HN       ARG  53 -14.955  -6.961  -2.251
  304    HA   ARG  53           HA       ARG  53 -14.989  -9.026  -4.345
  305    HB2  ARG  53           HB2      ARG  53 -13.130  -6.647  -4.247
  306    HB3  ARG  53           HB1      ARG  53 -12.939  -8.020  -5.325
  307    HG2  ARG  53           HG2      ARG  53 -15.088  -7.499  -6.363
  308    HG3  ARG  53           HG1      ARG  53 -15.257  -6.109  -5.288
  309    HD2  ARG  53           HD2      ARG  53 -14.416  -5.365  -7.418
  310    HD3  ARG  53           HD1      ARG  53 -13.157  -5.196  -6.194
  311    HE   ARG  53           HE       ARG  53 -12.707  -7.653  -7.306
  312   HH11  ARG  53          HH11      ARG  53 -12.984  -4.399  -8.539
  313   HH12  ARG  53          HH12      ARG  53 -11.909  -4.665  -9.870
  314   HH21  ARG  53          HH21      ARG  53 -11.263  -8.020  -9.053
  315   HH22  ARG  53          HH22      ARG  53 -10.925  -6.729 -10.165
  316    H    GLY  54           HN       GLY  54 -13.014  -7.399  -1.905
  317    HA2  GLY  54           HA2      GLY  54 -12.199  -8.889  -0.101
  318    HA3  GLY  54           HA1      GLY  54 -11.683  -9.966  -1.380
  319    H    TRP  55           HN       TRP  55  -9.590  -9.893  -0.466
  320    HA   TRP  55           HA       TRP  55  -7.951  -7.688  -0.235
  321    HB2  TRP  55           HB2      TRP  55  -7.449 -10.538  -0.963
  322    HB3  TRP  55           HB1      TRP  55  -6.140  -9.385  -1.167
  323    HD1  TRP  55           HD1      TRP  55  -6.904 -11.848   1.166
  324    HE1  TRP  55           HE1      TRP  55  -6.208 -11.254   3.569
  325    HE3  TRP  55           HE3      TRP  55  -6.403  -6.794   0.643
  326    HZ2  TRP  55           HZ2      TRP  55  -5.519  -8.936   5.031
  327    HZ3  TRP  55           HZ3      TRP  55  -5.722  -5.468   2.594
  328    HH2  TRP  55           HH2      TRP  55  -5.301  -6.511   4.748
  329    H    THR  56           HN       THR  56  -7.522  -6.131  -1.594
  330    HA   THR  56           HA       THR  56  -8.031  -6.234  -4.377
  331    HB   THR  56           HB       THR  56  -6.807  -4.048  -4.433
  332    HG1  THR  56           HG1      THR  56  -5.492  -3.691  -2.823
  333   HG21  THR  56          HG21      THR  56  -9.208  -4.128  -4.026
  334   HG22  THR  56          HG22      THR  56  -8.458  -2.831  -3.094
  335   HG23  THR  56          HG23      THR  56  -8.918  -4.338  -2.300
  336    H    ASP  57           HN       ASP  57  -6.337  -5.654  -6.037
  337    HA   ASP  57           HA       ASP  57  -4.155  -7.438  -6.029
  338    HB2  ASP  57           HB2      ASP  57  -4.569  -4.911  -7.635
  339    HB3  ASP  57           HB1      ASP  57  -3.278  -6.066  -7.926
  340    H    GLU  58           HN       GLU  58  -2.191  -7.273  -5.192
  341    HA   GLU  58           HA       GLU  58  -1.694  -5.401  -3.188
  342    HB2  GLU  58           HB2      GLU  58  -0.707  -7.585  -3.118
  343    HB3  GLU  58           HB1      GLU  58   0.195  -7.284  -4.593
  344    HG2  GLU  58           HG2      GLU  58   1.544  -5.637  -3.474
  345    HG3  GLU  58           HG1      GLU  58   0.568  -5.784  -2.012
  346    H    CYS  59           HN       CYS  59  -1.058  -3.434  -3.267
