*HEADER    TOXIN                                   19-APR-18   6D53              
*TITLE     TRANS FORM OF HEMOLYSINII C-TERMINAL DOMAIN                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEMOLYSIN II;                                              
*COMPND   3 CHAIN: C;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL DOMAIN, RESIDUES 319-412;                       
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS;                                
*SOURCE   3 ORGANISM_TAXID: 226900;                                              
*SOURCE   4 STRAIN: ATCC 14579 / DSM 31 / JCM 2152 / NBRC 15305 / NCIMB 9373 /   
*SOURCE   5 NRRL B-3711;                                                         
*SOURCE   6 ATCC: 14579;                                                         
*SOURCE   7 GENE: BC_3523;                                                       
*SOURCE   8 EXPRESSION_SYSTEM: ESCHERICHIA COLI 'BL21-GOLD(DE3)PLYSS AG';        
*SOURCE   9 EXPRESSION_SYSTEM_TAXID: 866768;                                     
*SOURCE  10 EXPRESSION_SYSTEM_STRAIN: BL21-GOLD(DE3)PLYSS AG;                    
*SOURCE  11 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  12 EXPRESSION_SYSTEM_PLASMID: PET28B                                    
*KEYWDS    PORE-FORMING TOXIN, PROLINE ISOMERIZATION, CONFORMATIONAL             
*KEYWDS   2 HETEROGENEITY, TOXIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    25                                                                    
*AUTHOR    A.R.KAPLAN,A.T.ALEXANDRESCU,R.OLSON                                   
*REVDAT   1   24-APR-19 6D53    0                                                
# Restraints file 1: Hbonds_trans_PDBdep.tbl
!!!!!!!!!!
!!HBonds!!
!!!!!!!!!!
assi    (resid 11   and name  O)   (resid 15   and name  N)      3.200     0.684     0.727
assi    (resid 15   and name  HN)   (resid 11   and name  O)      2.200     0.470     0.500

assi    (resid 14   and name  O)   (resid 18   and name  N)      3.200     0.684     0.727
assi    (resid 18   and name  HN)   (resid 14   and name  O)      2.200     0.470     0.500
 
assi    (resid 15   and name  O)   (resid 19   and name  N)      3.200     0.684     0.727
assi    (resid 19   and name  HN)   (resid 15   and name  O)      2.200     0.470     0.500

assi    (resid 16   and name  O)   (resid 20   and name  N)      3.200     0.684     0.727
assi    (resid 20   and name  HN)   (resid 16   and name  O)      2.200     0.470     0.500
 
assi    (resid 26   and name  HN)   (resid 41   and name  O)      2.200     0.470     0.500
assi    (resid 41   and name  O)   (resid 26   and name  N)      3.200     0.684     0.727 

assi    (resid 28   and name  O)   (resid 39   and name  N)      3.200     0.684     0.727 
assi    (resid 39   and name  HN)   (resid 28   and name  O)      2.200     0.470     0.500
 
assi    (resid 30   and name  O)   (resid 37   and name  N)      3.200     0.684     0.727
assi    (resid 37   and name  HN)   (resid 30   and name  O)      2.200     0.470     0.500 

assi    (resid 32   and name  HN)   (resid 35   and name  O)      2.200     0.470     0.500 
assi    (resid 35   and name  O)   (resid 32   and name  N)      3.200     0.684     0.727
 
assi    (resid 52   and name  O)   (resid 68   and name  N)      3.200     0.684     0.727
assi    (resid 68   and name  HN)   (resid 52   and name  O)      2.200     0.470     0.500 

assi    (resid 53   and name  O)   (resid 94   and name  N)      3.200     0.684     0.727 
assi    (resid 94   and name  HN)   (resid 53   and name  O)      2.200     0.470     0.500

assi    (resid 54   and name  O)   (resid 66   and name  N)      3.200     0.684     0.727 
assi    (resid 66   and name  HN)   (resid 54   and name  O)      2.200     0.470     0.500
 
assi    (resid 55   and name  O)   (resid 92   and name  N)      3.200     0.684     0.727
assi    (resid 92   and name  HN)   (resid 55   and name  O)      2.200     0.470     0.500 

assi    (resid 56   and name  HN)   (resid 64   and name  O)      2.200     0.470     0.500 
assi    (resid 64   and name  O)   (resid 56   and name  N)      3.200     0.684     0.727
 
!TRANS FORM ONLY
 assi    (resid 57   and name  O)   (resid 90   and name  N)      3.200     0.684     0.727
!TRANS FORM ONLY
 assi    (resid 90   and name  HN)   (resid 57   and name  O)      2.200     0.470     0.500 

!TRANS FORM ONLY
 assi    (resid 59   and name  HN)   (resid 88   and name  O)      2.200     0.470     0.500 
!TRANS FORM ONLY
 assi    (resid 88   and name  O)   (resid 59   and name  N)      3.200     0.684     0.727

!TRANS FORM ONLY consistently violated. NOT FUCKING THERE. MY LIFE IS A LIE!
! assi    (resid 58   and name  O)   (resid 62   and name  N)      3.200     0.684     0.727
!TRANS FORM ONLY consistently violated. NOT FUCKING THERE. MY LIFE IS A LIE!
! assi    (resid 62   and name  HN)   (resid 58   and name  O)      2.200     0.470     0.800

assi    (resid 71   and name  O)   (resid 75   and name  N)      3.200     0.684     0.727
assi    (resid 75   and name  HN)   (resid 71   and name  O)      2.200     0.470     0.500

assi    (resid 72   and name  O)   (resid 76   and name  N)      3.200     0.684     0.727
assi    (resid 76   and name  HN)   (resid 72   and name  O)      2.200     0.470     0.500

assi    (resid 73   and name  O)   (resid 77   and name  N)      3.200     0.684     0.727
assi    (resid 77   and name  HN)   (resid 73   and name  O)      2.200     0.470     0.500 

assi    (resid 74   and name  O)   (resid 78   and name  N)      3.200     0.684     0.727 
assi    (resid 78   and name  HN)   (resid 74   and name  O)      2.200     0.470     0.500
 
assi    (resid 75   and name  O)   (resid 79   and name  N)      3.200     0.684     0.727
assi    (resid 79   and name  HN)   (resid 75   and name  O)      2.200     0.470     0.500 

assi    (resid 76   and name  O)   (resid 80   and name  N)      3.200     0.684     0.727 
assi    (resid 80   and name  HN)   (resid 76   and name  O)      2.200     0.470     0.500
 
assi    (resid 81   and name  O)   (resid 83   and name  N)      3.200     0.684     0.727
assi    (resid 83   and name  HN)   (resid 81   and name  O)      2.200     0.470     0.500 

 

 

 

 

 

 

 

 





 

# Restraints file 2: dangleT.tbl

ASSIGN  (resid 2    and name C   ) (resid 3    and name N   )
         (resid 3    and name CA  ) (resid 3    and name C   )  1.00 -64.74 25.26 2

 ASSIGN  (resid 3    and name N   ) (resid 3    and name CA  )
         (resid 3    and name C   ) (resid 4    and name N   )  1.00 -42.29 63.71 2
!increased 1x
 ASSIGN  (resid 3    and name C   ) (resid 4    and name N   )
         (resid 4    and name CA  ) (resid 4    and name C   )  1.00 -62.57 37.43 2

 ASSIGN  (resid 4    and name N   ) (resid 4    and name CA  )
         (resid 4    and name C   ) (resid 5    and name N   )  1.00 -38.90 31.10 2

 ASSIGN  (resid 4    and name C   ) (resid 5    and name N   )
         (resid 5    and name CA  ) (resid 5    and name C   )  1.00 -61.19 28.81 2

 ASSIGN  (resid 5    and name N   ) (resid 5    and name CA  )
         (resid 5    and name C   ) (resid 6    and name N   )  1.00 -35.59 34.41 2

 ASSIGN  (resid 5    and name C   ) (resid 6    and name N   )
         (resid 6    and name CA  ) (resid 6    and name C   )  1.00 -64.64 25.36 2

! ASSIGN  (resid 6    and name N   ) (resid 6    and name CA  )
!         (resid 6    and name C   ) (resid 7    and name N   )  1.00 -34.47 35.53 2

 ASSIGN  (resid 6    and name C   ) (resid 7    and name N   )
         (resid 7    and name CA  ) (resid 7    and name C   )  1.00 -64.79 35.21 2
!inc 1x
 ASSIGN  (resid 7    and name N   ) (resid 7    and name CA  )
         (resid 7    and name C   ) (resid 8    and name N   )  1.00 -36.36 58.64 2

!inc 2x REMOVED!
! ASSIGN  (resid 7    and name C   ) (resid 8    and name N   )
!         (resid 8    and name CA  ) (resid 8    and name C   )  1.00 -60.54 64.46 2

 ASSIGN  (resid 8    and name N   ) (resid 8    and name CA  )
         (resid 8    and name C   ) (resid 9    and name N   )  1.00 -26.24 43.76 2

 ASSIGN  (resid 8    and name C   ) (resid 9    and name N   )
         (resid 9    and name CA  ) (resid 9    and name C   )  1.00 -80.76 39.24 2

 ASSIGN  (resid 9    and name N   ) (resid 9    and name CA  )
         (resid 9    and name C   ) (resid 10   and name N   )  1.00 -25.25 40.75 2

 ASSIGN  (resid 9    and name C   ) (resid 10   and name N   )
         (resid 10   and name CA  ) (resid 10   and name C   )  1.00 -75.78 44.22 2

 ASSIGN  (resid 10   and name N   ) (resid 10   and name CA  )
         (resid 10   and name C   ) (resid 11   and name N   )  1.00 162.58 52.58 2

 ASSIGN  (resid 10   and name C   ) (resid 11   and name N   )
         (resid 11   and name CA  ) (resid 11   and name C   )  1.00 -55.09 24.91 2

 ASSIGN  (resid 11   and name N   ) (resid 11   and name CA  )
         (resid 11   and name C   ) (resid 12   and name N   )  1.00 -34.93 25.07 2

 ASSIGN  (resid 11   and name C   ) (resid 12   and name N   )
         (resid 12   and name CA  ) (resid 12   and name C   )  1.00 -64.87 25.13 2

 ASSIGN  (resid 12   and name N   ) (resid 12   and name CA  )
         (resid 12   and name C   ) (resid 13   and name N   )  1.00 -42.35 17.65 2

 ASSIGN  (resid 12   and name C   ) (resid 13   and name N   )
         (resid 13   and name CA  ) (resid 13   and name C   )  1.00 -64.94 25.06 2

 ASSIGN  (resid 13   and name N   ) (resid 13   and name CA  )
         (resid 13   and name C   ) (resid 14   and name N   )  1.00 -45.05 24.95 2

 ASSIGN  (resid 13   and name C   ) (resid 14   and name N   )
         (resid 14   and name CA  ) (resid 14   and name C   )  1.00 -64.88 25.12 2

 ASSIGN  (resid 14   and name N   ) (resid 14   and name CA  )
         (resid 14   and name C   ) (resid 15   and name N   )  1.00 -35.65 24.35 2

 ASSIGN  (resid 14   and name C   ) (resid 15   and name N   )
         (resid 15   and name CA  ) (resid 15   and name C   )  1.00 -64.75 25.25 2

 ASSIGN  (resid 15   and name N   ) (resid 15   and name CA  )
         (resid 15   and name C   ) (resid 16   and name N   )  1.00 -42.50 27.50 2

 ASSIGN  (resid 15   and name C   ) (resid 16   and name N   )
         (resid 16   and name CA  ) (resid 16   and name C   )  1.00 -64.77 25.23 2

 ASSIGN  (resid 16   and name N   ) (resid 16   and name CA  )
         (resid 16   and name C   ) (resid 17   and name N   )  1.00 -42.10 17.90 2

 ASSIGN  (resid 16   and name C   ) (resid 17   and name N   )
         (resid 17   and name CA  ) (resid 17   and name C   )  1.00 -58.87 31.13 2

 ASSIGN  (resid 17   and name N   ) (resid 17   and name CA  )
         (resid 17   and name C   ) (resid 18   and name N   )  1.00 -44.31 25.69 2

 ASSIGN  (resid 17   and name C   ) (resid 18   and name N   )
         (resid 18   and name CA  ) (resid 18   and name C   )  1.00 -64.10 25.90 2

 ASSIGN  (resid 18   and name N   ) (resid 18   and name CA  )
         (resid 18   and name C   ) (resid 19   and name N   )  1.00 -43.28 26.72 2

 ASSIGN  (resid 18   and name C   ) (resid 19   and name N   )
         (resid 19   and name CA  ) (resid 19   and name C   )  1.00 -63.57 26.43 2

 ASSIGN  (resid 19   and name N   ) (resid 19   and name CA  )
         (resid 19   and name C   ) (resid 20   and name N   )  1.00 -38.41 31.59 2

 ASSIGN  (resid 19   and name C   ) (resid 20   and name N   )
         (resid 20   and name CA  ) (resid 20   and name C   )  1.00 -88.48 31.52 2

 ASSIGN  (resid 20   and name N   ) (resid 20   and name CA  )
         (resid 20   and name C   ) (resid 21   and name N   )  1.00  -4.37 35.63 2

 ASSIGN  (resid 21   and name C   ) (resid 22   and name N   )
         (resid 22   and name CA  ) (resid 22   and name C   )  1.00 -75.24 44.76 2

 ASSIGN  (resid 22   and name N   ) (resid 22   and name CA  )
         (resid 22   and name C   ) (resid 23   and name N   )  1.00 -15.37 24.63 2

 ASSIGN  (resid 23   and name C   ) (resid 24   and name N   )
         (resid 24   and name CA  ) (resid 24   and name C   )  1.00 -70.42 39.58 2

 ASSIGN  (resid 24   and name N   ) (resid 24   and name CA  )
         (resid 24   and name C   ) (resid 25   and name N   )  1.00 146.01 53.01 2

 ASSIGN  (resid 25   and name C   ) (resid 26   and name N   )
         (resid 26   and name CA  ) (resid 26   and name C   )  1.00 -116.54 33.46 2
!inc 2x
 ASSIGN  (resid 26   and name N   ) (resid 26   and name CA  )
         (resid 26   and name C   ) (resid 27   and name N   )  1.00 132.19 52.19 2
!inc 1x
 ASSIGN  (resid 26   and name C   ) (resid 27   and name N   )
         (resid 27   and name CA  ) (resid 27   and name C   )  1.00 -121.30 35.70 2

 ASSIGN  (resid 27   and name N   ) (resid 27   and name CA  )
         (resid 27   and name C   ) (resid 28   and name N   )  1.00 128.56 28.56 2


!!decreased bounds by 10 degs for 28-30
!increased 1x down 10
 ASSIGN  (resid 27   and name C   ) (resid 28   and name N   )
         (resid 28   and name CA  ) (resid 28   and name C   )  1.00 -118.04 31.96 2

 ASSIGN  (resid 28   and name N   ) (resid 28   and name CA  )
         (resid 28   and name C   ) (resid 29   and name N   )  1.00 131.49 31.49 2
!down 10
 ASSIGN  (resid 28   and name C   ) (resid 29   and name N   )
         (resid 29   and name CA  ) (resid 29   and name C   )  1.00 -110.54 29.46 2

 ASSIGN  (resid 29   and name N   ) (resid 29   and name CA  )
         (resid 29   and name C   ) (resid 30   and name N   )  1.00 133.96 33.96 2

 ASSIGN  (resid 29   and name C   ) (resid 30   and name N   )
         (resid 30   and name CA  ) (resid 30   and name C   )  1.00 -133.55 26.45 2

 ASSIGN  (resid 30   and name N   ) (resid 30   and name CA  )
         (resid 30   and name C   ) (resid 31   and name N   )  1.00 154.85 24.85 2

 ASSIGN  (resid 30   and name C   ) (resid 31   and name N   )
         (resid 31   and name CA  ) (resid 31   and name C   )  1.00 -119.05 20.95 2

!!decreased 10 degs 32-38
 ASSIGN  (resid 31   and name N   ) (resid 31   and name CA  )
         (resid 31   and name C   ) (resid 32   and name N   )  1.00 130.13 15.13 2

 ASSIGN  (resid 31   and name C   ) (resid 32   and name N   )
         (resid 32   and name CA  ) (resid 32   and name C   )  1.00 -132.66 15.34 2

 ASSIGN  (resid 32   and name N   ) (resid 32   and name CA  )
         (resid 32   and name C   ) (resid 33   and name N   )  1.00 112.07 20.07 2

 ASSIGN  (resid 32   and name C   ) (resid 33   and name N   )
         (resid 33   and name CA  ) (resid 33   and name C   )  1.00  65.62 25.62 2

 ASSIGN  (resid 33   and name N   ) (resid 33   and name CA  )
         (resid 33   and name C   ) (resid 34   and name N   )  1.00 -122.17 27.83 2

 ASSIGN  (resid 33   and name C   ) (resid 34   and name N   )
         (resid 34   and name CA  ) (resid 34   and name C   )  1.00 -95.03 24.97 2

!increased 2x decreased 20 degs
 ASSIGN  (resid 34   and name N   ) (resid 34   and name CA  )
         (resid 34   and name C   ) (resid 35   and name N   )  1.00   4.99 24.99 2

 ASSIGN  (resid 34   and name C   ) (resid 35   and name N   )
         (resid 35   and name CA  ) (resid 35   and name C   )  1.00 -120.03 29.97 2

 ASSIGN  (resid 35   and name N   ) (resid 35   and name CA  )
         (resid 35   and name C   ) (resid 36   and name N   )  1.00 137.00 27.00 2

 ASSIGN  (resid 35   and name C   ) (resid 36   and name N   )
         (resid 36   and name CA  ) (resid 36   and name C   )  1.00 -108.32 21.68 2

 ASSIGN  (resid 36   and name N   ) (resid 36   and name CA  )
         (resid 36   and name C   ) (resid 37   and name N   )  1.00 119.51 19.51 2

 ASSIGN  (resid 36   and name C   ) (resid 37   and name N   )
         (resid 37   and name CA  ) (resid 37   and name C   )  1.00 -120.26 29.74 2
!inc 2x
 ASSIGN  (resid 37   and name N   ) (resid 37   and name CA  )
         (resid 37   and name C   ) (resid 38   and name N   )  1.00 138.62 30.62 2

 ASSIGN  (resid 37   and name C   ) (resid 38   and name N   )
         (resid 38   and name CA  ) (resid 38   and name C   )  1.00 -126.67 23.33 2

 ASSIGN  (resid 38   and name N   ) (resid 38   and name CA  )
         (resid 38   and name C   ) (resid 39   and name N   )  1.00 145.70 25.70 2

 ASSIGN  (resid 38   and name C   ) (resid 39   and name N   )
         (resid 39   and name CA  ) (resid 39   and name C   )  1.00 -124.60 25.40 2

 ASSIGN  (resid 39   and name N   ) (resid 39   and name CA  )
         (resid 39   and name C   ) (resid 40   and name N   )  1.00 125.76 25.76 2

 ASSIGN  (resid 39   and name C   ) (resid 40   and name N   )
         (resid 40   and name CA  ) (resid 40   and name C   )  1.00 -134.93 25.07 2

 ASSIGN  (resid 40   and name N   ) (resid 40   and name CA  )
         (resid 40   and name C   ) (resid 41   and name N   )  1.00 154.46 34.46 2

 ASSIGN  (resid 40   and name C   ) (resid 41   and name N   )
         (resid 41   and name CA  ) (resid 41   and name C   )  1.00 -123.40 36.60 2
!inc 1x !went back down 10 degs, back up 5degs
! ASSIGN  (resid 41   and name N   ) (resid 41   and name CA  )
!         (resid 41   and name C   ) (resid 42   and name N   )  1.00 127.06 37.06 2

 ASSIGN  (resid 41   and name C   ) (resid 42   and name N   )
         (resid 42   and name CA  ) (resid 42   and name C   )  1.00  55.00 25.00 2
!inc 1x
 ASSIGN  (resid 42   and name N   ) (resid 42   and name CA  )
         (resid 42   and name C   ) (resid 43   and name N   )  1.00  44.02 34.02 2

 ASSIGN  (resid 42   and name C   ) (resid 43   and name N   )
         (resid 43   and name CA  ) (resid 43   and name C   )  1.00  64.98 24.98 2

 ASSIGN  (resid 43   and name N   ) (resid 43   and name CA  )
         (resid 43   and name C   ) (resid 44   and name N   )  1.00  25.00 25.00 2

 ASSIGN  (resid 43   and name C   ) (resid 44   and name N   )
         (resid 44   and name CA  ) (resid 44   and name C   )  1.00  86.58 26.58 2

 ASSIGN  (resid 44   and name N   ) (resid 44   and name CA  )
         (resid 44   and name C   ) (resid 45   and name N   )  1.00  -2.99 27.01 2

 ASSIGN  (resid 44   and name C   ) (resid 45   and name N   )
         (resid 45   and name CA  ) (resid 45   and name C   )  1.00 -73.88 46.12 2

 ASSIGN  (resid 45   and name N   ) (resid 45   and name CA  )
         (resid 45   and name C   ) (resid 46   and name N   )  1.00 145.31 35.31 2

 ASSIGN  (resid 46   and name C   ) (resid 47   and name N   )
         (resid 47   and name CA  ) (resid 47   and name C   )  1.00 -80.05 29.95 2

!increased 2x
 ASSIGN  (resid 47   and name N   ) (resid 47   and name CA  )
         (resid 47   and name C   ) (resid 48   and name N   )  1.00 -15.38 50.62 2

 ASSIGN  (resid 48   and name C   ) (resid 49   and name N   )
         (resid 49   and name CA  ) (resid 49   and name C   )  1.00 -115.93 64.07 2

!increased 3x
! ASSIGN  (resid 49   and name N   ) (resid 49   and name CA  )
!         (resid 49   and name C   ) (resid 50   and name N   )  1.00 145.45 75.45 2

 ASSIGN  (resid 49   and name C   ) (resid 50   and name N   )
         (resid 50   and name CA  ) (resid 50   and name C   )  1.00 -124.51 55.49 2

 ASSIGN  (resid 50   and name N   ) (resid 50   and name CA  )
         (resid 50   and name C   ) (resid 51   and name N   )  1.00 151.65 61.65 2

 ASSIGN  (resid 50   and name C   ) (resid 51   and name N   )
         (resid 51   and name CA  ) (resid 51   and name C   )  1.00 -101.27 78.73 2

 ASSIGN  (resid 51   and name N   ) (resid 51   and name CA  )
         (resid 51   and name C   ) (resid 52   and name N   )  1.00 133.59 43.59 2

 ASSIGN  (resid 51   and name C   ) (resid 52   and name N   )
         (resid 52   and name CA  ) (resid 52   and name C   )  1.00 -126.65 33.35 2

 ASSIGN  (resid 52   and name N   ) (resid 52   and name CA  )
         (resid 52   and name C   ) (resid 53   and name N   )  1.00 133.53 23.53 2

 ASSIGN  (resid 52   and name C   ) (resid 53   and name N   )
         (resid 53   and name CA  ) (resid 53   and name C   )  1.00 -114.80 25.20 2

 ASSIGN  (resid 53   and name N   ) (resid 53   and name CA  )
         (resid 53   and name C   ) (resid 54   and name N   )  1.00 127.14 27.14 2

 ASSIGN  (resid 53   and name C   ) (resid 54   and name N   )
         (resid 54   and name CA  ) (resid 54   and name C   )  1.00 -122.07 47.93 2

 ASSIGN  (resid 54   and name N   ) (resid 54   and name CA  )
         (resid 54   and name C   ) (resid 55   and name N   )  1.00 132.79 32.79 2

 ASSIGN  (resid 54   and name C   ) (resid 55   and name N   )
         (resid 55   and name CA  ) (resid 55   and name C   )  1.00 -135.18 44.82 2

 ASSIGN  (resid 55   and name N   ) (resid 55   and name CA  )
         (resid 55   and name C   ) (resid 56   and name N   )  1.00 145.47 35.47 2

 ASSIGN  (resid 55   and name C   ) (resid 56   and name N   )
         (resid 56   and name CA  ) (resid 56   and name C   )  1.00 -106.75 43.25 2

 ASSIGN  (resid 56   and name N   ) (resid 56   and name CA  )
         (resid 56   and name C   ) (resid 57   and name N   )  1.00 124.94 24.94 2

 ASSIGN  (resid 56   and name C   ) (resid 57   and name N   )
         (resid 57   and name CA  ) (resid 57   and name C   )  1.00 -116.26 33.74 2

 ASSIGN  (resid 57   and name N   ) (resid 57   and name CA  )
         (resid 57   and name C   ) (resid 58   and name N   )  1.00 133.66 33.66 2

 ASSIGN  (resid 57   and name C   ) (resid 58   and name N   )
         (resid 58   and name CA  ) (resid 58   and name C   )  1.00 -114.78 35.22 2

 ASSIGN  (resid 58   and name N   ) (resid 58   and name CA  )
         (resid 58   and name C   ) (resid 59   and name N   )  1.00 124.14 34.14 2

 ASSIGN  (resid 58   and name C   ) (resid 59   and name N   )
         (resid 59   and name CA  ) (resid 59   and name C   )  1.00  55.00 15.00 2

 ASSIGN  (resid 59   and name N   ) (resid 59   and name CA  )
         (resid 59   and name C   ) (resid 60   and name N   )  1.00  44.43 24.43 2

 ASSIGN  (resid 59   and name C   ) (resid 60   and name N   )
         (resid 60   and name CA  ) (resid 60   and name C   )  1.00  69.05 19.05 2

 ASSIGN  (resid 60   and name N   ) (resid 60   and name CA  )
         (resid 60   and name C   ) (resid 61   and name N   )  1.00  13.29 23.29 2

 ASSIGN  (resid 60   and name C   ) (resid 61   and name N   )
         (resid 61   and name CA  ) (resid 61   and name C   )  1.00 -129.24 20.76 2
!lowered bound 10 degs
 ASSIGN  (resid 61   and name N   ) (resid 61   and name CA  )
         (resid 61   and name C   ) (resid 62   and name N   )  1.00 142.03 22.03 2

 ASSIGN  (resid 61   and name C   ) (resid 62   and name N   )
         (resid 62   and name CA  ) (resid 62   and name C   )  1.00 -81.56 25.44 2

 ASSIGN  (resid 62   and name N   ) (resid 62   and name CA  )
         (resid 62   and name C   ) (resid 63   and name N   )  1.00 119.48 19.48 2

 ASSIGN  (resid 63   and name C   ) (resid 64   and name N   )
         (resid 64   and name CA  ) (resid 64   and name C   )  1.00 -143.12 36.88 2

 ASSIGN  (resid 64   and name N   ) (resid 64   and name CA  )
         (resid 64   and name C   ) (resid 65   and name N   )  1.00 146.51 26.51 2

 ASSIGN  (resid 64   and name C   ) (resid 65   and name N   )
         (resid 65   and name CA  ) (resid 65   and name C   )  1.00 -121.05 28.95 2

 ASSIGN  (resid 65   and name N   ) (resid 65   and name CA  )
         (resid 65   and name C   ) (resid 66   and name N   )  1.00 129.85 29.85 2

 ASSIGN  (resid 65   and name C   ) (resid 66   and name N   )
         (resid 66   and name CA  ) (resid 66   and name C   )  1.00 -134.91 35.09 2

 ASSIGN  (resid 66   and name N   ) (resid 66   and name CA  )
         (resid 66   and name C   ) (resid 67   and name N   )  1.00 155.44 35.44 2

 ASSIGN  (resid 67   and name C   ) (resid 68   and name N   )
         (resid 68   and name CA  ) (resid 68   and name C   )  1.00 -55.17 24.83 2

 ASSIGN  (resid 68   and name N   ) (resid 68   and name CA  )
         (resid 68   and name C   ) (resid 69   and name N   )  1.00 -33.54 26.46 2

 ASSIGN  (resid 68   and name C   ) (resid 69   and name N   )
         (resid 69   and name CA  ) (resid 69   and name C   )  1.00 -68.99 41.01 2

 ASSIGN  (resid 69   and name N   ) (resid 69   and name CA  )
         (resid 69   and name C   ) (resid 70   and name N   )  1.00 -24.32 45.68 2

 ASSIGN  (resid 69   and name C   ) (resid 70   and name N   )
         (resid 70   and name CA  ) (resid 70   and name C   )  1.00 -64.96 25.04 2

! ASSIGN  (resid 70   and name N   ) (resid 70   and name CA  )
!         (resid 70   and name C   ) (resid 71   and name N   )  1.00 -37.20 52.80 2

 ASSIGN  (resid 70   and name C   ) (resid 71   and name N   )
         (resid 71   and name CA  ) (resid 71   and name C   )  1.00 -61.98 68.02 2

! ASSIGN  (resid 71   and name N   ) (resid 71   and name CA  )
!         (resid 71   and name C   ) (resid 72   and name N   )  1.00 -42.92 67.08 2

!increased 1x
 ASSIGN  (resid 71   and name C   ) (resid 72   and name N   )
         (resid 72   and name CA  ) (resid 72   and name C   )  1.00 -64.35 65.65 2

 ASSIGN  (resid 72   and name N   ) (resid 72   and name CA  )
         (resid 72   and name C   ) (resid 73   and name N   )  1.00 -41.11 28.89 2

 ASSIGN  (resid 72   and name C   ) (resid 73   and name N   )
         (resid 73   and name CA  ) (resid 73   and name C   )  1.00 -58.46 31.54 2

 ASSIGN  (resid 73   and name N   ) (resid 73   and name CA  )
         (resid 73   and name C   ) (resid 74   and name N   )  1.00 -44.45 25.55 2

 ASSIGN  (resid 73   and name C   ) (resid 74   and name N   )
         (resid 74   and name CA  ) (resid 74   and name C   )  1.00 -64.90 25.10 2

 ASSIGN  (resid 74   and name N   ) (resid 74   and name CA  )
         (resid 74   and name C   ) (resid 75   and name N   )  1.00 -44.55 15.45 2

 ASSIGN  (resid 74   and name C   ) (resid 75   and name N   )
         (resid 75   and name CA  ) (resid 75   and name C   )  1.00 -64.31 15.69 2

 ASSIGN  (resid 75   and name N   ) (resid 75   and name CA  )
         (resid 75   and name C   ) (resid 76   and name N   )  1.00 -44.15 25.85 2

 ASSIGN  (resid 75   and name C   ) (resid 76   and name N   )
         (resid 76   and name CA  ) (resid 76   and name C   )  1.00 -55.71 24.29 2

 ASSIGN  (resid 76   and name N   ) (resid 76   and name CA  )
         (resid 76   and name C   ) (resid 77   and name N   )  1.00 -44.99 25.01 2

 ASSIGN  (resid 76   and name C   ) (resid 77   and name N   )
         (resid 77   and name CA  ) (resid 77   and name C   )  1.00 -64.65 25.35 2

 ASSIGN  (resid 77   and name N   ) (resid 77   and name CA  )
         (resid 77   and name C   ) (resid 78   and name N   )  1.00 -43.87 26.13 2

 ASSIGN  (resid 77   and name C   ) (resid 78   and name N   )
         (resid 78   and name CA  ) (resid 78   and name C   )  1.00 -64.63 25.37 2

 ASSIGN  (resid 78   and name N   ) (resid 78   and name CA  )
         (resid 78   and name C   ) (resid 79   and name N   )  1.00 -44.34 25.66 2

 ASSIGN  (resid 78   and name C   ) (resid 79   and name N   )
         (resid 79   and name CA  ) (resid 79   and name C   )  1.00 -64.77 25.23 2

 ASSIGN  (resid 79   and name N   ) (resid 79   and name CA  )
         (resid 79   and name C   ) (resid 80   and name N   )  1.00 -43.90 26.10 2

 ASSIGN  (resid 79   and name C   ) (resid 80   and name N   )
         (resid 80   and name CA  ) (resid 80   and name C   )  1.00 -59.73 30.27 2

 ASSIGN  (resid 80   and name N   ) (resid 80   and name CA  )
         (resid 80   and name C   ) (resid 81   and name N   )  1.00 -43.92 26.08 2

 ASSIGN  (resid 80   and name C   ) (resid 81   and name N   )
         (resid 81   and name CA  ) (resid 81   and name C   )  1.00 -62.04 27.96 2

 ASSIGN  (resid 81   and name N   ) (resid 81   and name CA  )
         (resid 81   and name C   ) (resid 82   and name N   )  1.00 -41.38 28.62 2

 ASSIGN  (resid 81   and name C   ) (resid 82   and name N   )
         (resid 82   and name CA  ) (resid 82   and name C   )  1.00 -76.68 33.32 2

 ASSIGN  (resid 82   and name N   ) (resid 82   and name CA  )
         (resid 82   and name C   ) (resid 83   and name N   )  1.00 -13.35 36.65 2

 ASSIGN  (resid 82   and name C   ) (resid 83   and name N   )
         (resid 83   and name CA  ) (resid 83   and name C   )  1.00  55.64 15.64 2

 ASSIGN  (resid 83   and name N   ) (resid 83   and name CA  )
         (resid 83   and name C   ) (resid 84   and name N   )  1.00  43.50 63.50 2

 ASSIGN  (resid 83   and name C   ) (resid 84   and name N   )
         (resid 84   and name CA  ) (resid 84   and name C   )  1.00 -77.12 42.88 2

 ASSIGN  (resid 84   and name N   ) (resid 84   and name CA  )
         (resid 84   and name C   ) (resid 85   and name N   )  1.00 123.91 23.91 2

 ASSIGN  (resid 84   and name C   ) (resid 85   and name N   )
         (resid 85   and name CA  ) (resid 85   and name C   )  1.00 -91.64 88.36 2

!increased 2x
! ASSIGN  (resid 85   and name N   ) (resid 85   and name CA  )
!         (resid 85   and name C   ) (resid 86   and name N   )  1.00 147.27 67.27 2

! ASSIGN  (resid 85   and name C   ) (resid 86   and name N   )
!         (resid 86   and name CA  ) (resid 86   and name C   )  1.00 -81.35 98.65 2

 ASSIGN  (resid 86   and name N   ) (resid 86   and name CA  )
         (resid 86   and name C   ) (resid 87   and name N   )  1.00 139.71 49.71 2

 ASSIGN  (resid 86   and name C   ) (resid 87   and name N   )
         (resid 87   and name CA  ) (resid 87   and name C   )  1.00 -126.37 43.63 2

! ASSIGN  (resid 87   and name N   ) (resid 87   and name CA  )
!         (resid 87   and name C   ) (resid 88   and name N   )  1.00 145.82 55.82 2

 ASSIGN  (resid 87   and name C   ) (resid 88   and name N   )
         (resid 88   and name CA  ) (resid 88   and name C   )  1.00 -114.84 55.16 2

 ASSIGN  (resid 88   and name N   ) (resid 88   and name CA  )
         (resid 88   and name C   ) (resid 89   and name N   )  1.00 125.69 25.69 2

 ASSIGN  (resid 88   and name C   ) (resid 89   and name N   )
         (resid 89   and name CA  ) (resid 89   and name C   )  1.00 -123.59 26.41 2
!lowered 10 degs
 ASSIGN  (resid 89   and name N   ) (resid 89   and name CA  )
         (resid 89   and name C   ) (resid 90   and name N   )  1.00 131.48 21.48 2
!lowered 10 degs
 ASSIGN  (resid 89   and name C   ) (resid 90   and name N   )
         (resid 90   and name CA  ) (resid 90   and name C   )  1.00 -121.24 28.76 2

 ASSIGN  (resid 90   and name N   ) (resid 90   and name CA  )
         (resid 90   and name C   ) (resid 91   and name N   )  1.00 134.00 34.00 2

 ASSIGN  (resid 90   and name C   ) (resid 91   and name N   )
         (resid 91   and name CA  ) (resid 91   and name C   )  1.00 -123.06 26.94 2

 ASSIGN  (resid 91   and name N   ) (resid 91   and name CA  )
         (resid 91   and name C   ) (resid 92   and name N   )  1.00 125.65 25.65 2

 ASSIGN  (resid 91   and name C   ) (resid 92   and name N   )
         (resid 92   and name CA  ) (resid 92   and name C   )  1.00 -128.18 41.82 2

 ASSIGN  (resid 92   and name N   ) (resid 92   and name CA  )
         (resid 92   and name C   ) (resid 93   and name N   )  1.00 138.53 38.53 2

!!!!!!!!!!!!!!!!!
!!!Chi1 angles!!!
!!!!!!!!!!!!!!!!!
 ASSIGN  (resid 3   and name N   )  (resid 3   and name CA  )
         (resid 3   and name CB   ) (resid 3   and name CG   )  1.00 -62.2 40.00 2
 ASSIGN  (resid 6   and name N   )  (resid 6   and name CA  )
         (resid 6   and name CB   ) (resid 6   and name CG   )  1.00 -70.2 40.00 2
 ASSIGN  (resid 8   and name N   )  (resid 8   and name CA  )
         (resid 8   and name CB   ) (resid 8   and name CG   )  1.00 -68.4 40.00 2
 ASSIGN  (resid 9   and name N   )  (resid 9   and name CA  )
         (resid 9   and name CB   ) (resid 9   and name CG   )  1.00 -68.0 40.00 2
 ASSIGN  (resid 10   and name N   )  (resid 10   and name CA  )
         (resid 10   and name CB   ) (resid 10   and name CG   ) 1.00 -66.0 40.00 2
 ASSIGN  (resid 11   and name N   )  (resid 11   and name CA  )
         (resid 11   and name CB   ) (resid 11   and name CG   ) 1.00 -78.8 40.00 2
 ASSIGN  (resid 13   and name N   )  (resid 13   and name CA  )
         (resid 13   and name CB   ) (resid 13   and name CG   ) 1.00 -68.1 40.00 2 
!inc 1x 
ASSIGN  (resid 14   and name N   )  (resid 14   and name CA  )
         (resid 14   and name CB   ) (resid 14   and name CG   ) 1.00 -73.2 45.00 2
 ASSIGN  (resid 16   and name N   )  (resid 16   and name CA  )
         (resid 16   and name CB   ) (resid 16   and name CG   ) 1.00 177.4 40.00 2
 ASSIGN  (resid 17   and name N   )  (resid 17   and name CA  )
         (resid 17   and name CB   ) (resid 17   and name CG   ) 1.00 -71.1 40.00 2
 ASSIGN  (resid 18   and name N   )  (resid 18   and name CA  )
         (resid 18   and name CB   ) (resid 18   and name CG   ) 1.00 -75.7 40.00 2
 ASSIGN  (resid 20   and name N   )  (resid 20   and name CA  )
         (resid 20   and name CB   ) (resid 20   and name CG   ) 1.00 -68.2 40.00 2
 ASSIGN  (resid 29   and name N   )  (resid 29   and name CA  )
         (resid 29   and name CB   ) (resid 29   and name CG   ) 1.00 -61.2 40.00 2
 ASSIGN  (resid 31   and name N   )  (resid 31   and name CA  )
         (resid 31   and name CB   ) (resid 31   and name CG   ) 1.00 -66.1 60.00 2
!consistently violated
! ASSIGN  (resid 34   and name N   )  (resid 34   and name CA  )
!         (resid 34   and name CB   ) (resid 34   and name CG   ) 1.00 -77.7 60.00 2
 ASSIGN  (resid 36   and name N   )  (resid 36   and name CA  )
         (resid 36   and name CB   ) (resid 36   and name CG   ) 1.00 174.7 40.00 2
 ASSIGN  (resid 40   and name N   )  (resid 40   and name CA  )
         (resid 40   and name CB   ) (resid 40   and name CG   ) 1.00 66.7 40.00 2
 ASSIGN  (resid 41   and name N   )  (resid 41   and name CA  )
         (resid 41   and name CB   ) (resid 41   and name CG   ) 1.00 59.8 40.00 2
!increased bound 3x
ASSIGN  (resid 42   and name N   )  (resid 42   and name CA  )
         (resid 42   and name CB   ) (resid 42   and name CG   ) 1.00 -66.7 63.00 2
 ASSIGN  (resid 47   and name N   )  (resid 47   and name CA  )
         (resid 47   and name CB   ) (resid 47   and name CG   ) 1.00 -59.9 40.00 2
 ASSIGN  (resid 54   and name N   )  (resid 54   and name CA  )
         (resid 54   and name CB   ) (resid 54   and name CG   ) 1.00 -66.9 60.00 2
 ASSIGN  (resid 56   and name N   )  (resid 56   and name CA  )
         (resid 56   and name CB   ) (resid 56   and name CG   ) 1.00 -56.2 40.00 2
 ASSIGN  (resid 57   and name N   )  (resid 57   and name CA  )
         (resid 57   and name CB   ) (resid 57   and name CG   ) 1.00 -68.3 40.00 2
 ASSIGN  (resid 58   and name N   )  (resid 58   and name CA  )
         (resid 58   and name CB   ) (resid 58   and name CG   ) 1.00 -174.5 40.00 2
 ASSIGN  (resid 59   and name N   )  (resid 59   and name CA  )
         (resid 59   and name CB   ) (resid 59   and name CG   ) 1.00 -60.1 40.00 2
 ASSIGN  (resid 64   and name N   )  (resid 64   and name CA  )
         (resid 64   and name CB   ) (resid 64   and name CG   ) 1.00 -175.4 40.00 2
 ASSIGN  (resid 66   and name N   )  (resid 66   and name CA  )
         (resid 66   and name CB   ) (resid 66   and name CG   ) 1.00 61.2 40.00 2
 ASSIGN  (resid 71   and name N   )  (resid 71   and name CA  )
         (resid 71   and name CB   ) (resid 71   and name CG   ) 1.00 66.3 40.00 2
 ASSIGN  (resid 72   and name N   )  (resid 72   and name CA  )
         (resid 72   and name CB   ) (resid 72   and name CG   ) 1.00 174.9 40.00 2
 ASSIGN  (resid 74   and name N   )  (resid 74   and name CA  )
         (resid 74   and name CB   ) (resid 74   and name CG   ) 1.00 -74.0 40.00 2
 ASSIGN  (resid 75   and name N   )  (resid 75   and name CA  )
         (resid 75   and name CB   ) (resid 75   and name CG   ) 1.00 -67.0 40.00 2
 ASSIGN  (resid 77   and name N   )  (resid 77   and name CA  )
         (resid 77   and name CB   ) (resid 77   and name CG   ) 1.00 -75.1 40.00 2
 ASSIGN  (resid 78   and name N   )  (resid 78   and name CA  )
         (resid 78   and name CB   ) (resid 78   and name CG   ) 1.00 -74.6 40.00 2
 ASSIGN  (resid 79   and name N   )  (resid 79   and name CA  )
         (resid 79   and name CB   ) (resid 79   and name CG   ) 1.00 -65.5 40.00 2
 ASSIGN  (resid 80   and name N   )  (resid 80   and name CA  )
         (resid 80   and name CB   ) (resid 80   and name CG   ) 1.00 -69.6 40.00 2
 ASSIGN  (resid 82   and name N   )  (resid 82   and name CA  )
         (resid 82   and name CB   ) (resid 82   and name CG   ) 1.00 -71.3 40.00 2
 ASSIGN  (resid 84   and name N   )  (resid 84   and name CA  )
         (resid 84   and name CB   ) (resid 84   and name CG   ) 1.00 -63.6 40.00 2
 ASSIGN  (resid 89   and name N   )  (resid 89   and name CA  )
         (resid 89   and name CB   ) (resid 89   and name CG   ) 1.00 -62.2 40.00 2
 ASSIGN  (resid 91   and name N   )  (resid 91   and name CA  )
         (resid 91   and name CB   ) (resid 91   and name CG   ) 1.00 -56.2 40.00 2

# Restraints file 3: wr_distILB.tbl
!!VIOLATIONS!!
!ASSI { 103} (resid 54 and name HZ3) (resid 20 and name HB2) 3.465 0.693 1.346 peak 103 weight 1.00000E+00 volume 1.15539E+06 ppm1 7.012 ppm2 1.717
!ASSI  {  1575}  (resid  25  and  name  HA1)   (resid  43  and  name  HA)    3.398  1.019  1.019  peak  1575  weight  1.00000E+00  volume  5.68823E+03   ppm1  4.360   ppm2  3.965
!ASSI { 11} (resid 66 and name HZ) (resid 66 and name HE#) 2.323 0.520 2.632 peak 11 weight 1.00000E+00 volume 2.07520E+06 ppm1 6.401 ppm2 6.685
!ASSI { 2045} (resid 78 and name HB1) (resid 77 and name HD21) 2.971 0.891 1.891 peak 2045 weight 1.00000E+00 volume 2.56872E+05 ppm1 2.226 ppm2 6.795
!ASSI { 1031} (resid 91 and name HG2#) (resid 93 and name HE22) 2.717 0.815 2.315 peak 1031 weight 1.00000E+00 volume 4.38866E+05 ppm1 1.095 ppm2 6.686
!ASSI { 1049} (resid 93 and name HA) (resid 91 and name HD1#) 2.840 0.852 2.352 peak 1049 weight 1.00000E+00 volume 3.36916E+05 ppm1 0.851 ppm2 3.742
!increased 1.1A!!REMOVED!!
!ASSI  {  106}  (resid  56  and  name  HB)    (resid  54  and  name  HH2)   3.327  0.665  1.433  peak  106  weight  1.00000E+00  volume  1.47431E+06  ppm1  6.950  ppm2  1.852
!ASSI  {  1574}  (resid  25  and  name  HA2)   (resid  43  and  name  HA)    3.093  0.928  0.928  peak  1574  weight  1.00000E+00  volume  1.49950E+04   ppm1  3.387   ppm2  3.973
!ASSI { 251} (resid 77 and name HD21) (resid 78 and name HB2) 2.953 0.886 1.886 peak 251 weight 1.00000E+00 volume 2.66359E+05 ppm1 3.085 ppm2 6.821
!inc bound
!ASSI { 443} (resid 48 and name HN) (resid 68 and name HB1) 2.232 0.512 2.6 peak 443 weight 1.00000E+00 volume 3.16693E+06 ppm1 8.298 ppm2 2.468
!ASSI { 1258} (resid 45 and name HD#) (resid 69 and name HD2) 3.025 0.908 4.308 peak 1258 weight 1.00000E+00 volume 2.30414E+05 ppm1 1.949 ppm2 7.023
!ASSI { 1259} (resid 45 and name HD#) (resid 69 and name HD1) 3.092 0.928 4.328 peak 1259 weight 1.00000E+00 volume 2.02191E+05 ppm1 1.853 ppm2 7.026
!ASSI { 105} (resid 56 and name HG12) (resid 54 and name HH2) 3.258 0.652 1.326 peak 105 weight 1.00000E+00 volume 1.67112E+06 ppm1 6.949 ppm2 1.947
!ASSI { 1035} (resid 56 and name HA) (resid 91 and name HG2#) 2.791 0.837 2.337 peak 1035 weight 1.00000E+00 volume 3.74175E+05 ppm1 1.095 ppm2 4.855
!increased bound
!ASSI { 1554} (resid 88 and name HA) (resid 87 and name HB1) 2.499 0.750 2.3 peak 1554 weight 1.00000E+00 volume 5.33249E+03 ppm1 2.245 ppm2 4.464
!ASSI { 1050} (resid 90 and name HA) (resid 91 and name HD1#) 3.141 0.942 2.442 peak 1050 weight 1.00000E+00 volume 1.83911E+05 ppm1 0.851 ppm2 4.673
!ASSI { 664} (resid 47 and name HG2#) (resid 25 and name HN) 3.634 1.090 2.866 peak 664 weight 1.00000E+00 volume -4.55332E+03 ppm1 8.453 ppm2 1.017
!ASSI { 659} (resid 45 and name HB1) (resid 25 and name HN) 3.006 0.902 2.203 peak 659 weight 1.00000E+00 volume 5.30628E+05 ppm1 8.454 ppm2 2.844
!ASSI  {  562}   (resid  28  and  name  HA)    (resid  39  and  name  HG1)   2.925  0.877  0.877  peak  562   weight  1.00000E+00  volume  2.13445E+04   ppm1  4.668   ppm2  1.162
!ASSI { 1122} (resid 84 and name HD1#) (resid 61 and name HG1) 2.978 0.893 3.393 peak 1122 weight 1.00000E+00 volume 2.97342E+04 ppm1 0.750 ppm2 2.223


!!Data is there, but this messes up the hairpin!!
!only options are 27 and 79 **ALL BELOW**
!ASSI { 814} (resid 27 and name HD1#) (resid 29 and name HD1#) 2.228 0.508 3.968 peak 814 weight 1.00000E+00 volume 3.47329E+05 ppm1 0.685 ppm2 0.385
!ASSI { 675} (resid 72 and name HG1#) (resid 27 and name HD1#) 2.952 0.886 2.286 peak 675 weight 1.00000E+00 volume 2.75423E+04 ppm1 1.111 ppm2 0.397
!ASSI { 666} (resid 72 and name HG2#) (resid 27 and name HD1#) 3.008 0.902 2.302 peak 666 weight 1.00000E+00 volume 2.38748E+05 ppm1 0.966 ppm2 0.344
!!!only options were 27 and 82HG not sure if this is real or bending this strand!!!
!ASSI { 1710} (resid 72 and name HG2#) (resid 27 and name HD2#) 2.896 0.869 2.269 peak 1710 weight 1.00000E+00 volume 3.31160E+04 ppm1 0.966 ppm2 0.574

!ASSI { 807} (resid 16 and name HG1#) (resid 29 and name HG) 2.815 0.844 1.844 peak 807 weight 1.00000E+00 volume 3.55422E+05 ppm1 1.539 ppm2 1.165
!ASSI { 208} (resid 36 and name HB1) (resid 32 and name HB1) 2.841 0.852 2.852 peak 208 weight 1.00000E+00 volume 3.36061E+05 ppm1 2.783 ppm2 1.584
!ASSI { 211} (resid 36 and name HB1) (resid 32 and name HB2) 2.808 0.843 2.843 peak 211 weight 1.00000E+00 volume 2.98669E+04 ppm1 2.512 ppm2 1.584
!(resid 29 and name HD2#)
!ASSI  {  2079}  (resid  84  and  name  HB)    (resid  36  and  name  HA)    2.812  0.844  0.844  peak  2079  weight  1.00000E+00  volume  2.54023E+04   ppm1  4.710   ppm2  1.804
!ASSI { 208} (resid 37 and name HD1) (resid 32 and name HB1) 
!OR    {  208}   (resid  37  and  name  HD2)   (resid  32  and  name  HB1)
!ASSI { 210} (resid 37 and name HG2) (resid 32 and name HB2) 2.958 0.887 2.887 peak 210 weight 1.00000E+00 volume 2.63582E+05 ppm1 2.514 ppm2 1.299
!ASSI { 211} (resid 37 and name HD2) (resid 32 and name HB2) 
!OR    {  211}   (resid  37  and  name  HD1)   (resid  32  and  name  HB2)


!!TESTING AREA!!
!ASSI { 158} (resid 53 and name HB2) (resid 67 and name HA) 3.388 1.016 2.016 peak 158 weight 1.00000E+00 volume 7.15267E+03 ppm1 5.684 ppm2 2.051
!ASSI { 627} (resid 53 and name HB1) (resid 65 and name HG2#) 3.444 1.033 3.533 peak 627 weight 1.00000E+00 volume 2.46483E+04 ppm1 0.934 ppm2 2.516
!ASSI { 629} (resid 53 and name HB2) (resid 65 and name HG2#) 2.281 0.561 3.184 peak 629 weight 1.00000E+00 volume 1.25512E+06 ppm1 0.935 ppm2 2.072


!!THESE MAKE SENSE!!
ASSI { 885} (resid 31 and name HN) (resid 13 and name HG2#) 3.406 0.942 2.863 peak 885 weight 1.00000E+00 volume 2.50710E+05 ppm1 8.387 ppm2 0.754
ASSI { 575} (resid 32 and name HN) (resid 31 and name HB2) 2.839 0.772 2.136 peak 575 weight 1.00000E+00 volume 8.07578E+03 ppm1 9.196 ppm2 2.076
!this keeps getting violated take out, see what happens:dihed viols go crazy   increase bound to 5.5:
ASSI { 107} (resid 54 and name HH2) (resid 27 and name HB2) 3.484 0.617 2.0 peak 107 weight 1.00000E+00 volume 1.11748E+06 ppm1 6.950 ppm2 1.720
ASSI { 644} (resid 72 and name HG1#) (resid 27 and name HD2#) 2.637 0.711 2.191 peak 644 weight 1.00000E+00 volume 6.04105E+04 ppm1 1.110 ppm2 0.628
ASSI { 82} (resid 25 and name HA1) (resid 26 and name HB1) 3.499 0.97 1.05 peak 82 weight 1.00000E+00 volume 9.62094E+04 ppm1 4.356 ppm2 1.621
ASSI { 816} (resid 29 and name HD1#) (resid 17 and name HA) 3.521 0.976 1.456 peak 816 weight 1.00000E+00 volume 1.67322E+04 ppm1 0.686 ppm2 4.506
ASSI { 827} (resid 29 and name HD2#) (resid 17 and name HA) 3.312 0.914 1.394 peak 827 weight 1.00000E+00 volume 8.85368E+03 ppm1 0.728 ppm2 4.507
!(resid 47 and name HG12)
ASSI { 443} (resid 69 and name HG2) (resid 70 and name HA) 2.760 0.748 1.828 peak 443 weight 1.00000E+00 volume 3.99462E+05 ppm1 4.446 ppm2 1.757
!(resid 20 and name HB2)
ASSI { 821} (resid 16 and name HG1#) (resid 29 and name HD2#) 2.464 0.659 2.639 peak 821 weight 1.00000E+00 volume 1.00742E+05 ppm1 0.730 ppm2 1.172
ASSI { 2081} (resid 84 and name HD1#) (resid 36 and name HG) 2.207 0.407 3.062 peak 2081 weight 1.00000E+00 volume 1.52898E+06 ppm1 1.536 ppm2 0.730
!OR    {  2081}  (resid 29 and name HD2#)  (resid  36  and  name  HG)
ASSI { 591} (resid 30 and name HB2) (resid 31 and name HN) 2.301 0.501 1.921 peak 591 weight 1.00000E+00 volume -1.92942E+04 ppm1 8.388 ppm2 3.766
ASSI { 507} (resid 41 and name HN) (resid 27 and name HB2) 2.599 0.7 2.04 peak 507 weight 1.00000E+00 volume 1.27035E+06 ppm1 8.575 ppm2 1.741
OR  { 507} (resid 41 and name HN) (resid 26 and name HB2)
ASSI { 1465} (resid 41 and name HB2) (resid 26 and name HD2) 2.830 0.769 2.249 peak 1465 weight 1.00000E+00 volume 2.89296E+04 ppm1 1.522 ppm2 3.767
ASSI { 2018} (resid 41 and name HB2) (resid 26 and name HE2) 3.330 0.919 1.7 peak 2018 weight 1.00000E+00 volume 2.30080E+04 ppm1 2.880 ppm2 3.752
ASSI { 71} (resid 25 and name HA2) (resid 22 and name HE1) 3.292 0.907 1.987 peak 71 weight 1.00000E+00 volume 3.33125E+04 ppm1 3.377 ppm2 3.204
ASSI { 72} (resid 25 and name HA2) (resid 22 and name HE2) 2.873 0.782 1.862 peak 72 weight 1.00000E+00 volume 3.14363E+05 ppm1 3.379 ppm2 3.053
ASSI { 74} (resid 25 and name HA1) (resid 22 and name HE1) 2.846 0.774 1.854 peak 74 weight 1.00000E+00 volume 4.21471E+04 ppm1 4.356 ppm2 3.187
ASSI { 75} (resid 25 and name HA1) (resid 22 and name HE1) 2.681 0.724 1.804 peak 75 weight 1.00000E+00 volume 4.06075E+04 ppm1 4.354 ppm2 3.062



!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!!Aromatic to Aromatic added from 150ms NOESY!!
ASSI { 268} (resid 54 and name HD1) (resid 52 and name HB2) 4.144 1.578 1.414 peak 268 weight 1.00000E+00 volume 4.78007E+05 ppm1 6.626 ppm2 1.406
ASSI { 89} (resid 54 and name HB2) (resid 66 and name HE#) 4.035 1.534 3.804 peak 89 weight 1.00000E+00 volume 5.61000E+05 ppm1 6.687 ppm2 2.230
OR    {  89}   (resid  64  and  name  HB1)   (resid  66  and  name  HE#)
ASSI { 227} (resid 54 and name HZ2) (resid 66 and name HZ) 4.247 1.619 0.425 peak 227 weight 1.00000E+00 volume 4.13000E+05 ppm1 6.402 ppm2 7.120
ASSI { 162} (resid 54 and name HD1) (resid 67 and name HA) 4.331 1.652 0.433 peak 162 weight 1.00000E+00 volume 3.67000E+05 ppm1 6.626 ppm2 5.680
!ASSI { 90} (resid 64 and name HB1) (resid 66 and name HZ) 4.260 1.704 1.426 peak 90 weight 1.00000E+00 volume 4.05000E+05 ppm1 6.400 ppm2 2.220
ASSI { 299} (resid 66 and name HE#) (resid 54 and name HZ2) 4.029 0.726 2.4 peak 299 weight 1.00000E+00 volume 6.66845E+05 ppm1 6.687 ppm2 7.121
ASSI { 297} (resid 66 and name HE#) (resid 54 and name HZ3) 3.725 0.665 2.4 peak 297 weight 1.00000E+00 volume 1.06716E+06 ppm1 6.686 ppm2 7.016
OR    {  297}  (resid  66  and  name  HE#)   (resid  64  and  name  HD#)
!ASSI { 287} (resid 64 and name HE#) (resid 54 and name HH2) 2.859 0.572 2.4 peak 287 weight 1.00000E+00 volume 5.21783E+06 ppm1 6.786 ppm2 6.937
ASSI { 230} (resid 66 and name HZ) (resid 54 and name HZ2) 5.000 0.92 0.000 peak 230 weight 1.00000E+00 volume 1.54000E+05 ppm1 7.128 ppm2 6.400