  347    HA   CYS  59           HA       CYS  59  -0.162  -2.311  -5.807
  348    HB2  CYS  59           HB2      CYS  59  -0.932  -0.889  -3.250
  349    HB3  CYS  59           HB1      CYS  59  -0.713  -0.155  -4.837
  350    HG   CYS  59           HG       CYS  59  -2.981  -2.607  -4.827
  351    H    ILE  60           HN       ILE  60   1.968  -2.718  -5.999
  352    HA   ILE  60           HA       ILE  60   3.801  -2.373  -3.809
  353    HB   ILE  60           HB       ILE  60   4.298  -2.840  -6.757
  354   HG12  ILE  60          HG12      ILE  60   3.033  -4.645  -5.561
  355   HG13  ILE  60          HG11      ILE  60   4.571  -5.156  -6.248
  356   HG21  ILE  60          HG21      ILE  60   6.538  -3.537  -6.068
  357   HG22  ILE  60          HG22      ILE  60   6.162  -3.048  -4.416
  358   HG23  ILE  60          HG23      ILE  60   6.217  -1.843  -5.702
  359   HD11  ILE  60          HD11      ILE  60   4.139  -6.057  -3.998
  360   HD12  ILE  60          HD12      ILE  60   4.160  -4.407  -3.377
  361   HD13  ILE  60          HD13      ILE  60   5.609  -5.093  -4.101
  362    H    GLY  61           HN       GLY  61   4.699  -0.507  -3.249
  363    HA2  GLY  61           HA2      GLY  61   4.316   1.858  -4.862
  364    HA3  GLY  61           HA1      GLY  61   5.078   1.783  -3.280
  365    H    GLU  62           HN       GLU  62   6.436   3.394  -4.601
  366    HA   GLU  62           HA       GLU  62   8.338   2.151  -6.395
  367    HB2  GLU  62           HB2      GLU  62   8.121   4.962  -5.302
  368    HB3  GLU  62           HB1      GLU  62   9.331   4.441  -6.465
  369    HG2  GLU  62           HG2      GLU  62   7.499   3.834  -8.019
  370    HG3  GLU  62           HG1      GLU  62   6.352   4.518  -6.868
  371    HA   PRO  63           HA       PRO  63  11.423   1.255  -3.333
  372    HB2  PRO  63           HB2      PRO  63  13.690   1.861  -4.754
  373    HB3  PRO  63           HB1      PRO  63  12.779   0.360  -4.949
  374    HG2  PRO  63           HG2      PRO  63  12.713   2.846  -6.610
  375    HG3  PRO  63           HG1      PRO  63  12.696   1.151  -7.130
  376    HD2  PRO  63           HD2      PRO  63  10.455   2.640  -7.059
  377    HD3  PRO  63           HD1      PRO  63  10.439   0.907  -6.682
  378    H    MET  64           HN       MET  64  11.513   2.648  -1.657
  379    HA   MET  64           HA       MET  64  12.394   5.405  -2.197
  380    HB2  MET  64           HB2      MET  64  10.526   4.474  -0.016
  381    HB3  MET  64           HB1      MET  64  10.981   6.136  -0.372
  382    HG2  MET  64           HG2      MET  64   9.382   4.300  -2.137
  383    HG3  MET  64           HG1      MET  64   8.779   5.665  -1.208
  384    HE1  MET  64           HE1      MET  64  10.734   8.017  -1.630
  385    HE2  MET  64           HE2      MET  64   8.984   8.109  -1.836
  386    HE3  MET  64           HE3      MET  64  10.056   8.751  -3.083
  387    HA   PRO  65           HA       PRO  65  15.686   4.396   0.558
  388    HB2  PRO  65           HB2      PRO  65  16.701   6.834   1.012
  389    HB3  PRO  65           HB1      PRO  65  16.790   6.069  -0.579
  390    HG2  PRO  65           HG2      PRO  65  14.896   8.159   0.414