!!2D50ms!!
ASSI { 95} (resid 20 and name HD1#) (resid 54 and name HZ3) 3.657 0.651 2.766 peak 95 weight 1.00000E+00 volume 1.62376E+05 ppm1 7.010 ppm2 0.004
ASSI { 97} (resid 20 and name HD1#) (resid 54 and name HE3) 3.103 0.541 2.71 peak 97 weight 1.00000E+00 volume 2.23919E+06 ppm1 7.361 ppm2 -0.000
ASSI { 20} (resid 20 and name HD1#) (resid 66 and name HE#) 3.018 0.524 5.102 peak 20 weight 1.00000E+00 volume 2.64322E+06 ppm1 6.686 ppm2 0.001
ASSI { 34} (resid 20 and name HD1#) (resid 66 and name HD#) 3.602 0.64 5.16 peak 34 weight 1.00000E+00 volume 9.14844E+05 ppm1 6.940 ppm2 0.004
ASSI { 47} (resid 27 and name HD2#) (resid 64 and name HE#) 3.349 0.59 5.135 peak 47 weight 1.00000E+00 volume 2.65948E+05 ppm1 6.780 ppm2 0.619
OR    {  47}   (resid  64  and  name  HE#)   (resid  29  and  name  HD1#)
ASSI { 48} (resid 27 and name HD2#) (resid 64 and name HD#) 2.809 0.482 5.081 peak 48 weight 1.00000E+00 volume 4.06421E+06 ppm1 7.017 ppm2 0.622
ASSI { 18} (resid 27 and name HD1#) (resid 66 and name HE#) 2.993 0.519 5.099 peak 18 weight 1.00000E+00 volume 2.77939E+06 ppm1 6.684 ppm2 0.393
OR    {  18}   (resid  79  and  name  HD1#)  (resid  66  and  name  HE#)
ASSI { 75} (resid 45 and name HE#) (resid 45 and name HD#) 2.198 0.36 5.02 peak 75 weight 1.00000E+00 volume 5.13090E+06 ppm1 6.860 ppm2 7.051
ASSI { 79} (resid 45 and name HD#) (resid 45 and name HB1) 2.992 0.518 3.699 peak 79 weight 1.00000E+00 volume 4.58300E+05 ppm1 7.055 ppm2 2.820
ASSI { 80} (resid 45 and name HD#) (resid 45 and name HB2) 2.947 0.509 3.695 peak 80 weight 1.00000E+00 volume 5.05214E+05 ppm1 7.053 ppm2 3.262
ASSI { 64} (resid 49 and name HE#) (resid 49 and name HD#) 2.295 0.379 5.03 peak 64 weight 1.00000E+00 volume 2.52419E+06 ppm1 6.921 ppm2 7.213
ASSI { 77} (resid 49 and name HD#) (resid 49 and name HB2) 3.319 0.584 3.732 peak 77 weight 1.00000E+00 volume 2.55108E+05 ppm1 7.216 ppm2 3.491
ASSI { 78} (resid 49 and name HD#) (resid 49 and name HB1) 3.008 0.522 3.701 peak 78 weight 1.00000E+00 volume 2.69749E+06 ppm1 7.218 ppm2 2.852
ASSI { 108} (resid 54 and name HH2) (resid 16 and name HG1#) 2.950 0.51 1.295 peak 108 weight 1.00000E+00 volume 5.11666E+05 ppm1 6.950 ppm2 1.175
ASSI { 88} (resid 54 and name HZ2) (resid 54 and name HH2) 2.354 0.391 0.235 peak 88 weight 1.00000E+00 volume 1.85380E+06 ppm1 7.123 ppm2 6.955
ASSI { 90} (resid 54 and name HZ3) (resid 54 and name HE3) 2.396 0.399 0.240 peak 90 weight 1.00000E+00 volume 1.70405E+06 ppm1 7.010 ppm2 7.360
ASSI { 92} (resid 54 and name HH2) (resid 54 and name HZ3) 2.113 0.313 0.211 peak 92 weight 1.00000E+00 volume 1.78402E+06 ppm1 7.013 ppm2 6.949
ASSI { 100} (resid 54 and name HE3) (resid 54 and name HB2) 3.261 0.572 1.326 peak 100 weight 1.00000E+00 volume 2.79010E+05 ppm1 7.356 ppm2 2.173
ASSI { 126} (resid 54 and name HZ2) (resid 91 and name HG2#) 2.509 0.422 1.751 peak 126 weight 1.00000E+00 volume 8.01254E+06 ppm1 7.123 ppm2 1.104
ASSI { 119} (resid 54 and name HZ2) (resid 92 and name HA) 3.093 0.539 0.309 peak 119 weight 1.00000E+00 volume 5.12326E+05 ppm1 7.123 ppm2 5.004
ASSI { 102} (resid 54 and name HE3) (resid 93 and name HB1) 3.468 0.614 1.347 peak 102 weight 1.00000E+00 volume 1.14800E+06 ppm1 7.357 ppm2 1.006
ASSI { 120} (resid 56 and name HG11) (resid 54 and name HZ3) 3.361 0.592 1.336 peak 120 weight 1.00000E+00 volume 2.14371E+05 ppm1 7.012 ppm2 1.187
ASSI { 43} (resid 56 and name HG12) (resid 64 and name HD#) 2.941 0.508 3.694 peak 43 weight 1.00000E+00 volume 3.08859E+06 ppm1 7.014 ppm2 1.941
ASSI { 83} (resid 57 and name HE#) (resid 55 and name HA2) 2.847 0.489 2.685 peak 83 weight 1.00000E+00 volume 6.05948E+05 ppm1 7.213 ppm2 3.220
ASSI { 110} (resid 57 and name HE#) (resid 55 and name HA1) 3.560 0.632 2.756 peak 110 weight 1.00000E+00 volume 1.72292E+05 ppm1 7.214 ppm2 5.131
ASSI { 74} (resid 57 and name HE#) (resid 56 and name HA) 3.101 0.54 2.71 peak 74 weight 1.00000E+00 volume 2.24740E+06 ppm1 7.217 ppm2 4.845
OR    {  74}   (resid  57  and  name  HE#)   (resid  61  and  name  HA)
ASSI { 86} (resid 57 and name HD#) (resid 56 and name HA) 3.086 0.537 2.709 peak 86 weight 1.00000E+00 volume 4.35723E+05 ppm1 7.056 ppm2 4.832
ASSI { 56} (resid 57 and name HD#) (resid 57 and name HE#) 2.145 0.345 5.015 peak 56 weight 1.00000E+00 volume 3.34528E+06 ppm1 7.061 ppm2 7.211
ASSI { 58} (resid 57 and name HD#) (resid 57 and name HB2) 2.636 0.447 3.664 peak 58 weight 1.00000E+00 volume 1.09874E+06 ppm1 7.060 ppm2 2.504
ASSI { 59} (resid 57 and name HD#) (resid 57 and name HB1) 2.570 0.434 3.657 peak 59 weight 1.00000E+00 volume 1.16473E+06 ppm1 7.062 ppm2 3.173
ASSI { 66} (resid 57 and name HE#) (resid 57 and name HZ) 1.944 0.144 2.594 peak 66 weight 1.00000E+00 volume 5.69232E+06 ppm1 7.214 ppm2 7.282
ASSI { 67} (resid 57 and name HD#) (resid 57 and name HZ) 2.527 0.425 2.653 peak 67 weight 1.00000E+00 volume 1.18722E+06 ppm1 7.060 ppm2 7.280
ASSI { 84} (resid 57 and name HD#) (resid 57 and name HA) 3.315 0.583 2.732 peak 84 weight 1.00000E+00 volume 2.82670E+05 ppm1 7.059 ppm2 5.400
ASSI { 60} (resid 57 and name HD#) (resid 62 and name HB2) 2.909 0.502 3.691 peak 60 weight 1.00000E+00 volume 5.28837E+05 ppm1 7.060 ppm2 1.255
ASSI { 115} (resid 57 and name HE#) (resid 62 and name HD2) 3.276 0.575 3.728 peak 115 weight 1.00000E+00 volume 2.44936E+05 ppm1 7.217 ppm2 1.425
ASSI { 116} (resid 57 and name HZ) (resid 62 and name HD2) 3.270 0.574 1.327 peak 116 weight 1.00000E+00 volume 2.42603E+05 ppm1 7.278 ppm2 1.433
ASSI { 85} (resid 57 and name HD#) (resid 91 and name HA) 3.727 0.665 2.773 peak 85 weight 1.00000E+00 volume 1.72985E+05 ppm1 7.060 ppm2 5.572
ASSI { 61} (resid 57 and name HE#) (resid 92 and name HD2) 2.669 0.454 3.667 peak 61 weight 1.00000E+00 volume 8.77851E+05 ppm1 7.211 ppm2 1.258
ASSI { 62} (resid 57 and name HE#) (resid 92 and name HG2) 2.993 0.519 3.699 peak 62 weight 1.00000E+00 volume 4.04798E+05 ppm1 7.213 ppm2 1.144
ASSI { 63} (resid 57 and name HE#) (resid 94 and name HG2#) 2.526 0.425 4.153 peak 63 weight 1.00000E+00 volume 1.42474E+06 ppm1 7.213 ppm2 0.924
ASSI { 42} (resid 64 and name HE#) (resid 54 and name HB2) 2.977 0.515 3.698 peak 42 weight 1.00000E+00 volume 2.87336E+06 ppm1 6.782 ppm2 2.235
ASSI { 44} (resid 64 and name HD#) (resid 56 and name HB) 2.950 0.51 2.695 peak 44 weight 1.00000E+00 volume 3.03431E+06 ppm1 7.016 ppm2 1.859
ASSI { 46} (resid 64 and name HE#) (resid 56 and name HD1#) 3.271 0.574 4.227 peak 46 weight 1.00000E+00 volume 2.80492E+05 ppm1 6.781 ppm2 0.908
ASSI { 49} (resid 64 and name HD#) (resid 56 and name HD1#) 2.549 0.43 4.155 peak 49 weight 1.00000E+00 volume 7.27877E+06 ppm1 7.019 ppm2 0.905
ASSI { 54} (resid 64 and name HE#) (resid 56 and name HG2#) 3.442 0.608 4.244 peak 54 weight 1.00000E+00 volume 1.20270E+06 ppm1 6.782 ppm2 0.798
ASSI { 35} (resid 64 and name HD#) (resid 64 and name HB2) 2.500 0.42 3.65 peak 35 weight 1.00000E+00 volume 8.19305E+06 ppm1 7.019 ppm2 2.171
ASSI { 36} (resid 64 and name HD#) (resid 64 and name HB1) 2.786 0.477 3.679 peak 36 weight 1.00000E+00 volume 4.27793E+06 ppm1 7.025 ppm2 3.402
ASSI { 37} (resid 64 and name HD#) (resid 64 and name HE#) 2.184 0.357 5.018 peak 37 weight 1.00000E+00 volume 1.39122E+07 ppm1 7.022 ppm2 6.782
ASSI { 114} (resid 64 and name HE#) (resid 65 and name HB) 3.532 0.626 2.753 peak 114 weight 1.00000E+00 volume 2.00212E+05 ppm1 6.780 ppm2 3.762
ASSI { 10} (resid 66 and name HZ) (resid 20 and name HD1#) 3.191 0.558 2.719 peak 10 weight 1.00000E+00 volume 3.15255E+05 ppm1 6.401 ppm2 -0.001
ASSI { 8} (resid 66 and name HZ) (resid 27 and name HD1#) 2.972 0.514 2.697 peak 8 weight 1.00000E+00 volume 2.89950E+06 ppm1 6.401 ppm2 0.405
OR    {  8}    (resid  66  and  name  HZ)    (resid  79  and  name  HD1#)
ASSI { 15} (resid 66 and name HE#) (resid 56 and name HG12) 3.291 0.578 3.729 peak 15 weight 1.00000E+00 volume 2.47135E+05 ppm1 6.684 ppm2 1.938
ASSI { 118} (resid 66 and name HE#) (resid 56 and name HG11) 3.433 0.607 3.743 peak 118 weight 1.00000E+00 volume 1.73927E+05 ppm1 6.685 ppm2 1.221
ASSI { 39} (resid 66 and name HB1) (resid 64 and name HE#) 2.778 0.476 3.678 peak 39 weight 1.00000E+00 volume 7.78568E+05 ppm1 6.780 ppm2 3.188
ASSI { 40} (resid 66 and name HB2) (resid 64 and name HE#) 3.127 0.545 3.713 peak 40 weight 1.00000E+00 volume 3.59145E+05 ppm1 6.779 ppm2 2.963
ASSI { 87} (resid 66 and name HD#) (resid 64 and name HE#) 2.522 0.424 5.052 peak 87 weight 1.00000E+00 volume 7.37968E+05 ppm1 6.943 ppm2 6.779
ASSI { 12} (resid 66 and name HZ) (resid 66 and name HD#) 3.420 0.604 2.742 peak 12 weight 1.00000E+00 volume 2.00382E+05 ppm1 6.401 ppm2 6.941
ASSI { 14} (resid 66 and name HE#) (resid 66 and name HD#) 2.334 0.387 5.033 peak 14 weight 1.00000E+00 volume 1.23725E+07 ppm1 6.686 ppm2 6.945
ASSI { 26} (resid 66 and name HD#) (resid 66 and name HB1) 2.713 0.463 3.671 peak 26 weight 1.00000E+00 volume 5.01211E+06 ppm1 6.939 ppm2 3.183
ASSI { 27} (resid 66 and name HD#) (resid 66 and name HB2) 2.707 0.461 3.671 peak 27 weight 1.00000E+00 volume 5.08376E+06 ppm1 6.938 ppm2 2.958
ASSI { 104} (resid 66 and name HD#) (resid 66 and name HA) 2.818 0.484 2.682 peak 104 weight 1.00000E+00 volume 3.98717E+06 ppm1 6.950 ppm2 5.004
ASSI { 6} (resid 66 and name HZ) (resid 72 and name HG1#) 3.296 0.579 1.33 peak 6 weight 1.00000E+00 volume 2.99990E+05 ppm1 6.399 ppm2 1.103
ASSI { 21} (resid 66 and name HE#) (resid 75 and name HG2#) 3.474 0.615 4.247 peak 21 weight 1.00000E+00 volume 1.93498E+05 ppm1 6.682 ppm2 0.240
ASSI { 29} (resid 66 and name HE#) (resid 75 and name HD1#) 3.302 0.58 4.23 peak 29 weight 1.00000E+00 volume 2.41300E+05 ppm1 6.686 ppm2 0.792
ASSI { 30} (resid 66 and name HD#) (resid 75 and name HD1#) 2.666 0.453 4.167 peak 30 weight 1.00000E+00 volume 9.63808E+05 ppm1 6.938 ppm2 0.795
ASSI { 33} (resid 66 and name HD#) (resid 75 and name HG2#) 3.026 0.525 4.203 peak 33 weight 1.00000E+00 volume 2.60166E+06 ppm1 6.940 ppm2 0.241
ASSI { 16} (resid 72 and name HG1#) (resid 66 and name HE#) 3.178 0.556 3.718 peak 16 weight 1.00000E+00 volume 3.37638E+05 ppm1 6.681 ppm2 1.102
ASSI { 17} (resid 72 and name HG2#) (resid 66 and name HE#) 2.733 0.467 3.673 peak 17 weight 1.00000E+00 volume 6.26962E+05 ppm1 6.683 ppm2 0.945
ASSI { 28} (resid 72 and name HG2#) (resid 66 and name HD#) 2.875 0.495 3.688 peak 28 weight 1.00000E+00 volume 3.53803E+06 ppm1 6.941 ppm2 0.947
ASSI { 51} (resid 75 and name HG2#) (resid 64 and name HE#) 2.548 0.43 4.155 peak 51 weight 1.00000E+00 volume 1.49647E+06 ppm1 6.781 ppm2 0.241
OR    {  51}   (resid  79  and  name  HG12)  (resid  64  and  name  HE#)
ASSI { 45} (resid 79 and name HG11) (resid 64 and name HE#) 3.141 0.548 3.714 peak 45 weight 1.00000E+00 volume 3.62981E+05 ppm1 6.782 ppm2 1.530
ASSI { 50} (resid 79 and name HD1#) (resid 64 and name HE#) 3.013 0.523 4.201 peak 50 weight 1.00000E+00 volume 2.67085E+06 ppm1 6.781 ppm2 0.378
ASSI { 52} (resid 79 and name HG12) (resid 64 and name HD#) 3.250 0.57 3.725 peak 52 weight 1.00000E+00 volume 1.69702E+06 ppm1 7.017 ppm2 0.244
ASSI { 53} (resid 79 and name HD1#) (resid 64 and name HD#) 3.266 0.573 4.227 peak 53 weight 1.00000E+00 volume 1.64622E+06 ppm1 7.017 ppm2 0.384
ASSI { 31} (resid 79 and name HD1#) (resid 66 and name HD#) 3.256 0.571 4.226 peak 31 weight 1.00000E+00 volume 1.67624E+06 ppm1 6.942 ppm2 0.393
OR    {  31}   (resid  27  and  name  HD1#)  (resid  66  and  name  HD#)
ASSI { 2} (resid 88 and name HE#) (resid 88 and name HD#) 2.186 0.357 5.019 peak 2 weight 1.00000E+00 volume 2.99736E+06 ppm1 6.808 ppm2 7.095
ASSI { 4} (resid 88 and name HD#) (resid 88 and name HA) 3.417 0.603 2.742 peak 4 weight 1.00000E+00 volume 2.19224E+05 ppm1 7.094 ppm2 4.454
ASSI { 5} (resid 88 and name HD#) (resid 88 and name HB2) 2.790 0.478 3.679 peak 5 weight 1.00000E+00 volume 6.06574E+05 ppm1 7.097 ppm2 3.126
ASSI { 117} (resid 92 and name HD2) (resid 57 and name HZ) 3.413 0.603 1.341 peak 117 weight 1.00000E+00 volume 1.26405E+06 ppm1 7.278 ppm2 1.254
!!n15!!
ASSI { 833} (resid 2 and name HN) (resid 3 and name HE21) 2.373 0.573 0.949 peak 833 weight 1.00000E+00 volume 2.19223E+06 ppm1 8.044 ppm2 7.478
OR    {  833}  (resid  2   and  name  HN)    (resid  2   and  name  HD21)
ASSI { 826} (resid 3 and name HN) (resid 3 and name HA) 2.381 0.581 0.952 peak 826 weight 1.00000E+00 volume 2.14880E+06 ppm1 8.231 ppm2 4.144
ASSI { 828} (resid 3 and name HN) (resid 3 and name HG2) 2.446 0.646 1.978 peak 828 weight 1.00000E+00 volume 1.83125E+06 ppm1 8.231 ppm2 2.482
ASSI { 822} (resid 3 and name HG2) (resid 4 and name HN) 2.863 0.779 2.145 peak 822 weight 1.00000E+00 volume 7.11949E+05 ppm1 8.173 ppm2 2.465
ASSI { 823} (resid 3 and name HA) (resid 4 and name HN) 2.468 0.66 0.987 peak 823 weight 1.00000E+00 volume 1.73547E+06 ppm1 8.177 ppm2 4.116
ASSI { 830} (resid 3 and name HN) (resid 4 and name HB2) 2.587 0.696 2.035 peak 830 weight 1.00000E+00 volume 1.30762E+06 ppm1 8.228 ppm2 1.911
ASSI { 842} (resid 4 and name HB2) (resid 2 and name HN) 2.321 0.521 1.928 peak 842 weight 1.00000E+00 volume 2.50486E+06 ppm1 8.045 ppm2 1.899
ASSI { 821} (resid 4 and name HN) (resid 3 and name HB2) 2.210 0.41 1.884 peak 821 weight 1.00000E+00 volume 1.85419E+05 ppm1 8.173 ppm2 2.197
ASSI { 820} (resid 4 and name HB1) (resid 4 and name HN) 2.566 0.69 2.026 peak 820 weight 1.00000E+00 volume 1.04105E+05 ppm1 8.174 ppm2 1.740
ASSI { 817} (resid 5 and name HN) (resid 4 and name HG2) 3.350 0.925 2.34 peak 817 weight 1.00000E+00 volume 9.81540E+04 ppm1 8.117 ppm2 1.464
ASSI { 818} (resid 5 and name HN) (resid 5 and name HA) 3.131 0.859 1.252 peak 818 weight 1.00000E+00 volume 8.74333E+04 ppm1 8.116 ppm2 4.282
ASSI { 813} (resid 5 and name HA) (resid 6 and name HN) 2.392 0.592 0.957 peak 813 weight 1.00000E+00 volume 2.75771E+04 ppm1 8.037 ppm2 4.292
ASSI { 800} (resid 6 and name HD1#) (resid 9 and name HN) 3.985 1.116 2.515 peak 800 weight 1.00000E+00 volume -1.87809E+04 ppm1 8.261 ppm2 0.852
OR    {  800}  (resid  89  and  name  HG11)  (resid  9   and  name  HN)
ASSI { 809} (resid 7 and name HN) (resid 7 and name HA) 3.257 0.897 1.303 peak 809 weight 1.00000E+00 volume 2.86329E+05 ppm1 8.279 ppm2 4.205
ASSI { 806} (resid 8 and name HN) (resid 3 and name HG1) 1.912 0.112 1.765 peak 806 weight 1.00000E+00 volume -6.17579E+04 ppm1 8.222 ppm2 2.380
ASSI { 807} (resid 8 and name HN) (resid 3 and name HB2) 1.952 0.152 1.781 peak 807 weight 1.00000E+00 volume 1.52700E+05 ppm1 8.224 ppm2 2.197
ASSI { 805} (resid 8 and name HN) (resid 4 and name HA) 2.009 0.209 1.804 peak 805 weight 1.00000E+00 volume 5.95878E+06 ppm1 8.223 ppm2 4.191
OR    {  805}  (resid  8   and  name  HN)    (resid  7   and  name  HA)
ASSI { 799} (resid 8 and name HG2) (resid 9 and name HN) 3.276 0.903 2.31 peak 799 weight 1.00000E+00 volume 3.17117E+05 ppm1 8.261 ppm2 2.302
ASSI { 802} (resid 9 and name HE21) (resid 8 and name HN) 3.065 0.84 1.226 peak 802 weight 1.00000E+00 volume 4.72492E+05 ppm1 8.223 ppm2 7.395
ASSI { 594} (resid 9 and name HG2) (resid 31 and name HN) 2.561 0.688 2.024 peak 594 weight 1.00000E+00 volume -7.22906E+03 ppm1 8.384 ppm2 1.837
ASSI { 789} (resid 12 and name HN) (resid 12 and name HA) 2.387 0.587 0.955 peak 789 weight 1.00000E+00 volume 1.58302E+04 ppm1 7.974 ppm2 4.477
ASSI { 790} (resid 12 and name HB1) (resid 12 and name HN) 2.203 0.403 1.881 peak 790 weight 1.00000E+00 volume 5.47174E+04 ppm1 7.970 ppm2 4.205
ASSI { 791} (resid 11 and name HB2) (resid 12 and name HN) 2.504 0.671 2.002 peak 791 weight 1.00000E+00 volume -7.26620E+03 ppm1 7.969 ppm2 3.021
ASSI { 768} (resid 14 and name HB1) (resid 14 and name HN) 1.895 0.095 1.758 peak 768 weight 1.00000E+00 volume 8.45572E+06 ppm1 8.471 ppm2 3.035
ASSI { 899} (resid 14 and name HB1) (resid 15 and name HN) 2.662 0.718 2.065 peak 899 weight 1.00000E+00 volume 1.10174E+06 ppm1 8.359 ppm2 3.060
ASSI { 901} (resid 15 and name HN) (resid 11 and name HA) 2.442 0.642 0.977 peak 901 weight 1.00000E+00 volume 2.25629E+04 ppm1 8.356 ppm2 4.686
ASSI { 761} (resid 15 and name HA) (resid 15 and name HN) 2.161 0.361 0.864 peak 761 weight 1.00000E+00 volume 3.84942E+06 ppm1 8.362 ppm2 4.470
ASSI { 900} (resid 15 and name HB2) (resid 15 and name HN) 2.280 0.48 1.912 peak 900 weight 1.00000E+00 volume 2.78497E+06 ppm1 8.360 ppm2 4.286
ASSI { 755} (resid 15 and name HB2) (resid 16 and name HN) 2.621 0.706 2.048 peak 755 weight 1.00000E+00 volume 1.38284E+05 ppm1 7.920 ppm2 4.203
ASSI { 903} (resid 15 and name HA) (resid 16 and name HN) 2.930 0.799 1.172 peak 903 weight 1.00000E+00 volume 6.19434E+05 ppm1 7.912 ppm2 4.476
ASSI { 756} (resid 16 and name HA) (resid 16 and name HN) 2.452 0.652 0.981 peak 756 weight 1.00000E+00 volume 1.98140E+05 ppm1 7.926 ppm2 3.825
ASSI { 757} (resid 16 and name HB) (resid 16 and name HN) 2.314 0.514 0.925 peak 757 weight 1.00000E+00 volume 2.17166E+05 ppm1 7.924 ppm2 2.298
ASSI { 758} (resid 16 and name HG1#) (resid 16 and name HN) 2.504 0.671 2.002 peak 758 weight 1.00000E+00 volume 1.60238E+05 ppm1 7.924 ppm2 1.205
ASSI { 759} (resid 16 and name HG2#) (resid 16 and name HN) 2.802 0.761 1.621 peak 759 weight 1.00000E+00 volume 8.09245E+05 ppm1 7.922 ppm2 0.845
ASSI { 715} (resid 16 and name HG2#) (resid 20 and name HN) 3.295 0.909 2.318 peak 715 weight 1.00000E+00 volume -5.07888E+03 ppm1 7.836 ppm2 0.836
ASSI { 717} (resid 16 and name HG1#) (resid 20 and name HN) 3.205 0.882 2.282 peak 717 weight 1.00000E+00 volume -1.01443E+04 ppm1 7.840 ppm2 1.186
ASSI { 747} (resid 17 and name HN) (resid 14 and name HB1) 2.655 0.716 2.062 peak 747 weight 1.00000E+00 volume 1.11968E+06 ppm1 8.303 ppm2 3.114
ASSI { 748} (resid 17 and name HN) (resid 14 and name HB2) 2.593 0.698 2.037 peak 748 weight 1.00000E+00 volume 2.46152E+05 ppm1 8.300 ppm2 2.917
ASSI { 746} (resid 17 and name HN) (resid 16 and name HA) 3.050 0.835 1.220 peak 746 weight 1.00000E+00 volume 1.04502E+05 ppm1 8.299 ppm2 3.843
ASSI { 750} (resid 17 and name HN) (resid 16 and name HB) 1.979 0.179 0.792 peak 750 weight 1.00000E+00 volume 1.49281E+06 ppm1 8.303 ppm2 2.196
ASSI { 742} (resid 17 and name HN) (resid 17 and name HD21) 2.671 0.721 1.068 peak 742 weight 1.00000E+00 volume 1.07852E+06 ppm1 8.302 ppm2 7.503
ASSI { 752} (resid 17 and name HD21) (resid 17 and name HD22) 1.940 0.14 0.776 peak 752 weight 1.00000E+00 volume 5.59716E+05 ppm1 7.920 ppm2 7.474
ASSI { 744} (resid 18 and name HA) (resid 17 and name HN) 2.523 0.677 1.009 peak 744 weight 1.00000E+00 volume 2.67608E+05 ppm1 8.298 ppm2 4.566
OR    {  744}  (resid  17  and  name  HN)    (resid  14  and  name  HA)
ASSI { 728} (resid 18 and name HB2) (resid 19 and name HN) 2.479 0.664 1.992 peak 728 weight 1.00000E+00 volume 3.03379E+05 ppm1 7.816 ppm2 2.829
ASSI { 902} (resid 18 and name HA) (resid 21 and name HN) 2.999 0.82 1.199 peak 902 weight 1.00000E+00 volume -4.73928E+03 ppm1 7.326 ppm2 4.638
ASSI { 727} (resid 19 and name HA) (resid 19 and name HN) 2.476 0.663 0.990 peak 727 weight 1.00000E+00 volume 1.69943E+06 ppm1 7.817 ppm2 4.294
ASSI { 729} (resid 19 and name HB2) (resid 19 and name HN) 1.957 0.157 1.783 peak 729 weight 1.00000E+00 volume 1.03147E+06 ppm1 7.814 ppm2 2.201
ASSI { 893} (resid 19 and name HD2) (resid 19 and name HN) 2.085 0.285 1.834 peak 893 weight 1.00000E+00 volume 5.00409E+05 ppm1 7.813 ppm2 1.966
OR    {  893}  (resid  19  and  name  HB1)   (resid  19  and  name  HN)
ASSI { 720} (resid 19 and name HB2) (resid 20 and name HN) 2.610 0.703 2.044 peak 720 weight 1.00000E+00 volume 1.24041E+06 ppm1 7.840 ppm2 2.208
ASSI { 724} (resid 20 and name HN) (resid 17 and name HA) 3.543 0.983 1.417 peak 724 weight 1.00000E+00 volume 1.97931E+05 ppm1 7.841 ppm2 4.493
ASSI { 714} (resid 20 and name HD1#) (resid 20 and name HN) 3.132 0.859 4.553 peak 714 weight 1.00000E+00 volume 1.60749E+03 ppm1 7.840 ppm2 0.086
ASSI { 718} (resid 20 and name HN) (resid 20 and name HG) 2.297 0.497 0.919 peak 718 weight 1.00000E+00 volume 1.77319E+05 ppm1 7.842 ppm2 1.381
ASSI { 719} (resid 20 and name HB2) (resid 20 and name HN) 2.091 0.291 1.836 peak 719 weight 1.00000E+00 volume 4.68655E+06 ppm1 7.841 ppm2 1.732
ASSI { 722} (resid 20 and name HA) (resid 20 and name HN) 2.401 0.601 0.960 peak 722 weight 1.00000E+00 volume 8.62299E+04 ppm1 7.838 ppm2 4.277
ASSI { 692} (resid 21 and name HN) (resid 20 and name HB2) 2.595 0.698 2.038 peak 692 weight 1.00000E+00 volume 2.34560E+04 ppm1 7.327 ppm2 1.737
ASSI { 695} (resid 21 and name HN) (resid 20 and name HA) 2.628 0.708 1.051 peak 695 weight 1.00000E+00 volume 1.18889E+06 ppm1 7.326 ppm2 4.279
ASSI { 721} (resid 21 and name HB2) (resid 20 and name HN) 3.654 1.016 2.346 peak 721 weight 1.00000E+00 volume 1.77416E+04 ppm1 7.845 ppm2 2.930
ASSI { 698} (resid 21 and name HN) (resid 20 and name HN) 2.259 0.459 0.904 peak 698 weight 1.00000E+00 volume 2.94968E+06 ppm1 7.329 ppm2 7.854
ASSI { 693} (resid 21 and name HB2) (resid 21 and name HN) 2.219 0.419 1.887 peak 693 weight 1.00000E+00 volume -2.75404E+03 ppm1 7.324 ppm2 2.961
ASSI { 694} (resid 21 and name HB1) (resid 21 and name HN) 2.247 0.447 1.899 peak 694 weight 1.00000E+00 volume 3.04584E+06 ppm1 7.326 ppm2 3.200
ASSI { 697} (resid 21 and name HN) (resid 21 and name HA) 2.420 0.62 0.968 peak 697 weight 1.00000E+00 volume 1.94923E+06 ppm1 7.326 ppm2 4.917
ASSI { 701} (resid 21 and name HB2) (resid 21 and name HD22) 3.099 0.85 2.24 peak 701 weight 1.00000E+00 volume 4.42132E+05 ppm1 7.694 ppm2 2.938
ASSI { 702} (resid 21 and name HB1) (resid 21 and name HD22) 3.074 0.842 2.23 peak 702 weight 1.00000E+00 volume 2.44116E+04 ppm1 7.696 ppm2 3.219
ASSI { 703} (resid 21 and name HB2) (resid 21 and name HD21) 2.856 0.777 2.142 peak 703 weight 1.00000E+00 volume 7.21474E+05 ppm1 6.876 ppm2 2.950
ASSI { 704} (resid 21 and name HB1) (resid 21 and name HD21) 3.195 0.878 2.278 peak 704 weight 1.00000E+00 volume 1.23987E+04 ppm1 6.872 ppm2 3.202
ASSI { 710} (resid 21 and name HD21) (resid 21 and name HD22) 1.800 0.00 0.706 peak 710 weight 1.00000E+00 volume 1.08102E+07 ppm1 7.698 ppm2 6.886
ASSI { 683} (resid 21 and name HA) (resid 22 and name HN) 1.990 0.19 0.796 peak 683 weight 1.00000E+00 volume 6.30959E+06 ppm1 8.175 ppm2 4.928
ASSI { 691} (resid 21 and name HN) (resid 22 and name HG2) 2.818 0.765 2.127 peak 691 weight 1.00000E+00 volume 2.86779E+04 ppm1 7.328 ppm2 1.467
ASSI { 699} (resid 21 and name HN) (resid 22 and name HN) 2.916 0.795 1.166 peak 699 weight 1.00000E+00 volume -6.37058E+05 ppm1 7.327 ppm2 8.138
ASSI { 731} (resid 20 and name HB2) (resid 19 and name HN) 2.337 0.537 1.935 peak 731 weight 1.00000E+00 volume 2.79124E+05 ppm1 7.816 ppm2 1.768
ASSI { 684} (resid 22 and name HA) (resid 22 and name HN) 2.576 0.693 1.031 peak 684 weight 1.00000E+00 volume 1.33952E+06 ppm1 8.172 ppm2 4.572
ASSI { 686} (resid 22 and name HB1) (resid 22 and name HN) 2.869 0.781 2.147 peak 686 weight 1.00000E+00 volume 7.03099E+05 ppm1 8.174 ppm2 2.149
ASSI { 687} (resid 22 and name HB2) (resid 22 and name HN) 2.266 0.466 1.907 peak 687 weight 1.00000E+00 volume 6.01151E+04 ppm1 8.170 ppm2 1.835
ASSI { 675} (resid 22 and name HB1) (resid 23 and name HN) 5.000 1.42 1 peak 675 weight 1.00000E+00 volume -2.45838E+04 ppm1 8.497 ppm2 2.190
OR    {  675}  (resid  47  and  name  HB)    (resid  23  and  name  HN)
ASSI { 898} (resid 22 and name HB2) (resid 23 and name HN) 3.655 1.017 2.345 peak 898 weight 1.00000E+00 volume 7.41583E+02 ppm1 8.499 ppm2 1.835
ASSI { 678} (resid 23 and name HN) (resid 22 and name HN) 2.425 0.625 0.970 peak 678 weight 1.00000E+00 volume 1.92495E+06 ppm1 8.498 ppm2 8.196
ASSI { 676} (resid 23 and name HN) (resid 23 and name HA2) 2.284 0.484 0.913 peak 676 weight 1.00000E+00 volume 2.76266E+06 ppm1 8.498 ppm2 4.028
ASSI { 677} (resid 23 and name HN) (resid 23 and name HA1) 2.241 0.441 0.897 peak 677 weight 1.00000E+00 volume 3.08897E+06 ppm1 8.498 ppm2 4.187
ASSI { 667} (resid 24 and name HN) (resid 23 and name HA2) 2.661 0.718 1.064 peak 667 weight 1.00000E+00 volume 1.10334E+06 ppm1 8.842 ppm2 4.028
ASSI { 670} (resid 24 and name HN) (resid 23 and name HN) 2.363 0.563 0.945 peak 670 weight 1.00000E+00 volume -4.08348E+04 ppm1 8.844 ppm2 8.479
ASSI { 674} (resid 24 and name HB2) (resid 23 and name HN) 5.000 1.42 1 peak 674 weight 1.00000E+00 volume -1.64581E+04 ppm1 8.497 ppm2 1.464
ASSI { 665} (resid 24 and name HN) (resid 24 and name HG1) 2.716 0.735 2.086 peak 665 weight 1.00000E+00 volume 9.76238E+05 ppm1 8.841 ppm2 1.247
ASSI { 666} (resid 24 and name HD2) (resid 24 and name HN) 2.536 0.681 2.014 peak 666 weight 1.00000E+00 volume 1.47312E+06 ppm1 8.841 ppm2 1.791
ASSI { 668} (resid 24 and name HN) (resid 24 and name HA) 2.476 0.663 0.990 peak 668 weight 1.00000E+00 volume 1.70194E+06 ppm1 8.838 ppm2 4.238
ASSI { 660} (resid 25 and name HN) (resid 24 and name HD2) 2.183 0.383 1.873 peak 660 weight 1.00000E+00 volume 3.62078E+06 ppm1 8.457 ppm2 1.812
ASSI { 662} (resid 25 and name HN) (resid 24 and name HD1) 4.133 1.16 1.867 peak 662 weight 1.00000E+00 volume 1.46594E+04 ppm1 8.448 ppm2 1.372
ASSI { 663} (resid 25 and name HN) (resid 24 and name HG1) 2.758 0.747 2.103 peak 663 weight 1.00000E+00 volume 8.90805E+05 ppm1 8.453 ppm2 1.201
ASSI { 656} (resid 25 and name HA1) (resid 25 and name HN) 2.401 0.601 0.960 peak 656 weight 1.00000E+00 volume 2.04519E+06 ppm1 8.453 ppm2 4.380
ASSI { 658} (resid 25 and name HA2) (resid 25 and name HN) 2.276 0.476 0.910 peak 658 weight 1.00000E+00 volume 2.82109E+06 ppm1 8.454 ppm2 3.462
ASSI { 647} (resid 25 and name HA2) (resid 26 and name HN) 2.324 0.524 0.930 peak 647 weight 1.00000E+00 volume 2.48453E+06 ppm1 8.237 ppm2 3.383
ASSI { 649} (resid 25 and name HA1) (resid 26 and name HN) 2.061 0.261 0.824 peak 649 weight 1.00000E+00 volume 7.07831E+05 ppm1 8.234 ppm2 4.380
ASSI { 641} (resid 26 and name HG2) (resid 26 and name HN) 2.152 0.352 1.861 peak 641 weight 1.00000E+00 volume 3.94438E+06 ppm1 8.235 ppm2 1.172
ASSI { 643} (resid 26 and name HN) (resid 26 and name HB2) 2.061 0.261 1.824 peak 643 weight 1.00000E+00 volume 5.10853E+06 ppm1 8.234 ppm2 1.738
ASSI { 644} (resid 26 and name HN) (resid 26 and name HE2) 2.854 0.776 2.141 peak 644 weight 1.00000E+00 volume 4.56048E+04 ppm1 8.236 ppm2 2.839
ASSI { 650} (resid 26 and name HN) (resid 26 and name HA) 2.549 0.685 1.020 peak 650 weight 1.00000E+00 volume 1.80923E+05 ppm1 8.239 ppm2 4.930
ASSI { 911} (resid 26 and name HA) (resid 27 and name HN) 2.134 0.334 0.854 peak 911 weight 1.00000E+00 volume 7.63480E+05 ppm1 8.663 ppm2 4.920
ASSI { 913} (resid 26 and name HG2) (resid 27 and name HN) 2.821 0.766 2.128 peak 913 weight 1.00000E+00 volume 1.15363E+05 ppm1 8.662 ppm2 1.187
ASSI { 503} (resid 26 and name HN) (resid 41 and name HN) 2.509 0.673 1.004 peak 503 weight 1.00000E+00 volume 1.56936E+06 ppm1 8.566 ppm2 8.221
ASSI { 912} (resid 27 and name HB1) (resid 27 and name HN) 2.380 0.58 1.952 peak 912 weight 1.00000E+00 volume 3.35294E+05 ppm1 8.664 ppm2 1.740
OR    {  912}  (resid  26  and  name  HB2)   (resid  27  and  name  HN)
ASSI { 914} (resid 27 and name HB1) (resid 27 and name HN) 2.602 0.701 2.041 peak 914 weight 1.00000E+00 volume 2.20291E+05 ppm1 8.666 ppm2 1.003
ASSI { 937} (resid 27 and name HA) (resid 28 and name HN) 1.946 0.146 0.778 peak 937 weight 1.00000E+00 volume 1.04833E+06 ppm1 8.481 ppm2 4.667
ASSI { 705} (resid 28 and name HA) (resid 21 and name HD22) 2.722 0.737 1.089 peak 705 weight 1.00000E+00 volume 2.53026E+04 ppm1 7.698 ppm2 4.720
ASSI { 706} (resid 28 and name HA) (resid 21 and name HD21) 2.328 0.528 0.931 peak 706 weight 1.00000E+00 volume 1.93983E+05 ppm1 6.870 ppm2 4.743
ASSI { 612} (resid 28 and name HA) (resid 29 and name HN) 2.798 0.76 1.119 peak 612 weight 1.00000E+00 volume 2.00462E+05 ppm1 9.885 ppm2 4.743
ASSI { 613} (resid 28 and name HB2) (resid 29 and name HN) 3.162 0.869 2.265 peak 613 weight 1.00000E+00 volume 5.36599E+04 ppm1 9.882 ppm2 3.570
ASSI { 520} (resid 28 and name HN) (resid 39 and name HN) 2.537 0.681 1.015 peak 520 weight 1.00000E+00 volume 1.46932E+06 ppm1 8.854 ppm2 8.486
ASSI { 609} (resid 29 and name HN) (resid 17 and name HD21) 3.056 0.837 1.222 peak 609 weight 1.00000E+00 volume 4.81205E+05 ppm1 9.881 ppm2 7.483
ASSI { 610} (resid 29 and name HN) (resid 17 and name HD22) 2.657 0.717 2.063 peak 610 weight 1.00000E+00 volume 2.13847E+05 ppm1 9.884 ppm2 7.937
ASSI { 611} (resid 29 and name HA) (resid 29 and name HN) 3.030 0.829 1.212 peak 611 weight 1.00000E+00 volume 1.61174E+05 ppm1 9.880 ppm2 5.297
ASSI { 614} (resid 29 and name HB1) (resid 29 and name HN) 2.502 0.67 2.001 peak 614 weight 1.00000E+00 volume 1.59816E+06 ppm1 9.883 ppm2 1.839
ASSI { 615} (resid 29 and name HG) (resid 29 and name HN) 2.734 0.74 1.094 peak 615 weight 1.00000E+00 volume 2.95066E+05 ppm1 9.881 ppm2 1.555
OR    {  615}  (resid  29  and  name  HN)    (resid  36  and  name  HG)
ASSI { 616} (resid 29 and name HB2) (resid 29 and name HN) 2.697 0.729 2.079 peak 616 weight 1.00000E+00 volume 1.42627E+05 ppm1 9.880 ppm2 1.317
ASSI { 617} (resid 29 and name HD2#) (resid 29 and name HN) 2.629 0.709 3.452 peak 617 weight 1.00000E+00 volume 1.18569E+06 ppm1 9.884 ppm2 0.748
ASSI { 595} (resid 30 and name HN) (resid 29 and name HD2#) 2.612 0.704 3.445 peak 595 weight 1.00000E+00 volume -2.44528E+04 ppm1 9.020 ppm2 0.736
ASSI { 599} (resid 30 and name HN) (resid 29 and name HB1) 2.955 0.806 2.182 peak 599 weight 1.00000E+00 volume 5.88576E+05 ppm1 9.023 ppm2 1.825
ASSI { 603} (resid 30 and name HN) (resid 29 and name HA) 1.957 0.157 0.783 peak 603 weight 1.00000E+00 volume 6.98015E+06 ppm1 9.020 ppm2 5.295
ASSI { 600} (resid 30 and name HN) (resid 30 and name HB2) 2.781 0.754 2.112 peak 600 weight 1.00000E+00 volume 1.22047E+04 ppm1 9.024 ppm2 3.764
ASSI { 601} (resid 30 and name HN) (resid 30 and name HA) 2.590 0.697 1.036 peak 601 weight 1.00000E+00 volume 2.49286E+04 ppm1 9.024 ppm2 4.493
ASSI { 590} (resid 30 and name HA) (resid 31 and name HN) 2.209 0.409 0.884 peak 590 weight 1.00000E+00 volume 1.49310E+03 ppm1 8.381 ppm2 4.478
ASSI { 589} (resid 31 and name HA) (resid 31 and name HN) 3.039 0.832 1.216 peak 589 weight 1.00000E+00 volume -2.18508E+04 ppm1 8.388 ppm2 5.344
ASSI { 592} (resid 31 and name HN) (resid 31 and name HG2) 4.684 1.325 1.316 peak 592 weight 1.00000E+00 volume -1.56678E+03 ppm1 8.384 ppm2 2.469
ASSI { 593} (resid 31 and name HB2) (resid 31 and name HN) 2.621 0.706 2.048 peak 593 weight 1.00000E+00 volume 3.77584E+03 ppm1 8.383 ppm2 2.101
ASSI { 580} (resid 31 and name HA) (resid 32 and name HN) 2.245 0.445 0.898 peak 580 weight 1.00000E+00 volume 3.06226E+06 ppm1 9.198 ppm2 5.364
ASSI { 576} (resid 32 and name HB2) (resid 32 and name HN) 2.951 0.805 2.181 peak 576 weight 1.00000E+00 volume -9.44699E+02 ppm1 9.200 ppm2 2.558
ASSI { 579} (resid 32 and name HN) (resid 32 and name HA) 3.012 0.824 1.205 peak 579 weight 1.00000E+00 volume 1.57560E+04 ppm1 9.201 ppm2 4.942
ASSI { 582} (resid 32 and name HD21) (resid 32 and name HD22) 1.800 0.00 0.688 peak 582 weight 1.00000E+00 volume 2.14369E+07 ppm1 7.611 ppm2 6.930
ASSI { 552} (resid 32 and name HB1) (resid 35 and name HN) 2.875 0.782 2.15 peak 552 weight 1.00000E+00 volume 1.96183E+02 ppm1 7.812 ppm2 2.841
ASSI { 884} (resid 32 and name HN) (resid 35 and name HN) 3.412 0.943 1.365 peak 884 weight 1.00000E+00 volume 2.48440E+05 ppm1 9.194 ppm2 7.848
ASSI { 559} (resid 33 and name HA1) (resid 34 and name HN) 3.252 0.895 1.301 peak 559 weight 1.00000E+00 volume 2.27499E+04 ppm1 8.579 ppm2 4.044
ASSI { 929} (resid 33 and name HA2) (resid 34 and name HN) 3.692 1.027 1.308 peak 929 weight 1.00000E+00 volume 1.54786E+05 ppm1 8.575 ppm2 3.662
ASSI { 563} (resid 34 and name HD21) (resid 34 and name HD22) 1.838 0.038 0.735 peak 563 weight 1.00000E+00 volume 7.97961E+05 ppm1 6.771 ppm2 7.070
ASSI { 561} (resid 34 and name HN) (resid 35 and name HN) 2.584 0.695 1.033 peak 561 weight 1.00000E+00 volume 5.98325E+03 ppm1 8.581 ppm2 7.843
ASSI { 562} (resid 34 and name HD22) (resid 35 and name HN) 2.780 0.754 1.112 peak 562 weight 1.00000E+00 volume 8.48728E+05 ppm1 7.062 ppm2 7.777
ASSI { 928} (resid 35 and name HA) (resid 34 and name HN) 4.222 1.187 0.778 peak 928 weight 1.00000E+00 volume -3.88999E+04 ppm1 8.575 ppm2 4.741
ASSI { 548} (resid 35 and name HA) (resid 35 and name HN) 2.972 0.812 1.189 peak 548 weight 1.00000E+00 volume 4.45419E+03 ppm1 7.812 ppm2 4.662
ASSI { 554} (resid 35 and name HB2) (resid 35 and name HN) 2.207 0.407 1.883 peak 554 weight 1.00000E+00 volume 1.04355E+05 ppm1 7.814 ppm2 2.000
ASSI { 556} (resid 35 and name HE21) (resid 35 and name HE22) 1.800 0.00 0.717 peak 556 weight 1.00000E+00 volume 7.36962E+06 ppm1 6.672 ppm2 7.591
ASSI { 878} (resid 35 and name HG2) (resid 36 and name HN) 2.708 0.732 2.083 peak 878 weight 1.00000E+00 volume 3.01595E+04 ppm1 8.541 ppm2 2.280
ASSI { 596} (resid 36 and name HD1#) (resid 30 and name HN) 2.640 0.712 3.456 peak 596 weight 1.00000E+00 volume 2.18675E+04 ppm1 9.019 ppm2 0.915