  391    HG3  PRO  65           HG1      PRO  65  15.727   8.055  -1.147
  392    HD2  PRO  65           HD2      PRO  65  13.120   7.299  -0.744
  393    HD3  PRO  65           HD1      PRO  65  14.160   6.633  -2.019
  394    H    SER  66           HN       SER  66  12.867   5.282   1.740
  395    HA   SER  66           HA       SER  66  13.778   5.165   4.466
  396    HB2  SER  66           HB2      SER  66  13.832   7.529   4.310
  397    HB3  SER  66           HB1      SER  66  12.372   7.578   3.326
  398    HG   SER  66           HG       SER  66  12.666   7.310   6.090
  399    H    VAL  67           HN       VAL  67  12.231   4.292   5.806
  400    HA   VAL  67           HA       VAL  67  10.331   2.638   4.473
  401    HB   VAL  67           HB       VAL  67  10.559   3.099   7.452
  402   HG11  VAL  67          HG11      VAL  67   8.549   1.907   6.758
  403   HG12  VAL  67          HG12      VAL  67   9.648   0.840   7.630
  404   HG13  VAL  67          HG13      VAL  67   9.535   0.744   5.873
  405   HG21  VAL  67          HG21      VAL  67  12.068   1.139   5.727
  406   HG22  VAL  67          HG22      VAL  67  12.079   1.171   7.490
  407   HG23  VAL  67          HG23      VAL  67  12.750   2.524   6.580
  408    H    LYS  68           HN       LYS  68  10.170   5.763   5.925
  409    HA   LYS  68           HA       LYS  68   7.399   5.664   6.653
  410    HB2  LYS  68           HB2      LYS  68   9.204   8.055   6.238
  411    HB3  LYS  68           HB1      LYS  68   7.657   8.057   7.073
  412    HG2  LYS  68           HG2      LYS  68  10.049   6.467   7.965
  413    HG3  LYS  68           HG1      LYS  68   9.647   8.075   8.564
  414    HD2  LYS  68           HD2      LYS  68   7.587   7.289   9.491
  415    HD3  LYS  68           HD1      LYS  68   7.779   5.717   8.713
  416    HE2  LYS  68           HE2      LYS  68   8.335   5.647  11.103
  417    HE3  LYS  68           HE1      LYS  68   9.709   5.237  10.084
  418    HZ1  LYS  68           HZ1      LYS  68   9.237   7.874  11.357
  419    HZ2  LYS  68           HZ2      LYS  68  10.563   7.474  10.391
  420    HZ3  LYS  68           HZ3      LYS  68  10.345   6.711  11.884
  421    H    LYS  69           HN       LYS  69   9.272   6.968   3.955
  422    HA   LYS  69           HA       LYS  69   6.907   7.904   2.603
  423    HB2  LYS  69           HB2      LYS  69   8.599   8.328   0.703
  424    HB3  LYS  69           HB1      LYS  69   8.701   9.307   2.158
  425    HG2  LYS  69           HG2      LYS  69  10.513   7.916   2.978
  426    HG3  LYS  69           HG1      LYS  69  10.406   6.913   1.534
  427    HD2  LYS  69           HD2      LYS  69  12.230   8.492   1.303
  428    HD3  LYS  69           HD1      LYS  69  10.953   8.881   0.156
  429    HE2  LYS  69           HE2      LYS  69  11.784  10.916   1.147
  430    HE3  LYS  69           HE1      LYS  69  10.136  10.630   1.698
  431    HZ1  LYS  69           HZ1      LYS  69  11.014   9.787   3.782
  432    HZ2  LYS  69           HZ2      LYS  69  11.581  11.352   3.495
  433    HZ3  LYS  69           HZ3      LYS  69  12.601  10.030   3.247
  434    H    ALA  70           HN       ALA  70   8.772   5.022   2.741