ASSI { 602} (resid 36 and name HA) (resid 30 and name HN) 3.362 0.929 1.345 peak 602 weight 1.00000E+00 volume 2.71277E+05 ppm1 9.021 ppm2 4.757
ASSI { 897} (resid 36 and name HA) (resid 32 and name HN) 3.550 0.985 1.420 peak 897 weight 1.00000E+00 volume -1.99923E+04 ppm1 9.198 ppm2 4.747
ASSI { 881} (resid 36 and name HD2#) (resid 36 and name HN) 2.411 0.611 3.364 peak 881 weight 1.00000E+00 volume 1.99528E+06 ppm1 8.536 ppm2 1.163
ASSI { 882} (resid 36 and name HD1#) (resid 36 and name HN) 2.429 0.629 4.271 peak 882 weight 1.00000E+00 volume 4.27602E+04 ppm1 8.537 ppm2 0.836
ASSI { 537} (resid 36 and name HD1#) (resid 37 and name HN) 2.703 0.731 3.481 peak 537 weight 1.00000E+00 volume 1.00432E+06 ppm1 9.214 ppm2 0.925

ASSI { 538} (resid 37 and name HN) (resid 29 and name HD2#) 4.236 1.191 3.164 peak 538 weight 1.00000E+00 volume -1.35045E+04 ppm1 9.215 ppm2 0.737
OR    {  538}  (resid  37  and  name  HN)    (resid  29  and  name  HD1#)
ASSI { 597} (resid 37 and name HG2) (resid 30 and name HN) 2.561 0.688 2.024 peak 597 weight 1.00000E+00 volume -1.22510E+04 ppm1 9.021 ppm2 1.297
ASSI { 598} (resid 37 and name HD2) (resid 30 and name HN) 3.462 0.959 2.385 peak 598 weight 1.00000E+00 volume 2.27352E+05 ppm1 9.021 ppm2 1.571
OR    {  598}  (resid  37  and  name  HD1)   (resid  30  and  name  HN)
ASSI { 886} (resid 37 and name HN) (resid 30 and name HN) 2.374 0.574 0.950 peak 886 weight 1.00000E+00 volume 2.18763E+06 ppm1 9.021 ppm2 9.222
ASSI { 531} (resid 37 and name HN) (resid 31 and name HA) 3.214 0.884 1.285 peak 531 weight 1.00000E+00 volume 1.41387E+04 ppm1 9.214 ppm2 5.311
ASSI { 577} (resid 32 and name HB2) (resid 32 and name HN) 2.740 0.742 2.096 peak 577 weight 1.00000E+00 volume 1.30595E+04 ppm1 9.199 ppm2 2.838
ASSI { 532} (resid 37 and name HN) (resid 37 and name HA) 2.292 0.492 0.917 peak 532 weight 1.00000E+00 volume 2.70366E+06 ppm1 9.215 ppm2 4.743
ASSI { 533} (resid 37 and name HN) (resid 37 and name HB1) 2.742 0.743 2.097 peak 533 weight 1.00000E+00 volume 9.21398E+05 ppm1 9.212 ppm2 1.732
ASSI { 534} (resid 37 and name HN) (resid 37 and name HD2) 2.772 0.752 2.109 peak 534 weight 1.00000E+00 volume 8.62898E+05 ppm1 9.214 ppm2 1.575
OR    {  534}  (resid  37  and  name  HN)    (resid  37  and  name  HD1)
ASSI { 535} (resid 37 and name HG2) (resid 37 and name HN) 3.007 0.822 2.203 peak 535 weight 1.00000E+00 volume -2.36213E+04 ppm1 9.219 ppm2 1.372
ASSI { 536} (resid 37 and name HG1) (resid 37 and name HN) 3.302 0.911 2.321 peak 536 weight 1.00000E+00 volume -1.85372E+04 ppm1 9.219 ppm2 1.212
ASSI { 524} (resid 37 and name HA) (resid 38 and name HN) 2.166 0.366 0.866 peak 524 weight 1.00000E+00 volume 3.79222E+06 ppm1 9.342 ppm2 4.837
ASSI { 526} (resid 37 and name HB1) (resid 38 and name HN) 2.777 0.753 2.111 peak 526 weight 1.00000E+00 volume 8.53696E+05 ppm1 9.341 ppm2 1.734
ASSI { 527} (resid 37 and name HB2) (resid 38 and name HN) 3.013 0.824 2.205 peak 527 weight 1.00000E+00 volume 1.17443E+05 ppm1 9.341 ppm2 1.564
ASSI { 99} (resid 37 and name HA) (resid 83 and name HD22) 3.514 0.974 1.406 peak 99 weight 1.00000E+00 volume 3.44713E+04 ppm1 7.355 ppm2 4.752
ASSI { 100} (resid 37 and name HA) (resid 83 and name HD21) 3.327 0.918 1.331 peak 100 weight 1.00000E+00 volume -2.88809E+05 ppm1 6.608 ppm2 4.724
ASSI { 523} (resid 38 and name HN) (resid 38 and name HA) 3.271 0.901 1.308 peak 523 weight 1.00000E+00 volume 3.19986E+05 ppm1 9.346 ppm2 5.386
ASSI { 529} (resid 38 and name HN) (resid 38 and name HB#) 2.602 0.701 2.541 peak 529 weight 1.00000E+00 volume 2.90189E+05 ppm1 9.345 ppm2 1.110
ASSI { 519} (resid 38 and name HA) (resid 39 and name HN) 1.904 0.104 0.762 peak 519 weight 1.00000E+00 volume 4.00278E+05 ppm1 8.858 ppm2 5.387
ASSI { 516} (resid 39 and name HG1) (resid 39 and name HN) 2.243 0.443 0.897 peak 516 weight 1.00000E+00 volume 3.07708E+06 ppm1 8.856 ppm2 1.172
ASSI { 517} (resid 39 and name HB) (resid 39 and name HN) 2.762 0.749 1.105 peak 517 weight 1.00000E+00 volume 7.25431E+04 ppm1 8.855 ppm2 4.118
ASSI { 518} (resid 39 and name HA) (resid 39 and name HN) 2.740 0.742 1.096 peak 518 weight 1.00000E+00 volume -6.94796E+03 ppm1 8.854 ppm2 4.569
ASSI { 510} (resid 40 and name HN) (resid 39 and name HA) 2.235 0.435 0.894 peak 510 weight 1.00000E+00 volume 3.14305E+06 ppm1 8.482 ppm2 4.564
ASSI { 512} (resid 40 and name HN) (resid 39 and name HB) 2.773 0.752 1.109 peak 512 weight 1.00000E+00 volume 8.60972E+05 ppm1 8.481 ppm2 4.109
ASSI { 895} (resid 40 and name HN) (resid 39 and name HG1) 2.764 0.749 1.106 peak 895 weight 1.00000E+00 volume 1.86095E+05 ppm1 8.484 ppm2 1.185
ASSI { 509} (resid 40 and name HA) (resid 40 and name HN) 3.297 0.909 1.319 peak 509 weight 1.00000E+00 volume 3.04856E+05 ppm1 8.485 ppm2 5.570
ASSI { 513} (resid 40 and name HB2) (resid 40 and name HN) 2.903 0.791 2.161 peak 513 weight 1.00000E+00 volume 6.54104E+05 ppm1 8.481 ppm2 3.658
ASSI { 504} (resid 40 and name HA) (resid 41 and name HN) 2.085 0.285 0.834 peak 504 weight 1.00000E+00 volume 4.23256E+05 ppm1 8.575 ppm2 5.566
ASSI { 505} (resid 41 and name HN) (resid 41 and name HA) 2.516 0.675 1.006 peak 505 weight 1.00000E+00 volume 1.18490E+05 ppm1 8.569 ppm2 4.672
ASSI { 506} (resid 41 and name HN) (resid 41 and name HB2) 2.169 0.369 1.868 peak 506 weight 1.00000E+00 volume 3.76208E+06 ppm1 8.572 ppm2 3.734
ASSI { 645} (resid 42 and name HB2) (resid 26 and name HN) 3.059 0.838 2.224 peak 645 weight 1.00000E+00 volume 4.77744E+05 ppm1 8.237 ppm2 3.049
ASSI { 646} (resid 42 and name HB1) (resid 26 and name HN) 2.702 0.731 2.081 peak 646 weight 1.00000E+00 volume 1.00714E+06 ppm1 8.236 ppm2 3.194
ASSI { 493} (resid 42 and name HD21) (resid 42 and name HD22) 1.800 0.00 0.688 peak 493 weight 1.00000E+00 volume 1.78872E+07 ppm1 7.678 ppm2 6.938
ASSI { 502} (resid 42 and name HB2) (resid 42 and name HD21) 2.480 0.664 1.992 peak 502 weight 1.00000E+00 volume 1.68369E+06 ppm1 6.957 ppm2 3.015
ASSI { 483} (resid 42 and name HA) (resid 43 and name HN) 2.198 0.398 0.879 peak 483 weight 1.00000E+00 volume 3.47470E+06 ppm1 7.795 ppm2 4.479
ASSI { 485} (resid 42 and name HB1) (resid 43 and name HN) 4.194 1.178 1.806 peak 485 weight 1.00000E+00 volume 1.08894E+05 ppm1 7.796 ppm2 3.201
ASSI { 482} (resid 43 and name HN) (resid 41 and name HA) 2.645 0.713 1.058 peak 482 weight 1.00000E+00 volume 1.14454E+06 ppm1 7.795 ppm2 4.677
ASSI { 484} (resid 43 and name HA) (resid 43 and name HN) 2.402 0.602 0.961 peak 484 weight 1.00000E+00 volume 2.03896E+06 ppm1 7.793 ppm2 3.933
ASSI { 476} (resid 43 and name HA) (resid 44 and name HN) 3.592 0.998 1.408 peak 476 weight 1.00000E+00 volume -2.02256E+03 ppm1 8.611 ppm2 3.934
ASSI { 481} (resid 44 and name HN) (resid 43 and name HN) 3.033 0.83 1.213 peak 481 weight 1.00000E+00 volume 3.16759E+05 ppm1 7.794 ppm2 8.587
ASSI { 475} (resid 44 and name HN) (resid 44 and name HA1) 2.471 0.661 0.988 peak 475 weight 1.00000E+00 volume 2.18973E+04 ppm1 8.609 ppm2 4.118
ASSI { 477} (resid 44 and name HN) (resid 44 and name HA2) 2.302 0.502 0.921 peak 477 weight 1.00000E+00 volume 1.16625E+04 ppm1 8.611 ppm2 3.488
ASSI { 472} (resid 44 and name HN) (resid 45 and name HN) 2.508 0.672 1.003 peak 472 weight 1.00000E+00 volume -6.09528E+03 ppm1 8.610 ppm2 7.947
ASSI { 469} (resid 45 and name HN) (resid 44 and name HA2) 2.456 0.656 0.983 peak 469 weight 1.00000E+00 volume 1.29157E+05 ppm1 7.953 ppm2 3.472
ASSI { 463} (resid 45 and name HB2) (resid 46 and name HN) 2.496 0.669 1.999 peak 463 weight 1.00000E+00 volume 4.66009E+03 ppm1 8.577 ppm2 3.295
ASSI { 464} (resid 45 and name HB1) (resid 46 and name HN) 2.992 0.818 2.197 peak 464 weight 1.00000E+00 volume 5.45609E+05 ppm1 8.577 ppm2 2.836
ASSI { 468} (resid 46 and name HN) (resid 45 and name HN) 2.568 0.69 2.027 peak 468 weight 1.00000E+00 volume 1.36617E+06 ppm1 7.951 ppm2 8.577
ASSI { 457} (resid 46 and name HN) (resid 46 and name HA1) 2.167 0.367 0.867 peak 457 weight 1.00000E+00 volume 1.66572E+04 ppm1 8.576 ppm2 5.002
ASSI { 461} (resid 46 and name HN) (resid 46 and name HA2) 2.271 0.471 0.908 peak 461 weight 1.00000E+00 volume -4.38716E+03 ppm1 8.574 ppm2 3.583
ASSI { 465} (resid 46 and name HN) (resid 71 and name HG2#) 3.348 0.925 2.839 peak 465 weight 1.00000E+00 volume 2.77920E+05 ppm1 8.575 ppm2 1.203
ASSI { 455} (resid 47 and name HN) (resid 46 and name HN) 3.496 0.969 1.398 peak 455 weight 1.00000E+00 volume 2.14567E+05 ppm1 8.574 ppm2 8.308
ASSI { 454} (resid 47 and name HN) (resid 47 and name HG2#) 2.335 0.535 2.434 peak 454 weight 1.00000E+00 volume 3.33115E+05 ppm1 8.308 ppm2 1.013
ASSI { 438} (resid 48 and name HN) (resid 46 and name HA1) 3.285 0.906 1.314 peak 438 weight 1.00000E+00 volume 3.11488E+05 ppm1 8.297 ppm2 4.939
ASSI { 446} (resid 48 and name HN) (resid 47 and name HG2#) 2.498 0.669 2.499 peak 446 weight 1.00000E+00 volume 1.26041E+05 ppm1 8.300 ppm2 1.102
ASSI { 439} (resid 48 and name HN) (resid 48 and name HA) 2.343 0.543 0.937 peak 439 weight 1.00000E+00 volume 2.36868E+06 ppm1 8.300 ppm2 4.400
ASSI { 441} (resid 48 and name HN) (resid 48 and name HB1) 2.563 0.689 2.025 peak 441 weight 1.00000E+00 volume 1.34717E+05 ppm1 8.297 ppm2 4.022
ASSI { 430} (resid 49 and name HN) (resid 48 and name HB2) 2.129 0.329 1.852 peak 430 weight 1.00000E+00 volume 2.71096E+05 ppm1 8.352 ppm2 4.299
ASSI { 431} (resid 49 and name HN) (resid 48 and name HB1) 2.442 0.642 1.977 peak 431 weight 1.00000E+00 volume 1.37178E+05 ppm1 8.358 ppm2 3.996
ASSI { 432} (resid 49 and name HB2) (resid 49 and name HN) 2.643 0.713 2.057 peak 432 weight 1.00000E+00 volume 7.90134E+04 ppm1 8.355 ppm2 3.548
ASSI { 433} (resid 49 and name HB1) (resid 49 and name HN) 2.498 0.669 1.999 peak 433 weight 1.00000E+00 volume 1.15503E+05 ppm1 8.360 ppm2 2.880
ASSI { 421} (resid 49 and name HN) (resid 50 and name HN) 2.252 0.452 0.901 peak 421 weight 1.00000E+00 volume 5.15751E+05 ppm1 9.032 ppm2 8.357
OR    {  421}  (resid  51  and  name  HN)    (resid  50  and  name  HN)
ASSI { 428} (resid 49 and name HN) (resid 50 and name HN) 2.551 0.685 1.020 peak 428 weight 1.00000E+00 volume 1.81399E+05 ppm1 8.357 ppm2 9.032
ASSI { 423} (resid 50 and name HN) (resid 50 and name HA) 2.262 0.462 0.905 peak 423 weight 1.00000E+00 volume 2.92301E+06 ppm1 9.031 ppm2 4.305
ASSI { 426} (resid 50 and name HG2) (resid 50 and name HN) 2.333 0.533 1.933 peak 426 weight 1.00000E+00 volume 3.68569E+05 ppm1 9.031 ppm2 2.308
ASSI { 427} (resid 50 and name HB2) (resid 50 and name HN) 2.064 0.264 1.825 peak 427 weight 1.00000E+00 volume 1.03246E+06 ppm1 9.029 ppm2 1.911
ASSI { 418} (resid 50 and name HB2) (resid 51 and name HN) 2.177 0.377 1.871 peak 418 weight 1.00000E+00 volume 3.67676E+06 ppm1 8.349 ppm2 1.910
ASSI { 413} (resid 51 and name HN) (resid 50 and name HA) 1.822 0.022 0.729 peak 413 weight 1.00000E+00 volume 4.48694E+05 ppm1 8.343 ppm2 4.335
ASSI { 417} (resid 51 and name HN) (resid 50 and name HG1) 2.484 0.665 1.994 peak 417 weight 1.00000E+00 volume 2.57057E+05 ppm1 8.346 ppm2 2.200
ASSI { 425} (resid 51 and name HB1) (resid 50 and name HN) 4.217 1.185 1.783 peak 425 weight 1.00000E+00 volume -6.96373E+04 ppm1 9.031 ppm2 2.923
OR    {  425}  (resid  49  and  name  HB1)   (resid  50  and  name  HN)
ASSI { 412} (resid 51 and name HA) (resid 51 and name HN) 2.481 0.664 0.992 peak 412 weight 1.00000E+00 volume 1.67969E+06 ppm1 8.349 ppm2 4.824
ASSI { 410} (resid 51 and name HA) (resid 52 and name HN) 1.904 0.104 0.761 peak 410 weight 1.00000E+00 volume 8.22960E+06 ppm1 7.584 ppm2 4.841
ASSI { 874} (resid 51 and name HN) (resid 68 and name HB1) 1.887 0.087 1.755 peak 874 weight 1.00000E+00 volume 8.67127E+06 ppm1 8.346 ppm2 2.455
OR    {  874}  (resid  51  and  name  HN)    (resid  51  and  name  HB2)
ASSI { 407} (resid 52 and name HN) (resid 52 and name HB1) 2.211 0.411 1.885 peak 407 weight 1.00000E+00 volume 3.34876E+06 ppm1 7.587 ppm2 1.476
ASSI { 408} (resid 52 and name HN) (resid 52 and name HG1) 2.630 0.709 2.052 peak 408 weight 1.00000E+00 volume 1.18425E+06 ppm1 7.583 ppm2 1.253
ASSI { 409} (resid 52 and name HN) (resid 52 and name HA) 2.305 0.505 0.922 peak 409 weight 1.00000E+00 volume 2.61316E+06 ppm1 7.583 ppm2 4.482
ASSI { 394} (resid 52 and name HA) (resid 53 and name HN) 1.813 0.013 0.725 peak 394 weight 1.00000E+00 volume 1.65200E+05 ppm1 8.803 ppm2 4.468
ASSI { 397} (resid 52 and name HB1) (resid 53 and name HN) 2.398 0.598 1.959 peak 397 weight 1.00000E+00 volume 6.83216E+04 ppm1 8.803 ppm2 1.566
ASSI { 398} (resid 52 and name HG2) (resid 53 and name HN) 2.666 0.72 2.066 peak 398 weight 1.00000E+00 volume 1.09209E+06 ppm1 8.804 ppm2 1.189
ASSI { 258} (resid 52 and name HN) (resid 68 and name HN) 2.934 0.8 1.173 peak 258 weight 1.00000E+00 volume 2.27560E+05 ppm1 8.886 ppm2 7.579
ASSI { 405} (resid 52 and name HN) (resid 68 and name HG2) 3.096 0.849 2.239 peak 405 weight 1.00000E+00 volume 4.44592E+05 ppm1 7.593 ppm2 2.934
ASSI { 406} (resid 52 and name HN) (resid 68 and name HB1) 2.428 0.628 1.971 peak 406 weight 1.00000E+00 volume 1.55283E+05 ppm1 7.585 ppm2 2.471
ASSI { 390} (resid 53 and name HD21) (resid 53 and name HN) 2.495 0.668 0.998 peak 390 weight 1.00000E+00 volume 1.62424E+06 ppm1 8.805 ppm2 7.605
OR    {  390}  (resid  52  and  name  HN)    (resid  53  and  name  HN)
ASSI { 395} (resid 53 and name HB1) (resid 53 and name HN) 2.348 0.548 1.939 peak 395 weight 1.00000E+00 volume 8.59526E+04 ppm1 8.803 ppm2 2.568
ASSI { 396} (resid 53 and name HB2) (resid 53 and name HN) 2.578 0.693 2.031 peak 396 weight 1.00000E+00 volume 5.67363E+04 ppm1 8.804 ppm2 2.108
ASSI { 399} (resid 53 and name HD21) (resid 53 and name HD22) 1.849 0.049 0.740 peak 399 weight 1.00000E+00 volume 9.78752E+06 ppm1 7.577 ppm2 7.231
ASSI { 403} (resid 53 and name HB2) (resid 53 and name HD21) 2.905 0.792 2.162 peak 403 weight 1.00000E+00 volume 7.22012E+04 ppm1 7.575 ppm2 2.099
ASSI { 404} (resid 53 and name HB2) (resid 53 and name HD22) 3.279 0.904 2.312 peak 404 weight 1.00000E+00 volume 2.44618E+04 ppm1 7.228 ppm2 2.118
ASSI { 916} (resid 53 and name HA) (resid 54 and name HN) 2.006 0.206 0.803 peak 916 weight 1.00000E+00 volume 2.25866E+05 ppm1 9.211 ppm2 5.668
ASSI { 919} (resid 53 and name HB1) (resid 54 and name HN) 3.106 0.852 2.242 peak 919 weight 1.00000E+00 volume 4.36112E+05 ppm1 9.214 ppm2 2.559
ASSI { 920} (resid 53 and name HB2) (resid 54 and name HN) 2.334 0.534 1.934 peak 920 weight 1.00000E+00 volume 2.42134E+06 ppm1 9.210 ppm2 2.101
ASSI { 388} (resid 54 and name HD1) (resid 54 and name HN) 2.888 0.786 1.155 peak 388 weight 1.00000E+00 volume 6.75284E+05 ppm1 9.214 ppm2 6.660
ASSI { 917} (resid 54 and name HA) (resid 54 and name HN) 2.906 0.792 1.163 peak 917 weight 1.00000E+00 volume -9.54311E+03 ppm1 9.211 ppm2 4.738
ASSI { 373} (resid 54 and name HN) (resid 55 and name HN) 4.977 1.413 0.023 peak 373 weight 1.00000E+00 volume 1.66552E+05 ppm1 9.560 ppm2 9.291
ASSI { 379} (resid 54 and name HA) (resid 55 and name HN) 2.338 0.538 0.935 peak 379 weight 1.00000E+00 volume 4.39382E+05 ppm1 9.564 ppm2 4.662
ASSI { 382} (resid 54 and name HB2) (resid 55 and name HN) 2.961 0.808 2.184 peak 382 weight 1.00000E+00 volume 1.44471E+05 ppm1 9.558 ppm2 2.273
ASSI { 27} (resid 54 and name HZ3) (resid 92 and name HN) 2.597 0.699 1.039 peak 27 weight 1.00000E+00 volume 1.14785E+05 ppm1 9.123 ppm2 7.121
ASSI { 378} (resid 55 and name HA1) (resid 55 and name HN) 2.859 0.778 1.144 peak 378 weight 1.00000E+00 volume 1.57565E+05 ppm1 9.560 ppm2 5.151
ASSI { 381} (resid 55 and name HA2) (resid 55 and name HN) 2.495 0.668 0.998 peak 381 weight 1.00000E+00 volume 2.61180E+05 ppm1 9.559 ppm2 3.276
ASSI { 368} (resid 55 and name HA2) (resid 56 and name HN) 2.465 0.659 0.986 peak 368 weight 1.00000E+00 volume 1.74753E+06 ppm1 8.678 ppm2 3.268
ASSI { 282} (resid 55 and name HA2) (resid 66 and name HN) 3.117 0.855 1.247 peak 282 weight 1.00000E+00 volume 3.59905E+04 ppm1 8.850 ppm2 3.219
ASSI { 367} (resid 56 and name HA) (resid 56 and name HN) 3.350 0.925 1.340 peak 367 weight 1.00000E+00 volume 2.77122E+05 ppm1 8.678 ppm2 4.913
ASSI { 369} (resid 56 and name HG12) (resid 56 and name HN) 2.358 0.558 1.943 peak 369 weight 1.00000E+00 volume 2.27898E+06 ppm1 8.680 ppm2 1.925
ASSI { 370} (resid 56 and name HG11) (resid 56 and name HN) 3.167 0.87 2.267 peak 370 weight 1.00000E+00 volume 3.88430E+05 ppm1 8.680 ppm2 1.291
ASSI { 371} (resid 56 and name HD1#) (resid 56 and name HN) 2.474 0.662 2.49 peak 371 weight 1.00000E+00 volume 1.70711E+06 ppm1 8.673 ppm2 0.918
ASSI { 359} (resid 56 and name HA) (resid 57 and name HN) 2.438 0.638 0.975 peak 359 weight 1.00000E+00 volume 5.10748E+05 ppm1 9.753 ppm2 4.852
ASSI { 362} (resid 56 and name HG12) (resid 57 and name HN) 3.269 0.901 2.308 peak 362 weight 1.00000E+00 volume 5.64959E+04 ppm1 9.752 ppm2 1.924
ASSI { 363} (resid 56 and name HG11) (resid 57 and name HN) 3.412 0.944 2.365 peak 363 weight 1.00000E+00 volume 6.20187E+04 ppm1 9.759 ppm2 1.264
ASSI { 302} (resid 56 and name HG12) (resid 64 and name HN) 2.615 0.704 2.046 peak 302 weight 1.00000E+00 volume 1.46159E+05 ppm1 7.421 ppm2 1.924
ASSI { 303} (resid 56 and name HD1#) (resid 64 and name HN) 2.071 0.271 2.329 peak 303 weight 1.00000E+00 volume 3.87834E+05 ppm1 7.422 ppm2 0.919
ASSI { 365} (resid 56 and name HN) (resid 64 and name HN) 2.887 0.786 1.155 peak 365 weight 1.00000E+00 volume 6.76143E+05 ppm1 8.671 ppm2 7.403
ASSI { 377} (resid 57 and name HE#) (resid 55 and name HN) 2.745 0.743 3.498 peak 377 weight 1.00000E+00 volume 9.91762E+04 ppm1 9.562 ppm2 7.197
ASSI { 356} (resid 57 and name HD#) (resid 57 and name HN) 2.784 0.755 3.514 peak 356 weight 1.00000E+00 volume 2.29039E+05 ppm1 9.749 ppm2 7.123
ASSI { 361} (resid 57 and name HB2) (resid 57 and name HN) 3.410 0.943 2.364 peak 361 weight 1.00000E+00 volume 2.49082E+05 ppm1 9.758 ppm2 2.562
ASSI { 915} (resid 57 and name HA) (resid 58 and name HN) 2.201 0.401 0.881 peak 915 weight 1.00000E+00 volume 5.46780E+05 ppm1 9.202 ppm2 5.450
ASSI { 307} (resid 57 and name HA) (resid 63 and name HN) 2.718 0.736 1.087 peak 307 weight 1.00000E+00 volume 9.70735E+05 ppm1 8.960 ppm2 5.420
ASSI { 921} (resid 58 and name HG1#) (resid 58 and name HN) 2.181 0.381 1.873 peak 921 weight 1.00000E+00 volume 3.63538E+06 ppm1 9.208 ppm2 0.937
OR    {  921}  (resid  58  and  name  HG2#)  (resid  58  and  name  HN)
ASSI { 334} (resid 58 and name HG2#) (resid 59 and name HN) 2.670 0.721 2.068 peak 334 weight 1.00000E+00 volume 1.08198E+06 ppm1 9.688 ppm2 0.995
ASSI { 908} (resid 58 and name HN) (resid 61 and name HN) 2.875 0.783 1.150 peak 908 weight 1.00000E+00 volume -1.87907E+04 ppm1 7.904 ppm2 9.243
ASSI { 927} (resid 58 and name HG2#) (resid 88 and name HN) 3.258 0.897 2.303 peak 927 weight 1.00000E+00 volume 3.31373E+04 ppm1 8.394 ppm2 1.014
ASSI { 333} (resid 59 and name HN) (resid 58 and name HA) 2.213 0.413 0.885 peak 333 weight 1.00000E+00 volume 3.33163E+06 ppm1 9.689 ppm2 4.754
ASSI { 335} (resid 59 and name HN) (resid 59 and name HB2) 2.850 0.775 2.14 peak 335 weight 1.00000E+00 volume 7.30593E+05 ppm1 9.684 ppm2 3.110
ASSI { 337} (resid 60 and name HN) (resid 59 and name HN) 2.881 0.784 1.152 peak 337 weight 1.00000E+00 volume 6.85020E+05 ppm1 9.682 ppm2 9.304
ASSI { 932} (resid 61 and name HN) (resid 60 and name HA1) 3.234 0.89 1.294 peak 932 weight 1.00000E+00 volume 3.42517E+05 ppm1 7.905 ppm2 3.676
ASSI { 907} (resid 61 and name HB1) (resid 61 and name HN) 2.261 0.461 1.904 peak 907 weight 1.00000E+00 volume 2.93401E+06 ppm1 7.908 ppm2 2.106
ASSI { 318} (resid 62 and name HN) (resid 61 and name HB1) 2.897 0.789 2.159 peak 318 weight 1.00000E+00 volume 2.54756E+04 ppm1 8.938 ppm2 2.101
ASSI { 316} (resid 62 and name HA) (resid 62 and name HN) 3.023 0.827 1.209 peak 316 weight 1.00000E+00 volume 5.13157E+05 ppm1 8.937 ppm2 3.664
ASSI { 319} (resid 62 and name HB1) (resid 62 and name HN) 2.413 0.613 1.965 peak 319 weight 1.00000E+00 volume 1.23933E+05 ppm1 8.938 ppm2 1.733
ASSI { 320} (resid 62 and name HB2) (resid 62 and name HN) 2.452 0.652 1.981 peak 320 weight 1.00000E+00 volume 1.80289E+06 ppm1 8.939 ppm2 1.305
ASSI { 906} (resid 62 and name HG2) (resid 62 and name HN) 3.795 1.059 2.205 peak 906 weight 1.00000E+00 volume 1.31088E+05 ppm1 8.938 ppm2 0.545
ASSI { 309} (resid 62 and name HA) (resid 63 and name HN) 2.118 0.318 0.847 peak 309 weight 1.00000E+00 volume 1.16968E+06 ppm1 8.957 ppm2 3.662
ASSI { 305} (resid 63 and name HN) (resid 56 and name HN) 4.285 1.206 0.715 peak 305 weight 1.00000E+00 volume 6.32710E+04 ppm1 8.958 ppm2 8.582
ASSI { 308} (resid 63 and name HN) (resid 63 and name HA) 2.856 0.777 1.142 peak 308 weight 1.00000E+00 volume 7.21572E+05 ppm1 8.959 ppm2 4.575
ASSI { 310} (resid 63 and name HB) (resid 63 and name HN) 3.159 0.868 1.264 peak 310 weight 1.00000E+00 volume 2.06607E+05 ppm1 8.959 ppm2 2.277
ASSI { 311} (resid 63 and name HN) (resid 63 and name HG1#) 2.099 0.299 1.839 peak 311 weight 1.00000E+00 volume 7.29048E+05 ppm1 8.956 ppm2 0.930
ASSI { 297} (resid 63 and name HN) (resid 64 and name HN) 2.173 0.373 0.869 peak 297 weight 1.00000E+00 volume 7.29914E+05 ppm1 7.422 ppm2 8.947
ASSI { 298} (resid 64 and name HD#) (resid 64 and name HN) 2.664 0.719 3.465 peak 298 weight 1.00000E+00 volume 2.53108E+05 ppm1 7.422 ppm2 7.026
ASSI { 301} (resid 64 and name HB2) (resid 64 and name HN) 2.631 0.709 2.052 peak 301 weight 1.00000E+00 volume 1.37823E+05 ppm1 7.423 ppm2 2.244
ASSI { 934} (resid 64 and name HA) (resid 64 and name HN) 2.759 0.748 1.104 peak 934 weight 1.00000E+00 volume 1.67395E+05 ppm1 7.419 ppm2 4.750
ASSI { 294} (resid 64 and name HB1) (resid 65 and name HN) 3.597 0.999 2.403 peak 294 weight 1.00000E+00 volume 1.80830E+05 ppm1 6.896 ppm2 3.399
ASSI { 296} (resid 64 and name HB2) (resid 65 and name HN) 3.933 1.1 2.067 peak 296 weight 1.00000E+00 volume 1.05874E+05 ppm1 6.892 ppm2 2.229
ASSI { 278} (resid 64 and name HE#) (resid 66 and name HN) 3.637 1.011 3.763 peak 278 weight 1.00000E+00 volume 1.69260E+05 ppm1 8.851 ppm2 6.754
ASSI { 384} (resid 65 and name HG2#) (resid 55 and name HN) 2.426 0.626 2.471 peak 384 weight 1.00000E+00 volume 1.92007E+06 ppm1 9.558 ppm2 0.933
OR    {  384}  (resid  94  and  name  HG2#)  (resid  55  and  name  HN)
ASSI { 366} (resid 65 and name HA) (resid 56 and name HN) 2.190 0.39 0.876 peak 366 weight 1.00000E+00 volume 3.54649E+06 ppm1 8.682 ppm2 5.218
ASSI { 872} (resid 65 and name HN) (resid 64 and name HA) 2.414 0.614 0.966 peak 872 weight 1.00000E+00 volume 1.97992E+06 ppm1 6.892 ppm2 4.709
ASSI { 292} (resid 65 and name HA) (resid 65 and name HN) 2.978 0.813 1.191 peak 292 weight 1.00000E+00 volume 1.05247E+04 ppm1 6.892 ppm2 5.289
ASSI { 293} (resid 65 and name HB) (resid 65 and name HN) 2.877 0.783 1.151 peak 293 weight 1.00000E+00 volume 6.91353E+05 ppm1 6.895 ppm2 3.791
ASSI { 295} (resid 65 and name HG2#) (resid 65 and name HN) 3.047 0.834 2.719 peak 295 weight 1.00000E+00 volume 4.89316E+05 ppm1 6.894 ppm2 1.006
ASSI { 281} (resid 65 and name HB) (resid 66 and name HN) 2.925 0.798 1.170 peak 281 weight 1.00000E+00 volume -8.25346E+03 ppm1 8.851 ppm2 3.799
ASSI { 387} (resid 66 and name HN) (resid 54 and name HN) 2.347 0.547 0.939 peak 387 weight 1.00000E+00 volume 3.06566E+04 ppm1 9.214 ppm2 8.866
ASSI { 279} (resid 66 and name HN) (resid 65 and name HA) 2.108 0.308 0.843 peak 279 weight 1.00000E+00 volume -3.16100E+04 ppm1 8.850 ppm2 5.268
ASSI { 283} (resid 66 and name HN) (resid 65 and name HG2#) 2.454 0.654 2.482 peak 283 weight 1.00000E+00 volume -2.36737E+04 ppm1 8.850 ppm2 1.004
ASSI { 277} (resid 66 and name HD#) (resid 66 and name HN) 2.807 0.762 3.523 peak 277 weight 1.00000E+00 volume 8.69576E+03 ppm1 8.851 ppm2 6.937
ASSI { 280} (resid 66 and name HA) (resid 66 and name HN) 2.731 0.739 1.092 peak 280 weight 1.00000E+00 volume 3.21086E+04 ppm1 8.849 ppm2 5.027
ASSI { 268} (resid 66 and name HD#) (resid 67 and name HN) 3.276 0.903 3.71 peak 268 weight 1.00000E+00 volume 1.00848E+05 ppm1 8.874 ppm2 6.991
ASSI { 270} (resid 66 and name HA) (resid 67 and name HN) 2.081 0.281 0.832 peak 270 weight 1.00000E+00 volume 1.45493E+06 ppm1 8.875 ppm2 5.026
ASSI { 271} (resid 66 and name HB1) (resid 67 and name HN) 2.670 0.721 2.068 peak 271 weight 1.00000E+00 volume 2.29477E+05 ppm1 8.874 ppm2 3.236
ASSI { 272} (resid 66 and name HB2) (resid 67 and name HN) 2.427 0.627 1.971 peak 272 weight 1.00000E+00 volume 5.24581E+05 ppm1 8.872 ppm2 3.005
ASSI { 211} (resid 66 and name HA) (resid 72 and name HN) 3.082 0.845 1.233 peak 211 weight 1.00000E+00 volume 1.00693E+04 ppm1 8.487 ppm2 4.955
OR    {  211}  (resid  46  and  name  HA1)   (resid  72  and  name  HN)
ASSI { 269} (resid 67 and name HN) (resid 67 and name HA) 2.950 0.805 1.180 peak 269 weight 1.00000E+00 volume 1.91177E+05 ppm1 8.871 ppm2 5.738
ASSI { 273} (resid 67 and name HN) (resid 67 and name HB2) 2.129 0.329 1.851 peak 273 weight 1.00000E+00 volume 9.19187E+05 ppm1 8.871 ppm2 2.740
ASSI { 440} (resid 48 and name HB2) (resid 48 and name HN) 2.781 0.754 1.113 peak 440 weight 1.00000E+00 volume 8.46156E+05 ppm1 8.304 ppm2 4.190
ASSI { 262} (resid 68 and name HN) (resid 67 and name HA) 2.130 0.33 0.852 peak 262 weight 1.00000E+00 volume 8.41478E+05 ppm1 8.885 ppm2 5.729
ASSI { 265} (resid 68 and name HN) (resid 67 and name HB2) 2.807 0.762 2.123 peak 265 weight 1.00000E+00 volume 8.00215E+05 ppm1 8.883 ppm2 2.738
ASSI { 263} (resid 68 and name HA) (resid 68 and name HN) 2.687 0.726 1.075 peak 263 weight 1.00000E+00 volume 3.05933E+05 ppm1 8.884 ppm2 4.203
ASSI { 264} (resid 68 and name HN) (resid 68 and name HG2) 2.306 0.506 1.923 peak 264 weight 1.00000E+00 volume 5.78412E+05 ppm1 8.883 ppm2 2.921
ASSI { 266} (resid 68 and name HN) (resid 68 and name HB1) 2.168 0.368 1.867 peak 266 weight 1.00000E+00 volume 3.77547E+06 ppm1 8.884 ppm2 2.472
ASSI { 267} (resid 68 and name HN) (resid 68 and name HB2) 2.412 0.612 1.965 peak 267 weight 1.00000E+00 volume 2.20620E+05 ppm1 8.885 ppm2 2.311
ASSI { 248} (resid 68 and name HA) (resid 69 and name HN) 3.091 0.847 1.237 peak 248 weight 1.00000E+00 volume -2.25373E+04 ppm1 8.975 ppm2 4.206
ASSI { 251} (resid 68 and name HB1) (resid 69 and name HN) 2.939 0.802 2.176 peak 251 weight 1.00000E+00 volume 6.07698E+05 ppm1 8.977 ppm2 2.462
ASSI { 250} (resid 69 and name HN) (resid 67 and name HB2) 3.345 0.924 2.338 peak 250 weight 1.00000E+00 volume 2.79531E+05 ppm1 8.978 ppm2 2.740
ASSI { 249} (resid 69 and name HN) (resid 68 and name HG2) 4.665 1.32 1.335 peak 249 weight 1.00000E+00 volume 1.02066E+04 ppm1 8.978 ppm2 2.923
ASSI { 246} (resid 69 and name HN) (resid 69 and name HA) 2.608 0.702 1.043 peak 246 weight 1.00000E+00 volume 1.24547E+06 ppm1 8.975 ppm2 4.655
ASSI { 252} (resid 69 and name HG2) (resid 69 and name HN) 2.057 0.257 1.823 peak 252 weight 1.00000E+00 volume 5.17072E+06 ppm1 8.975 ppm2 1.772
ASSI { 253} (resid 69 and name HN) (resid 69 and name HD2) 2.476 0.663 1.99 peak 253 weight 1.00000E+00 volume -1.28894E+04 ppm1 8.975 ppm2 2.000
ASSI { 228} (resid 69 and name HN) (resid 70 and name HN) 2.319 0.519 0.928 peak 228 weight 1.00000E+00 volume 1.88116E+04 ppm1 8.041 ppm2 8.973
ASSI { 233} (resid 70 and name HN) (resid 67 and name HB2) 3.043 0.833 2.217 peak 233 weight 1.00000E+00 volume -1.73804E+04 ppm1 8.038 ppm2 2.733
ASSI { 229} (resid 70 and name HN) (resid 70 and name HA) 2.250 0.45 0.900 peak 229 weight 1.00000E+00 volume -5.57108E+03 ppm1 8.040 ppm2 4.474
ASSI { 230} (resid 70 and name HN) (resid 70 and name HB1) 2.096 0.296 1.839 peak 230 weight 1.00000E+00 volume 2.89011E+04 ppm1 8.040 ppm2 4.293
ASSI { 232} (resid 70 and name HN) (resid 70 and name HB2) 2.339 0.539 1.936 peak 232 weight 1.00000E+00 volume -3.53930E+04 ppm1 8.041 ppm2 4.094
ASSI { 222} (resid 71 and name HB) (resid 71 and name HN) 1.882 0.082 1.753 peak 222 weight 1.00000E+00 volume 8.82029E+06 ppm1 8.371 ppm2 4.477
ASSI { 224} (resid 71 and name HA) (resid 71 and name HN) 2.410 0.61 0.964 peak 224 weight 1.00000E+00 volume 1.83867E+05 ppm1 8.371 ppm2 3.828
ASSI { 225} (resid 71 and name HG2#) (resid 71 and name HN) 2.044 0.244 2.317 peak 225 weight 1.00000E+00 volume 5.37838E+06 ppm1 8.370 ppm2 1.201
ASSI { 212} (resid 71 and name HB) (resid 72 and name HN) 2.869 0.781 1.148 peak 212 weight 1.00000E+00 volume 7.02182E+05 ppm1 8.487 ppm2 4.541
ASSI { 204} (resid 71 and name HB) (resid 73 and name HN) 2.696 0.729 1.078 peak 204 weight 1.00000E+00 volume 1.02009E+06 ppm1 8.733 ppm2 4.480
ASSI { 869} (resid 72 and name HG1#) (resid 72 and name HN) 2.038 0.238 1.815 peak 869 weight 1.00000E+00 volume 5.45999E+06 ppm1 8.486 ppm2 1.176
ASSI { 870} (resid 72 and name HG2#) (resid 72 and name HN) 2.083 0.283 1.333 peak 870 weight 1.00000E+00 volume 4.79358E+06 ppm1 8.485 ppm2 1.020
ASSI { 207} (resid 72 and name HG1#) (resid 73 and name HN) 2.243 0.443 1.897 peak 207 weight 1.00000E+00 volume 2.64508E+05 ppm1 8.736 ppm2 1.142
ASSI { 171} (resid 72 and name HA) (resid 75 and name HN) 2.375 0.575 0.950 peak 171 weight 1.00000E+00 volume 1.19474E+04 ppm1 7.771 ppm2 3.841
ASSI { 163} (resid 72 and name HA) (resid 76 and name HN) 2.461 0.658 0.984 peak 163 weight 1.00000E+00 volume 2.69424E+04 ppm1 8.336 ppm2 3.879
ASSI { 166} (resid 72 and name HG1#) (resid 76 and name HN) 2.771 0.751 2.108 peak 166 weight 1.00000E+00 volume 8.65083E+05 ppm1 8.335 ppm2 1.104
!increased bound
ASSI { 201} (resid 73 and name HN) (resid 71 and name HN) 3.080 0.844 1.8 peak 201 weight 1.00000E+00 volume 4.58460E+05 ppm1 8.734 ppm2 8.315
ASSI { 200} (resid 73 and name HN) (resid 72 and name HN) 2.806 0.762 1.122 peak 200 weight 1.00000E+00 volume 8.02389E+05 ppm1 8.734 ppm2 8.489
ASSI { 213} (resid 73 and name HA1) (resid 72 and name HN) 1.922 0.122 0.769 peak 213 weight 1.00000E+00 volume -2.24215E+04 ppm1 8.485 ppm2 3.835
OR    {  213}  (resid  72  and  name  HA)    (resid  72  and  name  HN)
ASSI { 205} (resid 73 and name HN) (resid 73 and name HA1) 1.832 0.032 0.733 peak 205 weight 1.00000E+00 volume 1.03755E+07 ppm1 8.734 ppm2 3.823
ASSI { 206} (resid 73 and name HN) (resid 73 and name HA2) 2.875 0.783 1.150 peak 206 weight 1.00000E+00 volume 6.93319E+05 ppm1 8.732 ppm2 3.577
ASSI { 152} (resid 73 and name HA2) (resid 77 and name HN) 2.421 0.621 0.968 peak 152 weight 1.00000E+00 volume 1.94645E+06 ppm1 7.450 ppm2 3.565
ASSI { 185} (resid 74 and name HN) (resid 71 and name HB) 2.690 0.727 1.076 peak 185 weight 1.00000E+00 volume -6.08062E+03 ppm1 7.418 ppm2 4.501
ASSI { 866} (resid 74 and name HN) (resid 71 and name HN) 3.319 0.916 1.328 peak 866 weight 1.00000E+00 volume 2.92888E+05 ppm1 7.423 ppm2 8.394
ASSI { 186} (resid 74 and name HN) (resid 73 and name HA1) 2.436 0.636 0.975 peak 186 weight 1.00000E+00 volume -4.21721E+04 ppm1 7.417 ppm2 3.909
ASSI { 180} (resid 74 and name HN) (resid 73 and name HN) 2.809 0.763 1.124 peak 180 weight 1.00000E+00 volume -1.32208E+04 ppm1 7.416 ppm2 8.727
ASSI { 209} (resid 74 and name HD21) (resid 73 and name HN) 3.642 1.013 1.358 peak 209 weight 1.00000E+00 volume 9.34953E+04 ppm1 8.733 ppm2 7.766
ASSI { 182} (resid 74 and name HN) (resid 74 and name HD21) 2.633 0.71 1.053 peak 182 weight 1.00000E+00 volume 1.13429E+04 ppm1 7.418 ppm2 7.794
ASSI { 184} (resid 74 and name HA) (resid 74 and name HN) 3.335 0.921 1.334 peak 184 weight 1.00000E+00 volume -6.67112E+04 ppm1 7.416 ppm2 4.756
ASSI { 188} (resid 74 and name HB2) (resid 74 and name HN) 2.198 0.398 1.879 peak 188 weight 1.00000E+00 volume -3.03347E+04 ppm1 7.419 ppm2 3.023
ASSI { 189} (resid 74 and name HD21) (resid 74 and name HD22) 1.880 0.08 0.752 peak 189 weight 1.00000E+00 volume -5.46577E+04 ppm1 7.065 ppm2 7.738
ASSI { 196} (resid 74 and name HB2) (resid 74 and name HD22) 3.021 0.826 2.209 peak 196 weight 1.00000E+00 volume 1.52468E+04 ppm1 7.070 ppm2 3.009
ASSI { 197} (resid 74 and name HB2) (resid 74 and name HD21) 2.662 0.719 2.065 peak 197 weight 1.00000E+00 volume 4.52130E+04 ppm1 7.746 ppm2 3.025
ASSI { 868} (resid 74 and name HN) (resid 74 and name HD22) 3.138 0.861 1.255 peak 868 weight 1.00000E+00 volume 4.10393E+05 ppm1 7.418 ppm2 7.023
ASSI { 172} (resid 74 and name HB2) (resid 75 and name HN) 2.311 0.511 1.924 peak 172 weight 1.00000E+00 volume 3.64039E+04 ppm1 7.772 ppm2 3.006
ASSI { 864} (resid 74 and name HN) (resid 75 and name HN) 2.303 0.503 0.921 peak 864 weight 1.00000E+00 volume 2.62753E+06 ppm1 7.774 ppm2 7.392
ASSI { 162} (resid 74 and name HB2) (resid 77 and name HD22) 2.533 0.68 2.013 peak 162 weight 1.00000E+00 volume 7.13947E+04 ppm1 7.790 ppm2 2.917
OR    {  162}  (resid  77  and  name  HB1)   (resid  77  and  name  HD22)
ASSI { 234} (resid 75 and name HG12) (resid 70 and name HN) 2.786 0.756 2.114 peak 234 weight 1.00000E+00 volume -4.62597E+04 ppm1 8.040 ppm2 1.751
ASSI { 174} (resid 75 and name HB) (resid 75 and name HN) 2.275 0.475 0.910 peak 174 weight 1.00000E+00 volume 2.82811E+06 ppm1 7.772 ppm2 1.468
ASSI { 176} (resid 75 and name HG11) (resid 75 and name HN) 2.336 0.536 1.934 peak 176 weight 1.00000E+00 volume 2.41126E+06 ppm1 7.771 ppm2 1.028
ASSI { 177} (resid 75 and name HD1#) (resid 75 and name HN) 2.733 0.74 2.593 peak 177 weight 1.00000E+00 volume 9.40052E+05 ppm1 7.771 ppm2 0.831
ASSI { 165} (resid 75 and name HB) (resid 76 and name HN) 2.232 0.432 0.893 peak 165 weight 1.00000E+00 volume 4.35365E+04 ppm1 8.335 ppm2 1.467
ASSI { 863} (resid 75 and name HN) (resid 76 and name HN) 2.430 0.63 0.972 peak 863 weight 1.00000E+00 volume -2.78915E+04 ppm1 8.338 ppm2 7.764
ASSI { 164} (resid 76 and name HN) (resid 76 and name HB1) 1.885 0.085 1.754 peak 164 weight 1.00000E+00 volume 1.14505E+05 ppm1 8.336 ppm2 3.561
ASSI { 153} (resid 76 and name HA) (resid 77 and name HN) 2.300 0.5 0.920 peak 153 weight 1.00000E+00 volume 4.95278E+05 ppm1 7.452 ppm2 4.468
ASSI { 155} (resid 76 and name HN) (resid 77 and name HN) 2.349 0.549 0.940 peak 155 weight 1.00000E+00 volume 2.39388E+05 ppm1 7.449 ppm2 8.388
ASSI { 159} (resid 77 and name HD22) (resid 37 and name HA) 2.981 0.814 1.192 peak 159 weight 1.00000E+00 volume 5.58564E+05 ppm1 7.791 ppm2 4.752
ASSI { 160} (resid 77 and name HD21) (resid 37 and name HA) 2.844 0.773 1.138 peak 160 weight 1.00000E+00 volume -6.81463E+04 ppm1 6.836 ppm2 4.752
ASSI { 151} (resid 77 and name HB1) (resid 77 and name HN) 1.971 0.171 1.789 peak 151 weight 1.00000E+00 volume 6.67310E+06 ppm1 7.451 ppm2 2.937
ASSI { 156} (resid 77 and name HD21) (resid 77 and name HD22) 1.975 0.175 0.790 peak 156 weight 1.00000E+00 volume 1.33463E+05 ppm1 6.835 ppm2 7.777
ASSI { 161} (resid 77 and name HB1) (resid 77 and name HD21) 3.395 0.938 2.358 peak 161 weight 1.00000E+00 volume 2.55955E+05 ppm1 6.835 ppm2 2.933
OR    {  161}  (resid  74  and  name  HB2)   (resid  77  and  name  HD21)
ASSI { 146} (resid 77 and name HB2) (resid 78 and name HN) 2.162 0.362 1.865 peak 146 weight 1.00000E+00 volume 6.35309E+05 ppm1 8.044 ppm2 2.926
ASSI { 131} (resid 77 and name HB2) (resid 80 and name HD21) 2.706 0.732 2.082 peak 131 weight 1.00000E+00 volume 9.98546E+05 ppm1 7.818 ppm2 2.838
ASSI { 132} (resid 77 and name HB2) (resid 80 and name HD22) 2.550 0.685 2.02 peak 132 weight 1.00000E+00 volume 1.42421E+06 ppm1 7.212 ppm2 2.842
ASSI { 145} (resid 78 and name HB1) (resid 78 and name HN) 2.635 0.711 2.054 peak 145 weight 1.00000E+00 volume 3.59827E+05 ppm1 8.046 ppm2 2.289
ASSI { 148} (resid 78 and name HN) (resid 78 and name HB2) 2.143 0.343 1.857 peak 148 weight 1.00000E+00 volume 4.04383E+06 ppm1 8.044 ppm2 3.085
ASSI { 150} (resid 78 and name HA) (resid 78 and name HN) 2.053 0.253 0.821 peak 150 weight 1.00000E+00 volume 5.23629E+06 ppm1 8.046 ppm2 4.164
ASSI { 922} (resid 78 and name HB2) (resid 79 and name HN) 2.279 0.479 1.912 peak 922 weight 1.00000E+00 volume 1.79194E+05 ppm1 8.006 ppm2 3.030
OR    {  922}  (resid  79  and  name  HA)    (resid  79  and  name  HN)
ASSI { 530} (resid 79 and name HG2#) (resid 38 and name HN) 3.735 1.041 2.765 peak 530 weight 1.00000E+00 volume 6.09282E+04 ppm1 9.339 ppm2 0.551
ASSI { 924} (resid 79 and name HN) (resid 79 and name HB) 2.055 0.255 0.822 peak 924 weight 1.00000E+00 volume 2.63490E+05 ppm1 8.009 ppm2 1.475
ASSI { 925} (resid 79 and name HG12) (resid 79 and name HN) 2.462 0.659 1.985 peak 925 weight 1.00000E+00 volume 1.14378E+05 ppm1 8.009 ppm2 0.287
ASSI { 926} (resid 79 and name HG2#) (resid 79 and name HN) 2.408 0.608 2.463 peak 926 weight 1.00000E+00 volume 8.76544E+04 ppm1 8.011 ppm2 0.468
ASSI { 122} (resid 79 and name HG2#) (resid 80 and name HN) 2.618 0.705 2.547 peak 122 weight 1.00000E+00 volume 1.27527E+05 ppm1 8.112 ppm2 0.558
ASSI { 126} (resid 79 and name HD1#) (resid 80 and name HN) 4.488 1.266 2.012 peak 126 weight 1.00000E+00 volume 4.79240E+04 ppm1 8.108 ppm2 0.370
ASSI { 103} (resid 79 and name HA) (resid 82 and name HN) 3.507 0.972 1.403 peak 103 weight 1.00000E+00 volume 2.10624E+05 ppm1 7.326 ppm2 2.960
ASSI { 136} (resid 80 and name HD21) (resid 38 and name HN) 3.105 0.851 1.242 peak 136 weight 1.00000E+00 volume 2.81276E+04 ppm1 7.824 ppm2 9.320
ASSI { 135} (resid 80 and name HD22) (resid 38 and name HN) 3.515 0.975 1.406 peak 135 weight 1.00000E+00 volume -1.68094E+04 ppm1 7.207 ppm2 9.345
ASSI { 129} (resid 80 and name HD22) (resid 76 and name HB1) 3.595 0.998 2.405 peak 129 weight 1.00000E+00 volume 4.02242E+03 ppm1 7.219 ppm2 3.563
ASSI { 130} (resid 80 and name HD21) (resid 76 and name HB1) 3.899 1.09 2.101 peak 130 weight 1.00000E+00 volume 7.12131E+03 ppm1 7.816 ppm2 3.555
ASSI { 118} (resid 80 and name HB1) (resid 80 and name HN) 2.001 0.201 1.801 peak 118 weight 1.00000E+00 volume 6.09365E+06 ppm1 8.109 ppm2 2.860
ASSI { 127} (resid 80 and name HD21) (resid 80 and name HD22) 2.049 0.249 0.820 peak 127 weight 1.00000E+00 volume 5.29467E+06 ppm1 7.212 ppm2 7.827
ASSI { 896} (resid 80 and name HA) (resid 80 and name HN) 2.321 0.521 0.928 peak 896 weight 1.00000E+00 volume 1.94983E+05 ppm1 8.107 ppm2 4.660
ASSI { 119} (resid 80 and name HN) (resid 81 and name HG1) 2.248 0.448 1.899 peak 119 weight 1.00000E+00 volume 2.06945E+05 ppm1 8.111 ppm2 1.469
OR    {  119}  (resid  37  and  name  HB2)   (resid  80  and  name  HN)
ASSI { 113} (resid 81 and name HA) (resid 81 and name HN) 2.554 0.686 1.022 peak 113 weight 1.00000E+00 volume 1.41024E+06 ppm1 7.868 ppm2 4.130
ASSI { 114} (resid 81 and name HE1) (resid 81 and name HN) 2.817 0.765 2.127 peak 114 weight 1.00000E+00 volume 7.83805E+05 ppm1 7.872 ppm2 2.845
ASSI { 115} (resid 81 and name HB1) (resid 81 and name HN) 2.177 0.377 1.871 peak 115 weight 1.00000E+00 volume 4.08986E+04 ppm1 7.870 ppm2 1.928
ASSI { 108} (resid 81 and name HB1) (resid 82 and name HN) 2.172 0.372 1.869 peak 108 weight 1.00000E+00 volume 3.72643E+06 ppm1 7.319 ppm2 1.954
ASSI { 109} (resid 82 and name HN) (resid 81 and name HG1) 2.708 0.732 2.083 peak 109 weight 1.00000E+00 volume 9.93456E+05 ppm1 7.324 ppm2 1.528
ASSI { 111} (resid 82 and name HN) (resid 81 and name HN) 2.568 0.69 1.027 peak 111 weight 1.00000E+00 volume -2.09056E+04 ppm1 7.869 ppm2 7.309
ASSI { 104} (resid 82 and name HB1) (resid 82 and name HN) 1.971 0.171 1.789 peak 104 weight 1.00000E+00 volume 6.67195E+06 ppm1 7.322 ppm2 1.750
ASSI { 105} (resid 82 and name HB2) (resid 82 and name HN) 2.551 0.685 2.021 peak 105 weight 1.00000E+00 volume 1.42056E+06 ppm1 7.320 ppm2 1.377
ASSI { 857} (resid 82 and name HA) (resid 82 and name HN) 2.339 0.539 0.935 peak 857 weight 1.00000E+00 volume 2.39489E+06 ppm1 7.322 ppm2 4.097
ASSI { 92} (resid 82 and name HB1) (resid 83 and name HN) 2.826 0.768 2.13 peak 92 weight 1.00000E+00 volume 7.68835E+05 ppm1 7.515 ppm2 1.826
ASSI { 93} (resid 82 and name HB2) (resid 83 and name HN) 4.166 1.17 1.834 peak 93 weight 1.00000E+00 volume -6.16831E+03 ppm1 7.515 ppm2 1.390
ASSI { 85} (resid 82 and name HB1) (resid 84 and name HN) 2.351 0.551 1.941 peak 85 weight 1.00000E+00 volume 4.98632E+04 ppm1 9.272 ppm2 1.811
ASSI { 95} (resid 83 and name HN) (resid 81 and name HA) 3.366 0.93 1.346 peak 95 weight 1.00000E+00 volume 2.69404E+05 ppm1 7.519 ppm2 4.198
ASSI { 110} (resid 83 and name HN) (resid 81 and name HN) 2.937 0.801 1.175 peak 110 weight 1.00000E+00 volume 6.10746E+05 ppm1 7.866 ppm2 7.472
ASSI { 88} (resid 83 and name HN) (resid 83 and name HA) 2.064 0.264 0.826 peak 88 weight 1.00000E+00 volume 3.01466E+04 ppm1 7.513 ppm2 4.400
ASSI { 90} (resid 83 and name HN) (resid 83 and name HB1) 2.838 0.771 2.135 peak 90 weight 1.00000E+00 volume 7.49628E+05 ppm1 7.513 ppm2 3.028
ASSI { 91} (resid 83 and name HN) (resid 83 and name HB2) 2.937 0.801 2.175 peak 91 weight 1.00000E+00 volume -9.62259E+03 ppm1 7.513 ppm2 2.657
ASSI { 97} (resid 83 and name HD21) (resid 83 and name HD22) 1.800 0.00 0.711 peak 97 weight 1.00000E+00 volume 1.16479E+07 ppm1 6.613 ppm2 7.348
ASSI { 77} (resid 83 and name HN) (resid 84 and name HN) 2.909 0.793 1.164 peak 77 weight 1.00000E+00 volume 1.36472E+04 ppm1 9.273 ppm2 7.489
ASSI { 96} (resid 83 and name HN) (resid 84 and name HD1#) 5.000 1.42 1.5 peak 96 weight 1.00000E+00 volume 1.59847E+03 ppm1 7.512 ppm2 0.844