  435    HA   ALA  70           HA       ALA  70   8.116   3.834   0.306
  436    HB1  ALA  70           HB1      ALA  70   8.491   1.699   1.418
  437    HB2  ALA  70           HB2      ALA  70   8.398   2.488   2.993
  438    HB3  ALA  70           HB3      ALA  70   9.720   2.871   1.890
  439    H    LYS  71           HN       LYS  71   6.418   3.402   3.435
  440    HA   LYS  71           HA       LYS  71   4.129   2.150   2.555
  441    HB2  LYS  71           HB2      LYS  71   4.323   4.272   4.707
  442    HB3  LYS  71           HB1      LYS  71   3.047   3.076   4.548
  443    HG2  LYS  71           HG2      LYS  71   4.552   1.298   5.090
  444    HG3  LYS  71           HG1      LYS  71   5.938   2.391   5.032
  445    HD2  LYS  71           HD2      LYS  71   4.990   3.661   6.917
  446    HD3  LYS  71           HD1      LYS  71   3.645   2.524   6.992
  447    HE2  LYS  71           HE2      LYS  71   6.540   1.761   7.334
  448    HE3  LYS  71           HE1      LYS  71   5.442   2.104   8.666
  449    HZ1  LYS  71           HZ1      LYS  71   4.050   0.269   7.941
  450    HZ2  LYS  71           HZ2      LYS  71   5.618  -0.264   8.259
  451    HZ3  LYS  71           HZ3      LYS  71   5.104  -0.059   6.663
  452    H    ASP  72           HN       ASP  72   4.718   5.634   2.924
  453    HA   ASP  72           HA       ASP  72   2.343   6.662   2.038
  454    HB2  ASP  72           HB2      ASP  72   4.103   8.058   2.960
  455    HB3  ASP  72           HB1      ASP  72   5.114   7.758   1.551
  456    H    SER  73           HN       SER  73   5.162   5.891  -0.042
  457    HA   SER  73           HA       SER  73   4.080   6.780  -2.440
  458    HB2  SER  73           HB2      SER  73   6.441   6.204  -2.189
  459    HB3  SER  73           HB1      SER  73   6.022   4.511  -1.929
  460    HG   SER  73           HG       SER  73   5.557   6.009  -4.302
  461    H    ALA  74           HN       ALA  74   3.863   3.579  -0.919
  462    HA   ALA  74           HA       ALA  74   2.496   2.389  -3.124
  463    HB1  ALA  74           HB1      ALA  74   2.541   1.437  -0.268
  464    HB2  ALA  74           HB2      ALA  74   3.844   1.155  -1.426
  465    HB3  ALA  74           HB3      ALA  74   2.242   0.479  -1.720
  466    H    ALA  75           HN       ALA  75   1.480   3.701  -0.013
  467    HA   ALA  75           HA       ALA  75  -1.233   3.175  -0.087
  468    HB1  ALA  75           HB1      ALA  75  -1.507   5.041   1.455
  469    HB2  ALA  75           HB2      ALA  75   0.104   5.630   1.044
  470    HB3  ALA  75           HB3      ALA  75  -0.086   4.083   1.869
  471    H    VAL  76           HN       VAL  76   0.524   5.862  -1.619
  472    HA   VAL  76           HA       VAL  76  -1.751   7.351  -2.386
  473    HB   VAL  76           HB       VAL  76   1.013   7.277  -3.617
  474   HG11  VAL  76          HG11      VAL  76   0.465   9.414  -4.643
  475   HG12  VAL  76          HG12      VAL  76  -1.165   9.333  -3.979
  476   HG13  VAL  76          HG13      VAL  76  -0.650   8.164  -5.193
  477   HG21  VAL  76          HG21      VAL  76   0.998   7.967  -1.281
  478   HG22  VAL  76          HG22      VAL  76  -0.233   9.179  -1.637