!increased 1A
ASSI { 555} (resid 84 and name HB) (resid 35 and name HN) 2.500 0.67 2.000 peak 555 weight 1.00000E+00 volume 1.60527E+06 ppm1 7.817 ppm2 1.751
OR    {  555}  (resid  36  and  name  HB1)   (resid  35  and  name  HN)
!increased 1A
ASSI { 879} (resid 84 and name HB) (resid 36 and name HN) 2.209 0.409 1.884 peak 879 weight 1.00000E+00 volume -2.19031E+04 ppm1 8.530 ppm2 1.867

ASSI { 78} (resid 84 and name HN) (resid 83 and name HA) 2.514 0.674 1.006 peak 78 weight 1.00000E+00 volume 5.40535E+04 ppm1 9.269 ppm2 4.386
ASSI { 80} (resid 84 and name HA) (resid 84 and name HN) 3.042 0.832 1.217 peak 80 weight 1.00000E+00 volume 3.85102E+04 ppm1 9.271 ppm2 3.679
ASSI { 84} (resid 84 and name HN) (resid 84 and name HG12) 2.474 0.662 1.99 peak 84 weight 1.00000E+00 volume 6.26533E+04 ppm1 9.274 ppm2 0.886
ASSI { 71} (resid 84 and name HG12) (resid 85 and name HN) 2.844 0.773 2.137 peak 71 weight 1.00000E+00 volume 7.40757E+05 ppm1 8.157 ppm2 0.971
ASSI { 75} (resid 84 and name HA) (resid 85 and name HN) 2.127 0.327 0.851 peak 75 weight 1.00000E+00 volume 4.22584E+06 ppm1 8.158 ppm2 3.676
ASSI { 72} (resid 85 and name HN) (resid 85 and name HG1) 2.935 0.8 2.174 peak 72 weight 1.00000E+00 volume 6.13231E+05 ppm1 8.157 ppm2 1.398
ASSI { 73} (resid 85 and name HN) (resid 85 and name HB2) 2.461 0.658 1.984 peak 73 weight 1.00000E+00 volume 1.76525E+06 ppm1 8.159 ppm2 1.686
ASSI { 76} (resid 85 and name HN) (resid 85 and name HA) 2.915 0.794 1.166 peak 76 weight 1.00000E+00 volume 6.38664E+05 ppm1 8.157 ppm2 5.295
ASSI { 64} (resid 85 and name HA) (resid 86 and name HN) 2.167 0.367 0.867 peak 64 weight 1.00000E+00 volume 5.11674E+05 ppm1 8.507 ppm2 5.277
ASSI { 65} (resid 86 and name HN) (resid 86 and name HA1) 2.983 0.815 1.193 peak 65 weight 1.00000E+00 volume 1.25139E+05 ppm1 8.509 ppm2 4.287
ASSI { 66} (resid 86 and name HN) (resid 87 and name HD2) 2.810 0.763 2.124 peak 66 weight 1.00000E+00 volume 1.47955E+05 ppm1 8.508 ppm2 3.477
ASSI { 68} (resid 86 and name HN) (resid 87 and name HG2) 2.482 0.665 1.993 peak 68 weight 1.00000E+00 volume 1.54302E+05 ppm1 8.511 ppm2 1.750
OR    {  68}   (resid  85  and  name  HB2)   (resid  86  and  name  HN)
ASSI { 797} (resid 88 and name HB2) (resid 9 and name HN) 3.105 0.852 2.242 peak 797 weight 1.00000E+00 volume 1.28271E+04 ppm1 8.261 ppm2 3.120
ASSI { 60} (resid 88 and name HN) (resid 59 and name HN) 3.117 0.855 1.247 peak 60 weight 1.00000E+00 volume 3.24302E+05 ppm1 8.401 ppm2 9.717
ASSI { 59} (resid 88 and name HB2) (resid 88 and name HN) 2.220 0.42 1.888 peak 59 weight 1.00000E+00 volume 3.27134E+06 ppm1 8.400 ppm2 3.113
ASSI { 894} (resid 88 and name HD#) (resid 88 and name HN) 2.616 0.705 3.447 peak 894 weight 1.00000E+00 volume 8.10877E+04 ppm1 8.401 ppm2 7.123
ASSI { 51} (resid 88 and name HA) (resid 89 and name HN) 2.408 0.608 0.963 peak 51 weight 1.00000E+00 volume 2.00972E+06 ppm1 9.678 ppm2 4.480
ASSI { 364} (resid 89 and name HG2#) (resid 57 and name HN) 2.685 0.726 2.574 peak 364 weight 1.00000E+00 volume 1.04486E+06 ppm1 9.750 ppm2 0.830
OR    {  364}  (resid  57  and  name  HN)    (resid  56  and  name  HG2#)
ASSI { 50} (resid 89 and name HG12) (resid 89 and name HN) 2.422 0.622 1.969 peak 50 weight 1.00000E+00 volume 1.93893E+06 ppm1 9.679 ppm2 1.557
ASSI { 52} (resid 89 and name HN) (resid 89 and name HA) 2.710 0.733 1.084 peak 52 weight 1.00000E+00 volume 9.89314E+05 ppm1 9.679 ppm2 5.108
ASSI { 930} (resid 89 and name HG11) (resid 89 and name HN) 2.710 0.733 2.084 peak 930 weight 1.00000E+00 volume 9.89971E+05 ppm1 9.672 ppm2 0.827
ASSI { 43} (resid 90 and name HN) (resid 56 and name HG2#) 2.378 0.578 2.451 peak 43 weight 1.00000E+00 volume 2.13535E+04 ppm1 9.275 ppm2 0.838
ASSI { 355} (resid 90 and name HN) (resid 57 and name HN) 3.098 0.849 1.239 peak 355 weight 1.00000E+00 volume 4.43237E+05 ppm1 9.757 ppm2 9.298
ASSI { 39} (resid 90 and name HN) (resid 89 and name HA) 2.178 0.378 0.871 peak 39 weight 1.00000E+00 volume 8.47804E+04 ppm1 9.276 ppm2 5.024
ASSI { 44} (resid 90 and name HN) (resid 89 and name HG2#) 2.537 0.681 2.515 peak 44 weight 1.00000E+00 volume 3.91634E+04 ppm1 9.278 ppm2 0.741
ASSI { 41} (resid 90 and name HB2) (resid 90 and name HN) 2.610 0.703 2.044 peak 41 weight 1.00000E+00 volume 1.23811E+06 ppm1 9.276 ppm2 2.009
ASSI { 851} (resid 90 and name HA) (resid 90 and name HN) 3.040 0.832 1.216 peak 851 weight 1.00000E+00 volume 4.96258E+05 ppm1 9.269 ppm2 4.682
ASSI { 31} (resid 90 and name HB2) (resid 91 and name HN) 2.227 0.427 1.891 peak 31 weight 1.00000E+00 volume 2.10586E+05 ppm1 8.826 ppm2 2.012
OR    {  31}   (resid  91  and  name  HB)    (resid  91  and  name  HN)
ASSI { 848} (resid 90 and name HA) (resid 91 and name HN) 2.275 0.475 0.910 peak 848 weight 1.00000E+00 volume 2.82237E+06 ppm1 8.830 ppm2 4.663
ASSI { 28} (resid 91 and name HD1#) (resid 91 and name HN) 2.697 0.729 2.579 peak 28 weight 1.00000E+00 volume 7.96661E+04 ppm1 8.823 ppm2 0.834
ASSI { 29} (resid 91 and name HG12) (resid 91 and name HN) 2.565 0.69 2.026 peak 29 weight 1.00000E+00 volume 1.17893E+05 ppm1 8.825 ppm2 1.198
ASSI { 30} (resid 91 and name HG11) (resid 91 and name HN) 2.923 0.797 2.169 peak 30 weight 1.00000E+00 volume 6.27493E+05 ppm1 8.823 ppm2 1.644
ASSI { 26} (resid 91 and name HA) (resid 92 and name HN) 2.067 0.267 0.827 peak 26 weight 1.00000E+00 volume 5.01887E+06 ppm1 9.124 ppm2 5.581
ASSI { 374} (resid 92 and name HN) (resid 55 and name HN) 2.514 0.674 1.006 peak 374 weight 1.00000E+00 volume 4.47074E+05 ppm1 9.558 ppm2 9.133
ASSI { 383} (resid 92 and name HG2) (resid 55 and name HN) 2.784 0.755 2.114 peak 383 weight 1.00000E+00 volume 1.26826E+05 ppm1 9.558 ppm2 1.174
ASSI { 19} (resid 92 and name HD2) (resid 92 and name HN) 2.131 0.331 1.852 peak 19 weight 1.00000E+00 volume 4.18021E+06 ppm1 9.125 ppm2 1.225
ASSI { 24} (resid 92 and name HA) (resid 92 and name HN) 2.608 0.702 1.043 peak 24 weight 1.00000E+00 volume 1.24439E+06 ppm1 9.123 ppm2 5.026
ASSI { 13} (resid 92 and name HA) (resid 93 and name HN) 2.007 0.207 0.803 peak 13 weight 1.00000E+00 volume 4.18919E+05 ppm1 8.230 ppm2 5.026
ASSI { 16} (resid 92 and name HB2) (resid 93 and name HN) 2.317 0.517 1.927 peak 16 weight 1.00000E+00 volume 1.17951E+05 ppm1 8.234 ppm2 1.742
ASSI { 380} (resid 93 and name HA) (resid 55 and name HN) 3.005 0.822 1.202 peak 380 weight 1.00000E+00 volume 1.07350E+05 ppm1 9.557 ppm2 3.694
ASSI { 14} (resid 93 and name HA) (resid 93 and name HN) 2.822 0.767 1.129 peak 14 weight 1.00000E+00 volume 6.29276E+04 ppm1 8.231 ppm2 3.664
ASSI { 17} (resid 93 and name HB2) (resid 93 and name HN) 2.598 0.699 2.039 peak 17 weight 1.00000E+00 volume 1.27383E+06 ppm1 8.230 ppm2 1.470
ASSI { 18} (resid 93 and name HG1) (resid 93 and name HN) 2.004 0.204 1.802 peak 18 weight 1.00000E+00 volume 6.04985E+06 ppm1 8.233 ppm2 1.010
ASSI { 6} (resid 94 and name HN) (resid 53 and name HB2) 3.150 0.865 2.26 peak 6 weight 1.00000E+00 volume 4.01124E+05 ppm1 7.798 ppm2 2.012
ASSI { 10} (resid 94 and name HN) (resid 54 and name HA) 3.656 1.017 1.344 peak 10 weight 1.00000E+00 volume 1.78153E+05 ppm1 7.800 ppm2 4.656
ASSI { 385} (resid 94 and name HD1#) (resid 55 and name HN) 2.884 0.785 2.654 peak 385 weight 1.00000E+00 volume 6.80416E+05 ppm1 9.558 ppm2 0.722
ASSI { 7} (resid 94 and name HN) (resid 93 and name HA) 1.998 0.198 0.799 peak 7 weight 1.00000E+00 volume 6.15582E+06 ppm1 7.800 ppm2 3.676
ASSI { 12} (resid 94 and name HN) (resid 93 and name HB2) 3.138 0.861 2.255 peak 12 weight 1.00000E+00 volume 5.45595E+04 ppm1 7.799 ppm2 1.503
ASSI { 3} (resid 94 and name HD1#) (resid 94 and name HN) 2.257 0.457 2.403 peak 3 weight 1.00000E+00 volume 2.96276E+06 ppm1 7.799 ppm2 0.706
ASSI { 4} (resid 94 and name HN) (resid 94 and name HG12) 2.174 0.374 1.87 peak 4 weight 1.00000E+00 volume 3.70818E+06 ppm1 7.800 ppm2 1.069
ASSI { 9} (resid 94 and name HN) (resid 94 and name HA) 2.827 0.768 1.131 peak 9 weight 1.00000E+00 volume 7.67922E+05 ppm1 7.794 ppm2 4.286
ASSI { 11} (resid 94 and name HG2#) (resid 94 and name HN) 2.453 0.653 2.481 peak 11 weight 1.00000E+00 volume 2.37386E+05 ppm1 7.799 ppm2 0.921
!!13C!!
ASSI { 240} (resid 4 and name HB1) (resid 2 and name HA) 2.438 0.638 1.731 peak 240 weight 1.00000E+00 volume 8.41883E+05 ppm1 4.588 ppm2 1.755
ASSI { 241} (resid 4 and name HB2) (resid 2 and name HA) 2.540 0.682 1.762 peak 241 weight 1.00000E+00 volume 6.57857E+05 ppm1 4.592 ppm2 1.927
ASSI { 116} (resid 5 and name HA) (resid 5 and name HB#) 2.538 0.681 2.261 peak 116 weight 1.00000E+00 volume 3.49587E+05 ppm1 4.260 ppm2 1.392
ASSI { 938} (resid 6 and name HA) (resid 6 and name HB2) 2.967 0.81 1.89 peak 938 weight 1.00000E+00 volume 2.59047E+05 ppm1 1.704 ppm2 4.236
ASSI { 931} (resid 6 and name HA) (resid 6 and name HB1) 2.277 0.477 1.683 peak 931 weight 1.00000E+00 volume 1.07795E+05 ppm1 4.277 ppm2 1.623
ASSI { 940} (resid 6 and name HB2) (resid 6 and name HB1) 1.811 0.011 2.543 peak 940 weight 1.00000E+00 volume 5.00236E+06 ppm1 1.698 ppm2 1.604
ASSI { 1984} (resid 9 and name HG1) (resid 9 and name HB2) 2.594 0.698 2.778 peak 1984 weight 1.00000E+00 volume 4.96052E+04 ppm1 2.636 ppm2 2.125
ASSI { 1985} (resid 9 and name HG1) (resid 9 and name HB1) 2.598 0.699 2.779 peak 1985 weight 1.00000E+00 volume 5.81637E+04 ppm1 2.553 ppm2 2.125
ASSI { 1958} (resid 9 and name HG2) (resid 13 and name HG2#) 2.492 0.668 3.248 peak 1958 weight 1.00000E+00 volume 7.38012E+05 ppm1 0.730 ppm2 1.813
ASSI { 1962} (resid 9 and name HA) (resid 13 and name HG2#) 3.307 0.912 2.492 peak 1962 weight 1.00000E+00 volume 1.34958E+05 ppm1 0.728 ppm2 4.331
!OR    {  1962}  (resid  60  and  name  HA2)   (resid  13  and  name  HG2#)
ASSI { 1982} (resid 10 and name HA) (resid 10 and name HB2) 2.692 0.728 1.808 peak 1982 weight 1.00000E+00 volume 4.64329E+05 ppm1 2.776 ppm2 4.685
ASSI { 1980} (resid 10 and name HA) (resid 10 and name HB1) 2.516 0.675 1.755 peak 1980 weight 1.00000E+00 volume 6.05878E+05 ppm1 4.704 ppm2 2.836
ASSI { 1979} (resid 11 and name HB1) (resid 11 and name HA) 2.269 0.469 1.681 peak 1979 weight 1.00000E+00 volume 1.35475E+05 ppm1 4.624 ppm2 2.988
ASSI { 580} (resid 12 and name HB2) (resid 12 and name HB1) 1.800 0.00 2.516 peak 580 weight 1.00000E+00 volume 2.17075E+07 ppm1 4.145 ppm2 4.215
ASSI { 1975} (resid 12 and name HB1) (resid 12 and name HA) 2.554 0.686 1.766 peak 1975 weight 1.00000E+00 volume 3.34285E+05 ppm1 4.413 ppm2 4.254
ASSI { 579} (resid 12 and name HB2) (resid 12 and name HA) 1.920 0.12 1.576 peak 579 weight 1.00000E+00 volume 1.02811E+06 ppm1 4.145 ppm2 4.450
ASSI { 1967} (resid 13 and name HD1#) (resid 9 and name HG2) 2.862 0.779 3.359 peak 1967 weight 1.00000E+00 volume 3.21340E+05 ppm1 0.666 ppm2 1.788
ASSI { 1972} (resid 13 and name HD1#) (resid 10 and name HA) 3.414 0.944 2.524 peak 1972 weight 1.00000E+00 volume 1.11496E+05 ppm1 0.667 ppm2 4.790
ASSI { 583} (resid 13 and name HG12) (resid 12 and name HB2) 3.333 0.92 3 peak 583 weight 1.00000E+00 volume 7.64775E+03 ppm1 4.137 ppm2 1.214
ASSI { 1944} (resid 13 and name HB) (resid 13 and name HA) 2.972 0.812 0.892 peak 1944 weight 1.00000E+00 volume 1.35356E+04 ppm1 2.001 ppm2 3.777
ASSI { 1949} (resid 13 and name HG11) (resid 13 and name HA) 3.103 0.851 1.931 peak 1949 weight 1.00000E+00 volume 1.97922E+05 ppm1 3.764 ppm2 1.572
ASSI { 1950} (resid 13 and name HB) (resid 13 and name HG12) 2.792 0.758 1.838 peak 1950 weight 1.00000E+00 volume 1.93122E+04 ppm1 2.005 ppm2 1.211
ASSI { 1954} (resid 13 and name HG12) (resid 13 and name HA) 2.706 0.732 1.812 peak 1954 weight 1.00000E+00 volume 3.59624E+04 ppm1 3.766 ppm2 1.223
ASSI { 1955} (resid 13 and name HB) (resid 13 and name HG11) 2.672 0.722 1.802 peak 1955 weight 1.00000E+00 volume 2.24797E+04 ppm1 2.004 ppm2 1.586
ASSI { 1956} (resid 13 and name HG12) (resid 13 and name HG2#) 2.437 0.637 3.231 peak 1956 weight 1.00000E+00 volume 1.36081E+05 ppm1 0.728 ppm2 1.268
ASSI { 1957} (resid 13 and name HG11) (resid 13 and name HG2#) 2.575 0.693 3.273 peak 1957 weight 1.00000E+00 volume 6.05805E+05 ppm1 0.728 ppm2 1.560
ASSI { 1951} (resid 13 and name HB) (resid 13 and name HG2#) 2.194 0.394 2.158 peak 1951 weight 1.00000E+00 volume 8.22025E+04 ppm1 2.007 ppm2 0.713
ASSI { 1952} (resid 13 and name HA) (resid 13 and name HG2#) 2.474 0.662 2.242 peak 1952 weight 1.00000E+00 volume 5.46478E+04 ppm1 3.764 ppm2 0.741
ASSI { 1964} (resid 13 and name HD1#) (resid 13 and name HA) 2.628 0.708 2.288 peak 1964 weight 1.00000E+00 volume 5.92035E+04 ppm1 0.668 ppm2 3.805
ASSI { 1968} (resid 13 and name HD1#) (resid 13 and name HG11) 2.434 0.634 3.23 peak 1968 weight 1.00000E+00 volume 8.49413E+05 ppm1 0.670 ppm2 1.562
ASSI { 1969} (resid 13 and name HD1#) (resid 13 and name HG12) 2.568 0.69 3.27 peak 1969 weight 1.00000E+00 volume 6.15780E+05 ppm1 0.670 ppm2 1.249
ASSI { 1966} (resid 13 and name HD1#) (resid 16 and name HB) 2.575 0.692 2.272 peak 1966 weight 1.00000E+00 volume 6.06631E+05 ppm1 0.668 ppm2 2.282
ASSI { 1971} (resid 13 and name HD1#) (resid 30 and name HA) 3.122 0.857 2.437 peak 1971 weight 1.00000E+00 volume 1.90742E+05 ppm1 0.667 ppm2 4.471
ASSI { 1970} (resid 13 and name HD1#) (resid 60 and name HA2) 3.061 0.838 2.418 peak 1970 weight 1.00000E+00 volume 2.09963E+04 ppm1 0.667 ppm2 4.335
OR    {  1970}  (resid  13  and  name  HD1#)  (resid  9   and  name  HA)
ASSI { 235} (resid 14 and name HB2) (resid 14 and name HA) 2.011 0.211 1.603 peak 235 weight 1.00000E+00 volume 2.23107E+05 ppm1 4.589 ppm2 2.965
ASSI { 236} (resid 14 and name HB1) (resid 14 and name HA) 2.024 0.224 1.607 peak 236 weight 1.00000E+00 volume 2.57310E+06 ppm1 4.591 ppm2 3.028
ASSI { 570} (resid 15 and name HB1) (resid 15 and name HA) 1.920 0.12 1.576 peak 570 weight 1.00000E+00 volume 3.52145E+06 ppm1 4.418 ppm2 4.158
ASSI { 1943} (resid 15 and name HB2) (resid 15 and name HA) 3.740 1.042 2.122 peak 1943 weight 1.00000E+00 volume -6.45974E+04 ppm1 4.419 ppm2 4.259
ASSI { 584} (resid 16 and name HG2#) (resid 12 and name HB2) 3.108 0.852 2.932 peak 584 weight 1.00000E+00 volume 6.73603E+03 ppm1 4.139 ppm2 0.865
ASSI { 750} (resid 16 and name HG2#) (resid 13 and name HB) 2.828 0.768 1.848 peak 750 weight 1.00000E+00 volume 3.45557E+05 ppm1 0.869 ppm2 2.000
!OR    {  750}   (resid  16  and  name  HG2#)  (resid  90  and  name  HB2)
ASSI { 1947} (resid 16 and name HB) (resid 13 and name HA) 2.840 0.772 0.852 peak 1947 weight 1.00000E+00 volume 3.61827E+04 ppm1 3.764 ppm2 2.283
ASSI { 1953} (resid 16 and name HG2#) (resid 13 and name HA) 2.794 0.758 1.838 peak 1953 weight 1.00000E+00 volume 2.43429E+04 ppm1 3.768 ppm2 0.862
ASSI { 1960} (resid 16 and name HB) (resid 13 and name HG2#) 3.366 0.93 2.01 peak 1960 weight 1.00000E+00 volume 1.21427E+05 ppm1 0.728 ppm2 2.245
ASSI { 735} (resid 16 and name HG1#) (resid 16 and name HB) 2.461 0.658 1.738 peak 735 weight 1.00000E+00 volume 5.58809E+04 ppm1 2.273 ppm2 1.186
ASSI { 734} (resid 16 and name HG2#) (resid 16 and name HB) 2.398 0.598 1.219 peak 734 weight 1.00000E+00 volume 8.03042E+04 ppm1 2.271 ppm2 0.872
ASSI { 1071} (resid 16 and name HA) (resid 16 and name HB) 2.444 0.644 0.733 peak 1071 weight 1.00000E+00 volume 5.28361E+04 ppm1 2.276 ppm2 3.796
ASSI { 740} (resid 16 and name HG1#) (resid 16 and name HA) 2.542 0.683 1.763 peak 740 weight 1.00000E+00 volume 1.07470E+04 ppm1 1.220 ppm2 3.814
ASSI { 748} (resid 16 and name HG2#) (resid 16 and name HA) 2.524 0.677 1.257 peak 748 weight 1.00000E+00 volume 3.78159E+04 ppm1 0.870 ppm2 3.827
ASSI { 751} (resid 16 and name HG2#) (resid 20 and name HG) 2.718 0.735 1.815 peak 751 weight 1.00000E+00 volume 1.09189E+05 ppm1 0.871 ppm2 1.392
ASSI { 230} (resid 17 and name HA) (resid 17 and name HB2) 2.273 0.473 1.682 peak 230 weight 1.00000E+00 volume 1.05595E+05 ppm1 4.484 ppm2 2.845
ASSI { 232} (resid 17 and name HA) (resid 17 and name HB1) 2.591 0.697 1.777 peak 232 weight 1.00000E+00 volume 5.47846E+04 ppm1 4.488 ppm2 3.014
ASSI { 277} (resid 18 and name HB1) (resid 15 and name HA) 2.845 0.774 1.854 peak 277 weight 1.00000E+00 volume 2.43979E+04 ppm1 2.811 ppm2 4.441
ASSI { 278} (resid 18 and name HB2) (resid 15 and name HA) 2.399 0.599 1.72 peak 278 weight 1.00000E+00 volume 1.47642E+05 ppm1 2.860 ppm2 4.443
ASSI { 273} (resid 18 and name HA) (resid 18 and name HB2) 1.986 0.186 1.596 peak 273 weight 1.00000E+00 volume 2.87530E+06 ppm1 4.571 ppm2 2.856
ASSI { 274} (resid 18 and name HA) (resid 18 and name HB1) 2.095 0.295 1.628 peak 274 weight 1.00000E+00 volume 2.09242E+06 ppm1 4.572 ppm2 2.815
ASSI { 279} (resid 18 and name HB2) (resid 18 and name HB1) 1.800 0.00 2.516 peak 279 weight 1.00000E+00 volume 3.02253E+07 ppm1 2.811 ppm2 2.861
ASSI { 272} (resid 18 and name HA) (resid 21 and name HB1) 2.739 0.742 1.822 peak 272 weight 1.00000E+00 volume 4.18714E+05 ppm1 4.569 ppm2 3.198
ASSI { 573} (resid 19 and name HB2) (resid 15 and name HA) 3.598 0.999 2.079 peak 573 weight 1.00000E+00 volume 8.15047E+04 ppm1 4.418 ppm2 2.163
ASSI { 1534} (resid 19 and name HG2) (resid 16 and name HA) 3.574 0.992 2.072 peak 1534 weight 1.00000E+00 volume 8.47178E+04 ppm1 1.711 ppm2 3.826
ASSI { 1542} (resid 19 and name HD2) (resid 16 and name HA) 3.363 0.929 2.009 peak 1542 weight 1.00000E+00 volume 1.22203E+05 ppm1 1.950 ppm2 3.822
ASSI { 1543} (resid 19 and name HD1) (resid 16 and name HA) 3.214 0.884 1.964 peak 1543 weight 1.00000E+00 volume 1.60242E+05 ppm1 1.854 ppm2 3.826
ASSI { 1529} (resid 19 and name HB2) (resid 16 and name HA) 2.462 0.658 1.738 peak 1529 weight 1.00000E+00 volume 2.83686E+04 ppm1 2.173 ppm2 3.822
ASSI { 1533} (resid 19 and name HG1) (resid 16 and name HA) 2.775 0.753 1.833 peak 1533 weight 1.00000E+00 volume 1.16371E+05 ppm1 1.855 ppm2 3.837
ASSI { 1255} (resid 19 and name HD2) (resid 19 and name HE2) 2.473 0.662 2.742 peak 1255 weight 1.00000E+00 volume 9.13685E+04 ppm1 1.950 ppm2 3.147
ASSI { 1527} (resid 19 and name HA) (resid 19 and name HB2) 2.068 0.268 1.62 peak 1527 weight 1.00000E+00 volume 2.38111E+05 ppm1 4.231 ppm2 2.178
ASSI { 1530} (resid 19 and name HA) (resid 19 and name HE2) 3.328 0.918 1.998 peak 1530 weight 1.00000E+00 volume 1.78272E+04 ppm1 4.230 ppm2 3.154
ASSI { 1526} (resid 19 and name HG1) (resid 19 and name HA) 2.478 0.663 1.743 peak 1526 weight 1.00000E+00 volume 7.66987E+04 ppm1 4.233 ppm2 1.870
ASSI { 1525} (resid 19 and name HG2) (resid 19 and name HA) 2.348 0.548 1.704 peak 1525 weight 1.00000E+00 volume 1.08357E+05 ppm1 4.231 ppm2 1.736
ASSI { 1535} (resid 19 and name HG1) (resid 19 and name HE2) 2.977 0.813 2.893 peak 1535 weight 1.00000E+00 volume 2.53688E+05 ppm1 1.856 ppm2 3.148
ASSI { 1536} (resid 19 and name HG2) (resid 19 and name HE2) 2.966 0.81 2.89 peak 1536 weight 1.00000E+00 volume 2.59526E+05 ppm1 1.710 ppm2 3.148
ASSI { 1538} (resid 19 and name HG2) (resid 19 and name HB2) 2.704 0.731 2.811 peak 1538 weight 1.00000E+00 volume 4.51933E+05 ppm1 1.709 ppm2 2.164
ASSI { 1539} (resid 19 and name HG1) (resid 19 and name HB2) 2.704 0.731 2.811 peak 1539 weight 1.00000E+00 volume 4.51592E+05 ppm1 1.854 ppm2 2.162
ASSI { 1540} (resid 19 and name HG2) (resid 19 and name HG1) 1.800 0.00 2.533 peak 1540 weight 1.00000E+00 volume 2.46168E+06 ppm1 1.853 ppm2 1.717
ASSI { 753} (resid 20 and name HD1#) (resid 16 and name HG2#) 3.481 0.964 4.444 peak 753 weight 1.00000E+00 volume 9.92875E+04 ppm1 0.867 ppm2 0.015
ASSI { 1933} (resid 20 and name HD1#) (resid 16 and name HG1#) 2.202 0.402 4.061 peak 1933 weight 1.00000E+00 volume 1.77754E+05 ppm1 -0.005 ppm2 1.112
ASSI { 902} (resid 20 and name HB1) (resid 17 and name HA) 3.429 0.949 2.029 peak 902 weight 1.00000E+00 volume 1.08610E+05 ppm1 1.621 ppm2 4.513
ASSI { 903} (resid 20 and name HB2) (resid 17 and name HA) 3.157 0.867 1.947 peak 903 weight 1.00000E+00 volume 1.78537E+05 ppm1 1.716 ppm2 4.509
ASSI { 913} (resid 20 and name HG) (resid 17 and name HA) 3.227 0.888 0.968 peak 913 weight 1.00000E+00 volume 1.60083E+04 ppm1 1.368 ppm2 4.525
ASSI { 921} (resid 20 and name HD1#) (resid 19 and name HB2) 2.743 0.743 4.223 peak 921 weight 1.00000E+00 volume 4.65216E+04 ppm1 -0.004 ppm2 2.177
ASSI { 888} (resid 20 and name HB2) (resid 20 and name HA) 2.305 0.505 1.692 peak 888 weight 1.00000E+00 volume 3.46643E+05 ppm1 1.715 ppm2 4.226
ASSI { 889} (resid 20 and name HB1) (resid 20 and name HA) 2.304 0.504 1.691 peak 889 weight 1.00000E+00 volume 3.34292E+04 ppm1 1.623 ppm2 4.238
ASSI { 893} (resid 20 and name HA) (resid 20 and name HG) 2.177 0.377 1.653 peak 893 weight 1.00000E+00 volume 1.38761E+05 ppm1 4.214 ppm2 1.402
ASSI { 894} (resid 20 and name HB2) (resid 20 and name HG) 2.408 0.608 1.722 peak 894 weight 1.00000E+00 volume 3.48696E+04 ppm1 1.717 ppm2 1.392