  479   HG23  VAL  76          HG23      VAL  76   1.379   9.328  -2.335
  480    H    LEU  77           HN       LEU  77  -0.022   4.695  -3.865
  481    HA   LEU  77           HA       LEU  77  -1.395   4.815  -6.380
  482    HB2  LEU  77           HB2      LEU  77   0.154   2.563  -5.089
  483    HB3  LEU  77           HB1      LEU  77  -0.338   2.635  -6.767
  484    HG   LEU  77           HG       LEU  77   1.534   4.633  -5.508
  485   HD11  LEU  77          HD11      LEU  77   2.196   2.204  -7.161
  486   HD12  LEU  77          HD12      LEU  77   2.500   2.388  -5.436
  487   HD13  LEU  77          HD13      LEU  77   3.337   3.421  -6.594
  488   HD21  LEU  77          HD21      LEU  77   2.065   5.188  -7.816
  489   HD22  LEU  77          HD22      LEU  77   0.343   5.397  -7.507
  490   HD23  LEU  77          HD23      LEU  77   0.914   3.981  -8.386
  491    H    LEU  78           HN       LEU  78  -1.698   3.115  -3.357
  492    HA   LEU  78           HA       LEU  78  -3.728   1.291  -4.033
  493    HB2  LEU  78           HB2      LEU  78  -2.429   0.972  -2.075
  494    HB3  LEU  78           HB1      LEU  78  -2.830   2.565  -1.471
  495    HG   LEU  78           HG       LEU  78  -5.228   1.737  -1.306
  496   HD11  LEU  78          HD11      LEU  78  -5.546  -0.654  -1.150
  497   HD12  LEU  78          HD12      LEU  78  -3.848  -0.933  -1.531
  498   HD13  LEU  78          HD13      LEU  78  -4.921  -0.235  -2.745
  499   HD21  LEU  78          HD21      LEU  78  -3.193   0.372   0.440
  500   HD22  LEU  78          HD22      LEU  78  -4.833   0.853   0.876
  501   HD23  LEU  78          HD23      LEU  78  -3.603   2.082   0.564
  502    H    LEU  79           HN       LEU  79  -3.825   4.554  -2.666
  503    HA   LEU  79           HA       LEU  79  -6.607   4.696  -2.308
  504    HB2  LEU  79           HB2      LEU  79  -4.376   6.618  -2.397
  505    HB3  LEU  79           HB1      LEU  79  -5.957   7.280  -2.750
  506    HG   LEU  79           HG       LEU  79  -6.792   6.410  -0.596
  507   HD11  LEU  79          HD11      LEU  79  -5.295   4.524  -0.319
  508   HD12  LEU  79          HD12      LEU  79  -5.194   5.602   1.074
  509   HD13  LEU  79          HD13      LEU  79  -3.921   5.616  -0.147
  510   HD21  LEU  79          HD21      LEU  79  -4.344   8.152  -0.400
  511   HD22  LEU  79          HD22      LEU  79  -5.599   8.000   0.829
  512   HD23  LEU  79          HD23      LEU  79  -5.987   8.693  -0.746
  513    H    GLU  80           HN       GLU  80  -4.686   4.919  -5.166
  514    HA   GLU  80           HA       GLU  80  -6.723   6.159  -6.763
  515    HB2  GLU  80           HB2      GLU  80  -4.302   4.540  -7.568
  516    HB3  GLU  80           HB1      GLU  80  -5.349   5.414  -8.686
  517    HG2  GLU  80           HG2      GLU  80  -4.777   7.477  -7.262
  518    HG3  GLU  80           HG1      GLU  80  -3.452   6.493  -6.642
  519    H    LEU  81           HN       LEU  81  -5.730   2.878  -6.003
  520    HA   LEU  81           HA       LEU  81  -7.411   1.527  -7.840
  521    HB2  LEU  81           HB2      LEU  81  -5.404   0.821  -6.152
  522    HB3  LEU  81           HB1      LEU  81  -6.796   0.265  -5.251