ASSI { 899} (resid 20 and name HD1#) (resid 20 and name HB1) 2.322 0.522 4.997 peak 899 weight 1.00000E+00 volume 1.88134E+04 ppm1 1.619 ppm2 0.027
ASSI { 900} (resid 20 and name HD1#) (resid 20 and name HB2) 2.167 0.367 4.95 peak 900 weight 1.00000E+00 volume 2.33116E+04 ppm1 1.719 ppm2 0.027
ASSI { 901} (resid 20 and name HD1#) (resid 20 and name HA) 2.054 0.254 3.916 peak 901 weight 1.00000E+00 volume 1.77283E+06 ppm1 4.217 ppm2 0.011
ASSI { 917} (resid 20 and name HD1#) (resid 20 and name HG) 2.068 0.268 3.92 peak 917 weight 1.00000E+00 volume 2.25697E+06 ppm1 -0.003 ppm2 1.399
ASSI { 227} (resid 20 and name HB2) (resid 21 and name HA) 2.738 0.741 1.821 peak 227 weight 1.00000E+00 volume 3.38138E+04 ppm1 4.856 ppm2 1.748
ASSI { 228} (resid 20 and name HB1) (resid 21 and name HA) 2.746 0.744 1.824 peak 228 weight 1.00000E+00 volume 4.12400E+05 ppm1 4.855 ppm2 1.570
ASSI { 923} (resid 20 and name HD1#) (resid 22 and name HE1) 3.291 0.907 4.387 peak 923 weight 1.00000E+00 volume 1.38951E+05 ppm1 -0.004 ppm2 3.128
ASSI { 928} (resid 20 and name HD1#) (resid 54 and name HE3) 2.712 0.734 3.214 peak 928 weight 1.00000E+00 volume 4.63721E+04 ppm1 -0.003 ppm2 7.369
ASSI { 926} (resid 20 and name HD1#) (resid 66 and name HE#) 2.578 0.693 5.573 peak 926 weight 1.00000E+00 volume 6.02089E+05 ppm1 -0.004 ppm2 6.696
OR    {  926}   (resid  20  and  name  HD1#)  (resid  54  and  name  HD1)
OR    {  926}   (resid  20  and  name  HD1#)  (resid  93  and  name  HE22)
ASSI { 927} (resid 20 and name HD1#) (resid 66 and name HD#) 3.033 0.83 5.71 peak 927 weight 1.00000E+00 volume 3.46257E+04 ppm1 -0.004 ppm2 6.976
OR    {  927}   (resid  20  and  name  HD1#)  (resid  54  and  name  HH2)
ASSI { 1044} (resid 20 and name HD1#) (resid 91 and name HG2#) 3.664 1.019 4.999 peak 1044 weight 1.00000E+00 volume 1.50450E+04 ppm1 1.096 ppm2 -0.003
ASSI { 915} (resid 20 and name HD1#) (resid 94 and name HG2#) 2.112 0.312 4.534 peak 915 weight 1.00000E+00 volume 1.99107E+06 ppm1 -0.004 ppm2 0.977
OR    {  915}   (resid  72  and  name  HG2#)  (resid  20  and  name  HD1#)
OR    {  915}   (resid  20  and  name  HD1#)  (resid  93  and  name  HG2)
OR    {  915}   (resid  20  and  name  HD1#)  (resid  93  and  name  HB1)
ASSI { 217} (resid 21 and name HB2) (resid 21 and name HB1) 1.870 0.07 2.561 peak 217 weight 1.00000E+00 volume 4.12646E+06 ppm1 3.173 ppm2 2.901
ASSI { 220} (resid 21 and name HB1) (resid 21 and name HA) 2.414 0.614 1.724 peak 220 weight 1.00000E+00 volume 6.00010E+05 ppm1 3.175 ppm2 4.865
ASSI { 221} (resid 21 and name HB2) (resid 21 and name HA) 2.175 0.375 1.653 peak 221 weight 1.00000E+00 volume 7.20483E+05 ppm1 2.902 ppm2 4.865
ASSI { 219} (resid 21 and name HB1) (resid 22 and name HA) 3.033 0.83 1.91 peak 219 weight 1.00000E+00 volume 1.38456E+04 ppm1 3.177 ppm2 4.568
OR    {  219}   (resid  18  and  name  HA)    (resid  21  and  name  HB1)
ASSI { 222} (resid 21 and name HB2) (resid 22 and name HA) 2.905 0.791 1.871 peak 222 weight 1.00000E+00 volume 2.94247E+05 ppm1 2.900 ppm2 4.568
OR    {  222}   (resid  18  and  name  HA)    (resid  21  and  name  HB2)
ASSI { 1524} (resid 22 and name HG2) (resid 19 and name HA) 3.346 0.924 2.004 peak 1524 weight 1.00000E+00 volume 1.74477E+04 ppm1 4.230 ppm2 1.446
OR    {  1524}  (resid  22  and  name  HG1)   (resid  19  and  name  HA)
OR    {  1524}  (resid  93  and  name  HB2)   (resid  19  and  name  HA)
OR    {  1524}  (resid  52  and  name  HB2)   (resid  19  and  name  HA)
ASSI { 1930} (resid 22 and name HE1) (resid 20 and name HA) 3.356 0.927 2.007 peak 1930 weight 1.00000E+00 volume 7.70450E+03 ppm1 4.207 ppm2 3.118
ASSI { 1494} (resid 22 and name HG1) (resid 22 and name HA) 2.195 0.395 1.659 peak 1494 weight 1.00000E+00 volume 1.57907E+06 ppm1 4.512 ppm2 1.431
OR    {  1494}  (resid  22  and  name  HG2)   (resid  22  and  name  HA)
ASSI { 1495} (resid 22 and name HG2) (resid 22 and name HB1) 2.393 0.593 2.718 peak 1495 weight 1.00000E+00 volume 9.40084E+05 ppm1 2.109 ppm2 1.439
ASSI { 1496} (resid 22 and name HB2) (resid 22 and name HB1) 1.857 0.057 2.557 peak 1496 weight 1.00000E+00 volume 4.30835E+06 ppm1 2.110 ppm2 1.826
ASSI { 1498} (resid 22 and name HG2) (resid 22 and name HB2) 2.360 0.56 2.708 peak 1498 weight 1.00000E+00 volume 1.01840E+05 ppm1 1.819 ppm2 1.450
ASSI { 1500} (resid 22 and name HA) (resid 22 and name HB1) 2.264 0.464 1.679 peak 1500 weight 1.00000E+00 volume 1.14459E+05 ppm1 4.512 ppm2 2.129
ASSI { 1499} (resid 22 and name HA) (resid 22 and name HB2) 2.355 0.555 1.707 peak 1499 weight 1.00000E+00 volume 8.15184E+04 ppm1 4.513 ppm2 1.820
ASSI { 1503} (resid 22 and name HD2) (resid 22 and name HG2) 2.195 0.395 2.659 peak 1503 weight 1.00000E+00 volume 1.57919E+06 ppm1 1.429 ppm2 1.783
ASSI { 1504} (resid 22 and name HD2) (resid 22 and name HG1) 2.233 0.433 2.67 peak 1504 weight 1.00000E+00 volume 1.42534E+06 ppm1 1.400 ppm2 1.778
ASSI { 1506} (resid 22 and name HG1) (resid 22 and name HB1) 2.671 0.721 2.801 peak 1506 weight 1.00000E+00 volume 3.53503E+04 ppm1 1.401 ppm2 2.132
ASSI { 1507} (resid 22 and name HG1) (resid 22 and name HE2) 2.779 0.754 2.834 peak 1507 weight 1.00000E+00 volume 2.80741E+04 ppm1 1.401 ppm2 3.111
ASSI { 1508} (resid 22 and name HG2) (resid 22 and name HE1) 2.562 0.688 2.768 peak 1508 weight 1.00000E+00 volume 2.54717E+04 ppm1 1.430 ppm2 3.114
ASSI { 1509} (resid 22 and name HG1) (resid 22 and name HA) 2.692 0.728 1.808 peak 1509 weight 1.00000E+00 volume 3.29290E+04 ppm1 1.402 ppm2 4.514
ASSI { 1510} (resid 22 and name HG2) (resid 22 and name HA) 2.657 0.717 1.797 peak 1510 weight 1.00000E+00 volume 3.58144E+04 ppm1 1.431 ppm2 4.517
ASSI { 1512} (resid 22 and name HD2) (resid 22 and name HB1) 2.809 0.763 2.843 peak 1512 weight 1.00000E+00 volume 2.78408E+04 ppm1 1.751 ppm2 2.148
ASSI { 1517} (resid 22 and name HG2) (resid 22 and name HE2) 2.605 0.702 2.782 peak 1517 weight 1.00000E+00 volume 5.64839E+05 ppm1 3.081 ppm2 1.449
ASSI { 1518} (resid 22 and name HD2) (resid 22 and name HE1) 2.286 0.486 2.686 peak 1518 weight 1.00000E+00 volume 1.23650E+06 ppm1 3.128 ppm2 1.747
ASSI { 1513} (resid 22 and name HD2) (resid 22 and name HE2) 2.370 0.57 2.711 peak 1513 weight 1.00000E+00 volume 7.62416E+05 ppm1 1.745 ppm2 3.127
ASSI { 1880} (resid 22 and name HD2) (resid 47 and name HB) 2.710 0.733 1.813 peak 1880 weight 1.00000E+00 volume 4.46100E+05 ppm1 2.127 ppm2 1.735
OR    {  1880}  (resid  24  and  name  HB1)   (resid  47  and  name  HB)
OR    {  1880}  (resid  69  and  name  HG2)   (resid  47  and  name  HB)
ASSI { 1522} (resid 22 and name HE1) (resid 48 and name HB2) 2.964 0.809 2.889 peak 1522 weight 1.00000E+00 volume 2.60337E+05 ppm1 3.131 ppm2 4.231
ASSI { 1523} (resid 22 and name HE2) (resid 48 and name HB2) 3.132 0.86 2.94 peak 1523 weight 1.00000E+00 volume 1.87289E+05 ppm1 3.080 ppm2 4.242
ASSI { 87} (resid 23 and name HA2) (resid 23 and name HA1) 1.957 0.157 0.587 peak 87 weight 1.00000E+00 volume 3.12814E+05 ppm1 4.002 ppm2 4.160
ASSI { 1474} (resid 24 and name HB1) (resid 24 and name HA) 2.630 0.709 1.789 peak 1474 weight 1.00000E+00 volume 5.34198E+05 ppm1 1.745 ppm2 4.323
ASSI { 1479} (resid 24 and name HB1) (resid 24 and name HG1) 2.583 0.695 2.775 peak 1479 weight 1.00000E+00 volume 5.94548E+05 ppm1 1.742 ppm2 1.223
ASSI { 1481} (resid 24 and name HA) (resid 24 and name HG2) 2.784 0.755 1.835 peak 1481 weight 1.00000E+00 volume 2.12228E+04 ppm1 1.127 ppm2 4.298
ASSI { 1482} (resid 24 and name HA) (resid 24 and name HG1) 2.858 0.777 1.857 peak 1482 weight 1.00000E+00 volume 1.88927E+04 ppm1 1.228 ppm2 4.288
ASSI { 1483} (resid 24 and name HG2) (resid 24 and name HE2) 3.071 0.841 2.921 peak 1483 weight 1.00000E+00 volume 2.10618E+05 ppm1 1.124 ppm2 2.601
ASSI { 1485} (resid 24 and name HD1) (resid 24 and name HA) 2.723 0.737 1.817 peak 1485 weight 1.00000E+00 volume 4.32975E+05 ppm1 1.352 ppm2 4.295
ASSI { 1478} (resid 24 and name HB1) (resid 24 and name HD1) 2.686 0.726 2.806 peak 1478 weight 1.00000E+00 volume 4.69997E+05 ppm1 1.746 ppm2 1.327
ASSI { 1484} (resid 24 and name HG1) (resid 24 and name HE2) 2.453 0.653 2.736 peak 1484 weight 1.00000E+00 volume 2.81888E+05 ppm1 1.226 ppm2 2.587
ASSI { 1486} (resid 24 and name HD1) (resid 24 and name HE2) 2.095 0.295 2.628 peak 1486 weight 1.00000E+00 volume 8.53241E+05 ppm1 1.352 ppm2 2.616
ASSI { 1491} (resid 24 and name HB1) (resid 24 and name HE2) 3.099 0.85 2.93 peak 1491 weight 1.00000E+00 volume 4.74309E+04 ppm1 2.583 ppm2 1.751
ASSI { 49} (resid 24 and name HB1) (resid 46 and name HA1) 3.627 1.008 2.088 peak 49 weight 1.00000E+00 volume 8.24471E+03 ppm1 4.948 ppm2 1.744
ASSI { 83} (resid 25 and name HA1) (resid 24 and name HG2) 2.619 0.706 1.786 peak 83 weight 1.00000E+00 volume 5.46881E+05 ppm1 4.353 ppm2 1.142
OR    {  83}    (resid  25  and  name  HA1)   (resid  26  and  name  HG2)
ASSI { 63} (resid 25 and name HA2) (resid 25 and name HA1) 1.833 0.033 0.550 peak 63 weight 1.00000E+00 volume 4.65481E+06 ppm1 3.381 ppm2 4.396
ASSI { 73} (resid 25 and name HA2) (resid 26 and name HE2) 2.744 0.743 1.823 peak 73 weight 1.00000E+00 volume 4.14123E+05 ppm1 3.379 ppm2 2.838
ASSI { 76} (resid 25 and name HA1) (resid 26 and name HE2) 2.760 0.748 1.828 peak 76 weight 1.00000E+00 volume 3.99094E+04 ppm1 4.356 ppm2 2.838
!ASSI { 79} (resid 25 and name HA2) (resid 26 and name HB2) 3.438 1.031 2.031 peak 79 weight 1.00000E+00 volume 1.06953E+05 ppm1 3.376 ppm2 1.740
ASSI { 80} (resid 25 and name HA2) (resid 26 and name HB1) 3.383 0.935 2.015 peak 80 weight 1.00000E+00 volume 1.17881E+05 ppm1 3.383 ppm2 1.612
ASSI { 84} (resid 25 and name HA2) (resid 26 and name HG2) 2.478 0.663 1.743 peak 84 weight 1.00000E+00 volume 5.40751E+04 ppm1 3.378 ppm2 1.129
OR    {  84}    (resid  25  and  name  HA2)   (resid  24  and  name  HG2)
ASSI { 229} (resid 26 and name HG2) (resid 21 and name HA) 2.800 0.76 1.84 peak 229 weight 1.00000E+00 volume 2.79649E+04 ppm1 4.853 ppm2 1.150
ASSI { 1441} (resid 26 and name HB1) (resid 26 and name HB2) 1.800 0.00 2.521 peak 1441 weight 1.00000E+00 volume 4.87642E+05 ppm1 1.611 ppm2 1.747
ASSI { 1443} (resid 26 and name HG1) (resid 26 and name HB2) 2.732 0.74 2.82 peak 1443 weight 1.00000E+00 volume 4.25043E+05 ppm1 1.734 ppm2 1.264
ASSI { 1444} (resid 26 and name HG2) (resid 26 and name HB2) 2.376 0.576 2.713 peak 1444 weight 1.00000E+00 volume 5.92098E+05 ppm1 1.733 ppm2 1.166
ASSI { 1445} (resid 26 and name HG1) (resid 26 and name HB1) 2.657 0.717 2.797 peak 1445 weight 1.00000E+00 volume 5.02015E+05 ppm1 1.614 ppm2 1.276
ASSI { 1437} (resid 26 and name HB1) (resid 26 and name HA) 2.291 0.491 1.687 peak 1437 weight 1.00000E+00 volume 1.22035E+06 ppm1 4.855 ppm2 1.630
ASSI { 1438} (resid 26 and name HB2) (resid 26 and name HA) 2.291 0.491 1.687 peak 1438 weight 1.00000E+00 volume 7.80641E+04 ppm1 4.854 ppm2 1.749
ASSI { 1451} (resid 26 and name HG2) (resid 26 and name HG1) 1.800 0.00 2.516 peak 1451 weight 1.00000E+00 volume 6.04837E+05 ppm1 1.129 ppm2 1.268
ASSI { 1446} (resid 26 and name HG2) (resid 26 and name HB1) 2.265 0.465 2.68 peak 1446 weight 1.00000E+00 volume 5.82837E+05 ppm1 1.612 ppm2 1.164
ASSI { 1459} (resid 26 and name HG2) (resid 26 and name HE2) 2.448 0.648 2.734 peak 1459 weight 1.00000E+00 volume 5.06050E+05 ppm1 1.130 ppm2 2.888
ASSI { 1460} (resid 26 and name HG1) (resid 26 and name HE2) 2.412 0.612 2.723 peak 1460 weight 1.00000E+00 volume 5.20801E+05 ppm1 1.235 ppm2 2.877
ASSI { 1463} (resid 26 and name HG1) (resid 26 and name HA) 2.561 0.688 1.768 peak 1463 weight 1.00000E+00 volume 6.25834E+05 ppm1 1.247 ppm2 4.867
ASSI { 1464} (resid 26 and name HG2) (resid 26 and name HA) 2.752 0.746 1.826 peak 1464 weight 1.00000E+00 volume 3.27276E+04 ppm1 1.129 ppm2 4.865
ASSI { 1468} (resid 26 and name HG1) (resid 26 and name HD2) 2.249 0.449 2.675 peak 1468 weight 1.00000E+00 volume 1.36429E+06 ppm1 1.526 ppm2 1.276
ASSI { 1469} (resid 26 and name HG2) (resid 26 and name HD2) 2.438 0.638 2.731 peak 1469 weight 1.00000E+00 volume 8.41247E+05 ppm1 1.524 ppm2 1.166
ASSI { 1467} (resid 26 and name HE2) (resid 26 and name HD2) 2.088 0.288 2.626 peak 1467 weight 1.00000E+00 volume 1.31107E+06 ppm1 1.520 ppm2 2.915
ASSI { 2019} (resid 26 and name HE2) (resid 26 and name HA) 3.154 0.866 1.946 peak 2019 weight 1.00000E+00 volume 1.22063E+04 ppm1 2.879 ppm2 4.872
ASSI { 490} (resid 26 and name HG1) (resid 41 and name HA) 2.689 0.727 1.807 peak 490 weight 1.00000E+00 volume 5.47291E+04 ppm1 4.613 ppm2 1.281
ASSI { 491} (resid 26 and name HG2) (resid 41 and name HA) 3.339 0.922 2.002 peak 491 weight 1.00000E+00 volume 1.75105E+04 ppm1 4.612 ppm2 1.119
ASSI { 499} (resid 26 and name HG1) (resid 41 and name HB2) 2.884 0.785 2.865 peak 499 weight 1.00000E+00 volume 3.74126E+04 ppm1 3.742 ppm2 1.272
ASSI { 500} (resid 26 and name HG2) (resid 41 and name HB2) 2.692 0.728 2.808 peak 500 weight 1.00000E+00 volume 4.63930E+05 ppm1 3.741 ppm2 1.165
ASSI { 501} (resid 26 and name HB1) (resid 41 and name HB2) 2.211 0.411 2.663 peak 501 weight 1.00000E+00 volume 1.51358E+06 ppm1 3.741 ppm2 1.637
ASSI { 897} (resid 27 and name HD1#) (resid 20 and name HB2) 2.550 0.685 5.065 peak 897 weight 1.00000E+00 volume 6.43145E+05 ppm1 1.720 ppm2 0.419
ASSI { 898} (resid 27 and name HD1#) (resid 20 and name HB1) 2.616 0.705 5.085 peak 898 weight 1.00000E+00 volume 5.51612E+05 ppm1 1.625 ppm2 0.406
ASSI { 912} (resid 27 and name HD1#) (resid 20 and name HG) 1.839 0.039 3.852 peak 912 weight 1.00000E+00 volume 5.20035E+05 ppm1 1.367 ppm2 0.418
ASSI { 914} (resid 27 and name HD1#) (resid 20 and name HD1#) 2.088 0.288 3.926 peak 914 weight 1.00000E+00 volume 2.66883E+05 ppm1 0.001 ppm2 0.403
ASSI { 838} (resid 27 and name HB2) (resid 27 and name HB1) 2.038 0.238 2.611 peak 838 weight 1.00000E+00 volume 1.19586E+05 ppm1 0.946 ppm2 1.731
ASSI { 841} (resid 27 and name HG) (resid 27 and name HB2) 2.468 0.66 1.74 peak 841 weight 1.00000E+00 volume 4.98197E+04 ppm1 0.946 ppm2 1.147
ASSI { 842} (resid 27 and name HG) (resid 27 and name HB1) 2.501 0.67 1.75 peak 842 weight 1.00000E+00 volume 7.22308E+05 ppm1 1.703 ppm2 1.154
ASSI { 832} (resid 27 and name HA) (resid 27 and name HB1) 2.527 0.678 1.758 peak 832 weight 1.00000E+00 volume 2.28418E+05 ppm1 1.709 ppm2 4.639
ASSI { 844} (resid 27 and name HG) (resid 27 and name HA) 2.464 0.659 0.739 peak 844 weight 1.00000E+00 volume 8.94365E+04 ppm1 4.642 ppm2 1.153
ASSI { 845} (resid 27 and name HB1) (resid 27 and name HA) 2.283 0.483 1.685 peak 845 weight 1.00000E+00 volume 1.54590E+05 ppm1 4.646 ppm2 0.977
ASSI { 847} (resid 27 and name HD1#) (resid 27 and name HA) 2.949 0.805 4.185 peak 847 weight 1.00000E+00 volume 2.29773E+05 ppm1 4.643 ppm2 0.347
ASSI { 850} (resid 27 and name HD2#) (resid 27 and name HB2) 2.853 0.776 4.256 peak 850 weight 1.00000E+00 volume 2.15491E+04 ppm1 0.946 ppm2 0.616
ASSI { 851} (resid 27 and name HD1#) (resid 27 and name HB2) 2.630 0.709 5.089 peak 851 weight 1.00000E+00 volume 2.77583E+04 ppm1 0.952 ppm2 0.361
ASSI { 855} (resid 27 and name HG) (resid 27 and name HB1) 2.749 0.745 1.825 peak 855 weight 1.00000E+00 volume 8.80388E+04 ppm1 1.134 ppm2 0.975
ASSI { 857} (resid 27 and name HA) (resid 27 and name HB2) 2.748 0.744 1.824 peak 857 weight 1.00000E+00 volume 2.34297E+04 ppm1 0.948 ppm2 4.680
ASSI { 849} (resid 27 and name HD1#) (resid 27 and name HB1) 2.250 0.45 4.975 peak 849 weight 1.00000E+00 volume 6.79493E+05 ppm1 1.703 ppm2 0.361
ASSI { 853} (resid 27 and name HD1#) (resid 27 and name HG) 2.094 0.294 3.928 peak 853 weight 1.00000E+00 volume 8.41345E+04 ppm1 1.127 ppm2 0.351
ASSI { 869} (resid 27 and name HD1#) (resid 27 and name HB1) 2.199 0.399 4.96 peak 869 weight 1.00000E+00 volume 1.56223E+06 ppm1 0.337 ppm2 0.971
ASSI { 871} (resid 27 and name HD1#) (resid 27 and name HD2#) 2.027 0.227 6.308 peak 871 weight 1.00000E+00 volume 2.15130E+05 ppm1 0.334 ppm2 0.625
ASSI { 875} (resid 27 and name HD2#) (resid 27 and name HB1) 2.045 0.245 4.013 peak 875 weight 1.00000E+00 volume 2.69692E+05 ppm1 0.596 ppm2 0.989
ASSI { 854} (resid 27 and name HD2#) (resid 27 and name HG) 1.800 0.00 2.939 peak 854 weight 1.00000E+00 volume 6.80160E+04 ppm1 1.132 ppm2 0.651
ASSI { 878} (resid 27 and name HD2#) (resid 27 and name HB2) 3.223 0.887 4.367 peak 878 weight 1.00000E+00 volume 2.26535E+04 ppm1 0.598 ppm2 1.568
ASSI { 848} (resid 27 and name HD2#) (resid 27 and name HB1) 2.363 0.563 4.109 peak 848 weight 1.00000E+00 volume 2.47012E+05 ppm1 1.705 ppm2 0.616
ASSI { 846} (resid 27 and name HD2#) (resid 27 and name HA) 2.007 0.207 3.002 peak 846 weight 1.00000E+00 volume 1.50769E+06 ppm1 4.643 ppm2 0.622
!changed to 1# from HD2#
ASSI { 794} (resid 27 and name HG) (resid 29 and name HA) 2.973 0.812 0.892 peak 794 weight 1.00000E+00 volume 3.92464E+04 ppm1 5.248 ppm2 1.116
OR    {  794}   (resid  36  and  name  HD1#)  (resid  29  and  name  HA)
ASSI { 866} (resid 27 and name HD1#) (resid 29 and name HG) 3.078 0.843 4.223 peak 866 weight 1.00000E+00 volume 2.07728E+05 ppm1 0.337 ppm2 1.574
ASSI { 823} (resid 27 and name HD1#) (resid 29 and name HD2#) 2.335 0.535 6.401 peak 823 weight 1.00000E+00 volume 4.15174E+04 ppm1 0.728 ppm2 0.399
ASSI { 114} (resid 27 and name HD2#) (resid 38 and name HB#) 1.975 0.175 4.493 peak 114 weight 1.00000E+00 volume 2.69850E+05 ppm1 1.088 ppm2 0.581
ASSI { 115} (resid 27 and name HD1#) (resid 38 and name HB#) 2.199 0.399 4.56 peak 115 weight 1.00000E+00 volume 1.56083E+06 ppm1 1.088 ppm2 0.392
ASSI { 885} (resid 27 and name HD2#) (resid 38 and name HA) 2.822 0.767 3.247 peak 885 weight 1.00000E+00 volume 3.49575E+05 ppm1 0.595 ppm2 5.331
ASSI { 642} (resid 27 and name HD2#) (resid 39 and name HA) 3.589 0.997 3.477 peak 642 weight 1.00000E+00 volume 1.19821E+04 ppm1 4.514 ppm2 0.630
ASSI { 526} (resid 27 and name HD2#) (resid 40 and name HB2) 3.245 0.893 4.373 peak 526 weight 1.00000E+00 volume 1.51414E+05 ppm1 3.661 ppm2 0.612
ASSI { 863} (resid 27 and name HD1#) (resid 40 and name HB1) 3.044 0.833 4.313 peak 863 weight 1.00000E+00 volume 2.02759E+04 ppm1 0.337 ppm2 3.572
ASSI { 527} (resid 27 and name HD2#) (resid 40 and name HB1) 1.915 0.115 3.975 peak 527 weight 1.00000E+00 volume 2.09687E+05 ppm1 3.584 ppm2 0.626
ASSI { 525} (resid 27 and name HD2#) (resid 40 and name HA) 2.766 0.75 3.23 peak 525 weight 1.00000E+00 volume 2.47553E+05 ppm1 5.542 ppm2 0.612
ASSI { 860} (resid 27 and name HD1#) (resid 66 and name HE#) 3.073 0.842 5.722 peak 860 weight 1.00000E+00 volume 2.27865E+04 ppm1 0.333 ppm2 6.691
ASSI { 864} (resid 27 and name HD1#) (resid 72 and name HB) 3.432 0.95 3.43 peak 864 weight 1.00000E+00 volume 1.71495E+04 ppm1 0.335 ppm2 2.038
ASSI { 659} (resid 27 and name HD2#) (resid 72 and name HB) 2.414 0.614 3.124 peak 659 weight 1.00000E+00 volume 4.09598E+04 ppm1 2.025 ppm2 0.619
ASSI { 882} (resid 27 and name HD2#) (resid 72 and name HA) 2.702 0.73 3.21 peak 882 weight 1.00000E+00 volume 4.54529E+05 ppm1 0.593 ppm2 3.913
ASSI { 877} (resid 27 and name HD2#) (resid 75 and name HB) 2.468 0.66 3.14 peak 877 weight 1.00000E+00 volume 7.90567E+04 ppm1 0.597 ppm2 1.433
ASSI { 424} (resid 27 and name HD2#) (resid 76 and name HB1) 2.590 0.697 4.177 peak 424 weight 1.00000E+00 volume 5.97932E+04 ppm1 3.568 ppm2 0.620
ASSI { 425} (resid 27 and name HD2#) (resid 76 and name HB2) 2.734 0.74 4.22 peak 425 weight 1.00000E+00 volume 4.52622E+04 ppm1 3.485 ppm2 0.614
ASSI { 554} (resid 28 and name HA) (resid 28 and name HB2) 2.295 0.495 1.689 peak 554 weight 1.00000E+00 volume 1.20814E+06 ppm1 3.564 ppm2 4.695
ASSI { 558} (resid 28 and name HB2) (resid 28 and name HB1) 1.800 0.00 2.516 peak 558 weight 1.00000E+00 volume 9.72017E+06 ppm1 3.420 ppm2 3.584
ASSI { 553} (resid 28 and name HA) (resid 28 and name HB1) 2.326 0.526 1.698 peak 553 weight 1.00000E+00 volume 1.11673E+06 ppm1 3.421 ppm2 4.701
ASSI { 563} (resid 28 and name HB2) (resid 39 and name HG1) 2.721 0.736 1.816 peak 563 weight 1.00000E+00 volume 5.00837E+04 ppm1 3.560 ppm2 1.162
ASSI { 564} (resid 28 and name HB1) (resid 39 and name HG1) 2.704 0.731 1.811 peak 564 weight 1.00000E+00 volume 5.07913E+04 ppm1 3.419 ppm2 1.162
ASSI { 635} (resid 28 and name HB1) (resid 39 and name HA) 2.973 0.812 1.892 peak 635 weight 1.00000E+00 volume 1.64947E+04 ppm1 4.517 ppm2 3.443
ASSI { 637} (resid 28 and name HB1) (resid 39 and name HB) 3.399 0.94 2.02 peak 637 weight 1.00000E+00 volume 2.49490E+04 ppm1 4.038 ppm2 3.453
OR    {  637}   (resid  76  and  name  HB2)   (resid  39  and  name  HB)
OR    {  827}   (resid  29  and  name  HD2#)  (resid  30  and  name  HA)