  523    HG   LEU  81           HG       LEU  81  -6.059  -0.563  -8.044
  524   HD11  LEU  81          HD11      LEU  81  -4.576  -1.421  -6.265
  525   HD12  LEU  81          HD12      LEU  81  -5.493  -2.695  -7.069
  526   HD13  LEU  81          HD13      LEU  81  -5.982  -2.132  -5.471
  527   HD21  LEU  81          HD21      LEU  81  -8.477  -0.580  -7.723
  528   HD22  LEU  81          HD22      LEU  81  -8.285  -1.534  -6.253
  529   HD23  LEU  81          HD23      LEU  81  -7.847  -2.224  -7.814
  530    H    LEU  82           HN       LEU  82  -7.665   2.471  -4.480
  531    HA   LEU  82           HA       LEU  82 -10.261   1.499  -3.994
  532    HB2  LEU  82           HB2      LEU  82  -8.233   3.101  -2.646
  533    HB3  LEU  82           HB1      LEU  82  -9.872   3.560  -2.229
  534    HG   LEU  82           HG       LEU  82 -10.358   1.460  -1.344
  535   HD11  LEU  82          HD11      LEU  82  -7.846   0.453  -2.638
  536   HD12  LEU  82          HD12      LEU  82  -9.512  -0.014  -3.002
  537   HD13  LEU  82          HD13      LEU  82  -8.789  -0.460  -1.458
  538   HD21  LEU  82          HD21      LEU  82  -7.517   2.117  -0.604
  539   HD22  LEU  82          HD22      LEU  82  -8.611   1.106   0.340
  540   HD23  LEU  82          HD23      LEU  82  -8.970   2.816   0.112
  541    H    ASN  83           HN       ASN  83  -9.122   4.277  -5.633
  542    HA   ASN  83           HA       ASN  83 -11.678   5.664  -5.432
  543    HB2  ASN  83           HB2      ASN  83  -9.503   6.919  -5.503
  544    HB3  ASN  83           HB1      ASN  83  -9.266   6.328  -7.142
  545   HD21  ASN  83          HD21      ASN  83 -11.150   8.423  -5.092
  546   HD22  ASN  83          HD22      ASN  83 -11.831   9.376  -6.363
  547    H    LYS  84           HN       LYS  84 -10.569   3.068  -6.943
  548    HA   LYS  84           HA       LYS  84 -11.433   1.674  -8.472
  549    HB2  LYS  84           HB2      LYS  84 -13.219   3.994  -8.808
  550    HB3  LYS  84           HB1      LYS  84 -13.229   2.761 -10.070
  551    HG2  LYS  84           HG2      LYS  84 -13.819   1.079  -8.408
  552    HG3  LYS  84           HG1      LYS  84 -13.730   2.288  -7.129
  553    HD2  LYS  84           HD2      LYS  84 -16.035   1.942  -7.686
  554    HD3  LYS  84           HD1      LYS  84 -15.558   3.535  -8.268
  555    HE2  LYS  84           HE2      LYS  84 -15.303   2.648 -10.522
  556    HE3  LYS  84           HE1      LYS  84 -15.728   1.036  -9.949
  557    HZ1  LYS  84           HZ1      LYS  84 -17.497   3.420  -9.916
  558    HZ2  LYS  84           HZ2      LYS  84 -17.910   1.894  -9.319
  559    HZ3  LYS  84           HZ3      LYS  84 -17.619   2.104 -10.970
  560    H    THR  85           HN       THR  85 -11.017   1.229 -10.719
  561    HA   THR  85           HA       THR  85  -9.284   3.136 -12.047
  562    HB   THR  85           HB       THR  85  -7.408   1.408 -12.131
  563    HG1  THR  85           HG1      THR  85  -8.975  -0.184 -11.045
  564   HG21  THR  85          HG21      THR  85  -7.210   3.458 -10.812
  565   HG22  THR  85          HG22      THR  85  -6.441   2.103  -9.987
  566   HG23  THR  85          HG23      THR  85  -8.022   2.674  -9.455