ASSI { 795} (resid 29 and name HA) (resid 27 and name HB2) 3.365 0.929 2.009 peak 795 weight 1.00000E+00 volume 1.21747E+05 ppm1 5.251 ppm2 0.924
OR    {  795}   (resid  36  and  name  HD1#)  (resid  29  and  name  HA)
!HD1# changed to 2#
ASSI { 799} (resid 29 and name HB2) (resid 27 and name HB2) 2.758 0.747 1.827 peak 799 weight 1.00000E+00 volume 4.01831E+05 ppm1 1.254 ppm2 0.931
OR    {  799}   (resid  36  and  name  HD2#)  (resid  29  and  name  HB2)
ASSI { 815} (resid 29 and name HD1#) (resid 28 and name HB2) 2.978 0.813 4.293 peak 815 weight 1.00000E+00 volume 3.39761E+04 ppm1 0.686 ppm2 3.564
ASSI { 828} (resid 29 and name HD2#) (resid 28 and name HA) 3.364 0.929 3.409 peak 828 weight 1.00000E+00 volume 1.23525E+04 ppm1 0.730 ppm2 4.711
ASSI { 788} (resid 29 and name HB1) (resid 29 and name HB2) 1.963 0.163 2.589 peak 788 weight 1.00000E+00 volume 2.23775E+06 ppm1 1.256 ppm2 1.815
ASSI { 790} (resid 29 and name HA) (resid 29 and name HB1) 2.578 0.693 1.773 peak 790 weight 1.00000E+00 volume 6.03174E+04 ppm1 5.248 ppm2 1.815
ASSI { 791} (resid 29 and name HA) (resid 29 and name HG) 2.819 0.766 0.846 peak 791 weight 1.00000E+00 volume 3.66811E+04 ppm1 5.251 ppm2 1.559
ASSI { 792} (resid 29 and name HA) (resid 29 and name HB2) 2.410 0.61 1.723 peak 792 weight 1.00000E+00 volume 9.69227E+04 ppm1 5.248 ppm2 1.296
ASSI { 793} (resid 29 and name HD2#) (resid 29 and name HA) 2.252 0.452 3.076 peak 793 weight 1.00000E+00 volume 1.16462E+05 ppm1 5.253 ppm2 0.732
ASSI { 797} (resid 29 and name HD2#) (resid 29 and name HB1) 2.127 0.327 4.038 peak 797 weight 1.00000E+00 volume 1.90643E+06 ppm1 1.784 ppm2 0.745
ASSI { 798} (resid 29 and name HD2#) (resid 29 and name HB2) 2.347 0.547 4.104 peak 798 weight 1.00000E+00 volume 8.31743E+04 ppm1 1.256 ppm2 0.751
ASSI { 803} (resid 29 and name HB1) (resid 29 and name HG) 2.577 0.693 1.773 peak 803 weight 1.00000E+00 volume 4.99030E+04 ppm1 1.789 ppm2 1.561
ASSI { 802} (resid 29 and name HG) (resid 29 and name HB2) 2.766 0.75 1.83 peak 802 weight 1.00000E+00 volume 2.43647E+04 ppm1 1.266 ppm2 1.561
ASSI { 810} (resid 29 and name HD1#) (resid 29 and name HB1) 2.437 0.637 5.031 peak 810 weight 1.00000E+00 volume 8.44071E+05 ppm1 0.685 ppm2 1.808
ASSI { 808} (resid 29 and name HD1#) (resid 29 and name HG) 2.072 0.272 3.921 peak 808 weight 1.00000E+00 volume 1.24442E+05 ppm1 1.531 ppm2 0.735
ASSI { 812} (resid 29 and name HD1#) (resid 29 and name HB2) 2.191 0.391 4.957 peak 812 weight 1.00000E+00 volume 1.28003E+05 ppm1 0.685 ppm2 1.298
ASSI { 818} (resid 29 and name HD1#) (resid 29 and name HA) 1.939 0.139 3.882 peak 818 weight 1.00000E+00 volume 3.06427E+05 ppm1 0.689 ppm2 5.305
ASSI { 819} (resid 29 and name HD2#) (resid 29 and name HG) 2.186 0.386 3.056 peak 819 weight 1.00000E+00 volume 1.40141E+05 ppm1 0.730 ppm2 1.571
ASSI { 541} (resid 29 and name HD1#) (resid 30 and name HB1) 3.599 1 4.48 peak 541 weight 1.00000E+00 volume 8.12834E+04 ppm1 3.706 ppm2 0.693
ASSI { 548} (resid 29 and name HD1#) (resid 30 and name HB2) 3.324 0.917 4.397 peak 548 weight 1.00000E+00 volume 1.16605E+04 ppm1 3.747 ppm2 0.701
ASSI { 826} (resid 29 and name HD2#) (resid 30 and name HB2) 3.285 0.905 4.385 peak 826 weight 1.00000E+00 volume 1.40599E+05 ppm1 0.728 ppm2 3.771
OR    {  826}   (resid  16  and  name  HA)    (resid  29  and  name  HD2#)
ASSI { 105} (resid 29 and name HD1#) (resid 38 and name HA) 2.379 0.579 3.114 peak 105 weight 1.00000E+00 volume 9.73648E+05 ppm1 5.335 ppm2 0.694
OR    {  105}   (resid  29  and  name  HD2#)  (resid  38  and  name  HA)
ASSI { 113} (resid 29 and name HD1#) (resid 38 and name HB#) 2.026 0.226 4.508 peak 113 weight 1.00000E+00 volume 2.94935E+05 ppm1 1.089 ppm2 0.690
ASSI { 543} (resid 30 and name HA) (resid 13 and name HG2#) 2.330 0.53 2.199 peak 543 weight 1.00000E+00 volume 1.18560E+05 ppm1 4.457 ppm2 0.702
OR    {  543}   (resid  13  and  name  HD1#)  (resid  30  and  name  HA)
ASSI { 1963} (resid 30 and name HA) (resid 13 and name HG2#) 2.684 0.725 2.305 peak 1963 weight 1.00000E+00 volume 4.72312E+05 ppm1 0.729 ppm2 4.505
ASSI { 538} (resid 30 and name HA) (resid 29 and name HB1) 3.249 0.895 1.975 peak 538 weight 1.00000E+00 volume 1.50118E+05 ppm1 4.461 ppm2 1.807
ASSI { 1929} (resid 30 and name HA) (resid 29 and name HA) 3.110 0.853 0.933 peak 1929 weight 1.00000E+00 volume 1.81790E+04 ppm1 4.456 ppm2 5.297
ASSI { 528} (resid 30 and name HA) (resid 30 and name HB1) 1.970 0.17 1.591 peak 528 weight 1.00000E+00 volume 9.02340E+05 ppm1 3.702 ppm2 4.484
ASSI { 529} (resid 30 and name HA) (resid 30 and name HB2) 1.975 0.175 1.592 peak 529 weight 1.00000E+00 volume 9.47523E+04 ppm1 3.746 ppm2 4.478
ASSI { 532} (resid 30 and name HB2) (resid 30 and name HB1) 1.800 0.00 2.516 peak 532 weight 1.00000E+00 volume 5.36215E+06 ppm1 3.703 ppm2 3.796
ASSI { 1432} (resid 31 and name HA) (resid 31 and name HB2) 2.580 0.694 1.774 peak 1432 weight 1.00000E+00 volume 5.99216E+05 ppm1 5.313 ppm2 2.035
ASSI { 2152} (resid 31 and name HA) (resid 35 and name HG2) 2.979 0.814 1.894 peak 2152 weight 1.00000E+00 volume 3.12079E+04 ppm1 5.307 ppm2 2.220
ASSI { 204} (resid 32 and name HB2) (resid 32 and name HA) 2.159 0.359 1.648 peak 204 weight 1.00000E+00 volume 1.74244E+06 ppm1 4.868 ppm2 2.520
ASSI { 206} (resid 32 and name HB2) (resid 32 and name HB1) 1.846 0.046 2.554 peak 206 weight 1.00000E+00 volume 4.38002E+05 ppm1 2.513 ppm2 2.792
ASSI { 205} (resid 32 and name HA) (resid 32 and name HB1) 2.316 0.516 1.695 peak 205 weight 1.00000E+00 volume 1.14450E+06 ppm1 4.870 ppm2 2.801
ASSI { 214} (resid 32 and name HB2) (resid 35 and name HB2) 3.792 1.058 2.138 peak 214 weight 1.00000E+00 volume 5.94544E+04 ppm1 2.511 ppm2 1.977
ASSI { 61} (resid 33 and name HA2) (resid 33 and name HA1) 2.032 0.232 0.610 peak 61 weight 1.00000E+00 volume 1.59518E+05 ppm1 4.009 ppm2 3.598
ASSI { 132} (resid 34 and name HD22) (resid 83 and name HA) 3.530 0.979 1.059 peak 132 weight 1.00000E+00 volume 8.26978E+03 ppm1 4.404 ppm2 7.094
ASSI { 212} (resid 35 and name HB2) (resid 32 and name HB1) 3.254 0.896 2.976 peak 212 weight 1.00000E+00 volume 1.43679E+04 ppm1 2.783 ppm2 1.954
ASSI { 402} (resid 35 and name HB1) (resid 35 and name HA) 2.755 0.746 1.826 peak 402 weight 1.00000E+00 volume 4.04404E+05 ppm1 2.108 ppm2 4.697
ASSI { 403} (resid 35 and name HB2) (resid 35 and name HA) 2.410 0.61 1.723 peak 403 weight 1.00000E+00 volume 5.35628E+05 ppm1 2.006 ppm2 4.707
ASSI { 405} (resid 35 and name HG2) (resid 35 and name HA) 2.734 0.74 1.82 peak 405 weight 1.00000E+00 volume 3.45188E+05 ppm1 4.685 ppm2 2.296
ASSI { 406} (resid 35 and name HG1) (resid 35 and name HA) 2.206 0.406 1.662 peak 406 weight 1.00000E+00 volume 1.03994E+05 ppm1 4.683 ppm2 2.137
OR    {  406}   (resid  35  and  name  HB1)   (resid  35  and  name  HA)
ASSI { 408} (resid 35 and name HB2) (resid 35 and name HB1) 1.800 0.00 2.516 peak 408 weight 1.00000E+00 volume 1.99647E+05 ppm1 2.107 ppm2 1.986
ASSI { 411} (resid 35 and name HG1) (resid 35 and name HA) 2.781 0.754 1.834 peak 411 weight 1.00000E+00 volume 4.32619E+04 ppm1 2.126 ppm2 4.701
ASSI { 412} (resid 35 and name HG2) (resid 35 and name HG1) 1.800 0.00 2.516 peak 412 weight 1.00000E+00 volume 6.64956E+06 ppm1 2.128 ppm2 2.303
ASSI { 2108} (resid 35 and name HG2) (resid 35 and name HB2) 2.338 0.538 2.701 peak 2108 weight 1.00000E+00 volume 5.57571E+04 ppm1 2.010 ppm2 2.297
ASSI { 2109} (resid 35 and name HG2) (resid 35 and name HB1) 2.303 0.503 2.691 peak 2109 weight 1.00000E+00 volume 1.18282E+06 ppm1 2.099 ppm2 2.297
ASSI { 796} (resid 36 and name HD1#) (resid 29 and name HB1) 2.655 0.717 5.097 peak 796 weight 1.00000E+00 volume 5.04179E+05 ppm1 1.787 ppm2 0.924
OR    {  796}   (resid  29  and  name  HB1)   (resid  27  and  name  HB2)
ASSI { 813} (resid 36 and name HD2#) (resid 29 and name HD1#) 2.064 0.264 6.319 peak 813 weight 1.00000E+00 volume 2.28730E+06 ppm1 0.687 ppm2 1.108
OR    {  813}   (resid  29  and  name  HD1#)  (resid  27  and  name  HG)
ASSI { 817} (resid 36 and name HA) (resid 29 and name HD1#) 2.901 0.79 4.17 peak 817 weight 1.00000E+00 volume 2.65250E+04 ppm1 0.684 ppm2 4.688
OR    {  817}   (resid  29  and  name  HD1#)  (resid  28  and  name  HA)
ASSI { 2090} (resid 36 and name HD1#) (resid 29 and name HB1) 2.261 0.461 4.978 peak 2090 weight 1.00000E+00 volume 6.92411E+04 ppm1 0.905 ppm2 1.814
ASSI { 1926} (resid 36 and name HD2#) (resid 31 and name HB2) 2.230 0.43 4.069 peak 1926 weight 1.00000E+00 volume 1.43821E+06 ppm1 2.027 ppm2 1.130
!was HD1#
ASSI { 1927} (resid 36 and name HD2#) (resid 31 and name HB2) 2.223 0.423 2.067 peak 1927 weight 1.00000E+00 volume 1.23076E+05 ppm1 2.027 ppm2 0.961
ASSI { 1431} (resid 36 and name HA) (resid 31 and name HA) 2.573 0.692 0.772 peak 1431 weight 1.00000E+00 volume 6.09015E+05 ppm1 5.312 ppm2 4.746
!was HD1#
ASSI { 2089} (resid 36 and name HD2#) (resid 31 and name HA) 2.661 0.718 2.198 peak 2089 weight 1.00000E+00 volume 2.70390E+04 ppm1 0.906 ppm2 5.302
ASSI { 2076} (resid 36 and name HD2#) (resid 36 and name HA) 2.793 0.758 3.238 peak 2076 weight 1.00000E+00 volume 3.83143E+04 ppm1 4.708 ppm2 1.111
ASSI { 2082} (resid 36 and name HD1#) (resid 36 and name HG) 2.756 0.747 4.127 peak 2082 weight 1.00000E+00 volume 4.02889E+05 ppm1 1.538 ppm2 0.885
ASSI { 2083} (resid 36 and name HD2#) (resid 36 and name HG) 2.763 0.749 3.229 peak 2083 weight 1.00000E+00 volume 3.96713E+05 ppm1 1.534 ppm2 1.162
ASSI { 2075} (resid 36 and name HD1#) (resid 36 and name HA) 2.133 0.333 3.94 peak 2075 weight 1.00000E+00 volume 7.29395E+04 ppm1 4.711 ppm2 0.939
ASSI { 2077} (resid 37 and name HG2) (resid 36 and name HA) 2.997 0.819 1.899 peak 2077 weight 1.00000E+00 volume 1.57615E+04 ppm1 4.713 ppm2 1.379
ASSI { 2091} (resid 37 and name HG2) (resid 36 and name HD1#) 2.058 0.258 3.017 peak 2091 weight 1.00000E+00 volume 1.25857E+05 ppm1 0.903 ppm2 1.343
ASSI { 1409} (resid 37 and name HB2) (resid 37 and name HA) 2.293 0.493 1.688 peak 1409 weight 1.00000E+00 volume 4.62737E+05 ppm1 1.526 ppm2 4.794
ASSI { 1419} (resid 37 and name HG2) (resid 37 and name HA) 2.766 0.75 1.83 peak 1419 weight 1.00000E+00 volume 2.39656E+05 ppm1 1.302 ppm2 4.791
ASSI { 1420} (resid 37 and name HG1) (resid 37 and name HA) 2.758 0.747 1.827 peak 1420 weight 1.00000E+00 volume 4.01584E+05 ppm1 1.232 ppm2 4.796
ASSI { 1421} (resid 37 and name HG1) (resid 37 and name HE1) 2.882 0.785 2.865 peak 1421 weight 1.00000E+00 volume 3.08295E+05 ppm1 1.231 ppm2 2.831
ASSI { 1422} (resid 37 and name HG2) (resid 37 and name HE1) 2.951 0.805 2.885 peak 1422 weight 1.00000E+00 volume 2.57863E+04 ppm1 1.295 ppm2 2.825
ASSI { 1423} (resid 37 and name HE1) (resid 37 and name HB1) 3.260 0.898 2.978 peak 1423 weight 1.00000E+00 volume 1.08148E+04 ppm1 1.690 ppm2 2.820
ASSI { 1424} (resid 37 and name HB2) (resid 37 and name HE1) 3.139 0.862 2.942 peak 1424 weight 1.00000E+00 volume 1.84751E+05 ppm1 1.525 ppm2 2.831
ASSI { 1425} (resid 37 and name HB2) (resid 37 and name HB1) 1.945 0.145 2.584 peak 1425 weight 1.00000E+00 volume 2.52139E+06 ppm1 1.525 ppm2 1.703
ASSI { 1427} (resid 37 and name HG2) (resid 37 and name HB2) 2.673 0.722 2.802 peak 1427 weight 1.00000E+00 volume 4.83875E+05 ppm1 1.533 ppm2 1.282
ASSI { 1429} (resid 37 and name HA) (resid 37 and name HD1) 3.210 0.883 1.963 peak 1429 weight 1.00000E+00 volume 1.61398E+05 ppm1 1.558 ppm2 4.798
ASSI { 1430} (resid 37 and name HA) (resid 37 and name HD2) 3.078 0.843 1.923 peak 1430 weight 1.00000E+00 volume 2.07892E+05 ppm1 1.602 ppm2 4.795
ASSI { 1410} (resid 37 and name HA) (resid 37 and name HB1) 2.403 0.603 1.721 peak 1410 weight 1.00000E+00 volume 5.61306E+05 ppm1 1.686 ppm2 4.789
ASSI { 2007} (resid 37 and name HG2) (resid 37 and name HE2) 3.578 0.993 3.073 peak 2007 weight 1.00000E+00 volume 8.41957E+04 ppm1 1.297 ppm2 2.543
ASSI { 2008} (resid 37 and name HG1) (resid 37 and name HE2) 2.933 0.8 2.88 peak 2008 weight 1.00000E+00 volume 1.78459E+04 ppm1 1.229 ppm2 2.557
ASSI { 2009} (resid 37 and name HB2) (resid 37 and name HE2) 3.292 0.908 2.988 peak 2009 weight 1.00000E+00 volume 6.28168E+03 ppm1 1.523 ppm2 2.514
ASSI { 2010} (resid 37 and name HE2) (resid 37 and name HB1) 3.586 0.996 3.076 peak 2010 weight 1.00000E+00 volume 7.47109E+03 ppm1 1.687 ppm2 2.545
ASSI { 2011} (resid 37 and name HG1) (resid 37 and name HD2) 2.206 0.406 2.662 peak 2011 weight 1.00000E+00 volume 1.26722E+05 ppm1 1.235 ppm2 1.588
ASSI { 2012} (resid 37 and name HG2) (resid 37 and name HD2) 2.397 0.597 2.719 peak 2012 weight 1.00000E+00 volume 8.31677E+04 ppm1 1.302 ppm2 1.584
ASSI { 2013} (resid 37 and name HG1) (resid 37 and name HB1) 2.259 0.459 2.678 peak 2013 weight 1.00000E+00 volume 8.40538E+04 ppm1 1.239 ppm2 1.745
ASSI { 1428} (resid 37 and name HG2) (resid 37 and name HB1) 2.541 0.682 2.762 peak 1428 weight 1.00000E+00 volume 6.56800E+05 ppm1 1.685 ppm2 1.286
ASSI { 2015} (resid 37 and name HE1) (resid 37 and name HD2) 2.427 0.627 2.728 peak 2015 weight 1.00000E+00 volume 8.64102E+05 ppm1 1.592 ppm2 2.867
ASSI { 2016} (resid 37 and name HE1) (resid 37 and name HD1) 2.514 0.674 2.754 peak 2016 weight 1.00000E+00 volume 1.95153E+04 ppm1 1.559 ppm2 2.859
ASSI { 106} (resid 38 and name HA) (resid 28 and name HB2) 3.054 0.836 1.916 peak 106 weight 1.00000E+00 volume 2.17625E+05 ppm1 5.338 ppm2 3.538
ASSI { 104} (resid 38 and name HA) (resid 38 and name HB#) 1.965 0.165 2.089 peak 104 weight 1.00000E+00 volume 3.29862E+05 ppm1 5.335 ppm2 1.107
ASSI { 638} (resid 38 and name HA) (resid 39 and name HA) 3.729 1.039 1.119 peak 638 weight 1.00000E+00 volume 1.69329E+04 ppm1 4.514 ppm2 5.381
ASSI { 1683} (resid 38 and name HB#) (resid 79 and name HB) 2.639 0.712 2.292 peak 1683 weight 1.00000E+00 volume 5.23495E+05 ppm1 1.397 ppm2 1.103
ASSI { 632} (resid 39 and name HA) (resid 39 and name HB) 2.232 0.432 0.670 peak 632 weight 1.00000E+00 volume 9.01930E+04 ppm1 4.041 ppm2 4.524
ASSI { 640} (resid 39 and name HA) (resid 39 and name HG1) 2.082 0.282 1.500 peak 640 weight 1.00000E+00 volume 2.16718E+06 ppm1 4.515 ppm2 1.137
ASSI { 641} (resid 39 and name HB) (resid 39 and name HG1) 2.094 0.294 0.628 peak 641 weight 1.00000E+00 volume 2.09799E+06 ppm1 4.039 ppm2 1.150
ASSI { 647} (resid 39 and name HA) (resid 39 and name HG2#) 2.303 0.503 2.191 peak 647 weight 1.00000E+00 volume 3.64083E+04 ppm1 1.120 ppm2 4.533
ASSI { 648} (resid 39 and name HB) (resid 39 and name HG2#) 2.136 0.336 2.141 peak 648 weight 1.00000E+00 volume 7.16296E+04 ppm1 1.120 ppm2 4.076
ASSI { 514} (resid 40 and name HA) (resid 26 and name HB2) 3.358 0.927 2.007 peak 514 weight 1.00000E+00 volume 1.23205E+05 ppm1 5.538 ppm2 1.760
ASSI { 516} (resid 40 and name HB1) (resid 26 and name HG1) 3.225 0.888 2.968 peak 516 weight 1.00000E+00 volume 1.57014E+05 ppm1 3.578 ppm2 1.281
ASSI { 517} (resid 40 and name HB2) (resid 26 and name HG1) 3.448 0.954 3.034 peak 517 weight 1.00000E+00 volume 1.28949E+04 ppm1 3.663 ppm2 1.284
ASSI { 519} (resid 40 and name HB1) (resid 26 and name HG2) 2.430 0.63 2.729 peak 519 weight 1.00000E+00 volume 7.53681E+04 ppm1 3.580 ppm2 1.137
OR    {  519}   (resid  72  and  name  HG1#)  (resid  40  and  name  HB1)
ASSI { 522} (resid 40 and name HA) (resid 26 and name HG1) 3.515 0.974 2.054 peak 522 weight 1.00000E+00 volume 9.36803E+04 ppm1 5.538 ppm2 1.295
ASSI { 504} (resid 40 and name HB1) (resid 27 and name HA) 3.060 0.838 1.918 peak 504 weight 1.00000E+00 volume 1.98864E+04 ppm1 3.578 ppm2 4.672
ASSI { 505} (resid 40 and name HB2) (resid 27 and name HA) 2.766 0.75 1.83 peak 505 weight 1.00000E+00 volume 1.59554E+05 ppm1 3.661 ppm2 4.677
ASSI { 506} (resid 40 and name HA) (resid 27 and name HA) 2.179 0.379 0.654 peak 506 weight 1.00000E+00 volume 1.65176E+06 ppm1 5.538 ppm2 4.656
ASSI { 515} (resid 40 and name HA) (resid 27 and name HB2) 3.291 0.907 1.987 peak 515 weight 1.00000E+00 volume 1.38966E+05 ppm1 5.536 ppm2 1.649
OR    {  515}   (resid  40  and  name  HA)    (resid  26  and  name  HB1)
ASSI { 634} (resid 40 and name HB1) (resid 39 and name HA) 2.619 0.706 1.786 peak 634 weight 1.00000E+00 volume 5.47663E+05 ppm1 4.515 ppm2 3.566
OR    {  634}   (resid  28  and  name  HB2)   (resid  39  and  name  HA)
ASSI { 502} (resid 40 and name HA) (resid 40 and name HB1) 2.132 0.332 1.64 peak 502 weight 1.00000E+00 volume 1.14120E+06 ppm1 3.578 ppm2 5.555
ASSI { 503} (resid 40 and name HA) (resid 40 and name HB2) 1.930 0.13 1.579 peak 503 weight 1.00000E+00 volume 9.13162E+04 ppm1 3.665 ppm2 5.550
ASSI { 507} (resid 40 and name HB1) (resid 40 and name HB2) 1.800 0.00 2.516 peak 507 weight 1.00000E+00 volume 5.43487E+05 ppm1 3.580 ppm2 3.698
ASSI { 494} (resid 40 and name HA) (resid 41 and name HB2) 4.284 1.205 1.716 peak 494 weight 1.00000E+00 volume 1.18831E+04 ppm1 3.738 ppm2 5.559
ASSI { 496} (resid 40 and name HA) (resid 41 and name HA) 3.273 0.902 0.982 peak 496 weight 1.00000E+00 volume 1.14233E+04 ppm1 4.614 ppm2 5.560
ASSI { 511} (resid 40 and name HA) (resid 72 and name HB) 3.105 0.852 0.932 peak 511 weight 1.00000E+00 volume 1.97023E+05 ppm1 5.538 ppm2 2.040
ASSI { 1448} (resid 41 and name HB2) (resid 26 and name HB2) 2.693 0.728 1.808 peak 1448 weight 1.00000E+00 volume 4.63479E+05 ppm1 1.733 ppm2 3.749
ASSI { 487} (resid 41 and name HA) (resid 41 and name HB2) 1.921 0.121 1.576 peak 487 weight 1.00000E+00 volume 3.51669E+06 ppm1 4.614 ppm2 3.735
ASSI { 488} (resid 41 and name HA) (resid 41 and name HB1) 1.949 0.149 1.585 peak 488 weight 1.00000E+00 volume 3.22394E+06 ppm1 4.613 ppm2 3.811
ASSI { 196} (resid 42 and name HB1) (resid 26 and name HG2) 3.237 0.891 2.971 peak 196 weight 1.00000E+00 volume 9.00370E+03 ppm1 3.160 ppm2 1.157
ASSI { 197} (resid 42 and name HB2) (resid 26 and name HG2) 3.304 0.911 2.991 peak 197 weight 1.00000E+00 volume 1.45918E+04 ppm1 3.032 ppm2 1.154
ASSI { 187} (resid 42 and name HB1) (resid 42 and name HA) 2.278 0.478 1.683 peak 187 weight 1.00000E+00 volume 1.26501E+06 ppm1 3.157 ppm2 4.397
ASSI { 188} (resid 42 and name HB2) (resid 42 and name HA) 2.273 0.473 1.682 peak 188 weight 1.00000E+00 volume 1.28149E+06 ppm1 3.036 ppm2 4.383
ASSI { 101} (resid 43 and name HB#) (resid 41 and name HA) 2.861 0.778 2.358 peak 101 weight 1.00000E+00 volume 3.22243E+05 ppm1 1.263 ppm2 4.643
ASSI { 95} (resid 43 and name HA) (resid 43 and name HB#) 1.804 0.004 2.041 peak 95 weight 1.00000E+00 volume 1.82125E+03 ppm1 3.909 ppm2 1.286
ASSI { 54} (resid 44 and name HA2) (resid 44 and name HA1) 1.888 0.088 0.567 peak 54 weight 1.00000E+00 volume 3.43127E+05 ppm1 3.444 ppm2 4.103
ASSI { 1492} (resid 45 and name HE#) (resid 24 and name HE2) 3.023 0.827 4.307 peak 1492 weight 1.00000E+00 volume 2.31374E+05 ppm1 2.583 ppm2 6.895
OR    {  1492}  (resid  21  and  name  HD21)  (resid  24  and  name  HE2)
ASSI { 1493} (resid 45 and name HD#) (resid 24 and name HE2) 3.476 0.963 4.443 peak 1493 weight 1.00000E+00 volume 1.00231E+05 ppm1 2.584 ppm2 7.086
ASSI { 1911} (resid 45 and name HB2) (resid 24 and name HB1) 3.186 0.876 2.956 peak 1911 weight 1.00000E+00 volume 1.69047E+05 ppm1 3.253 ppm2 1.762
ASSI { 1913} (resid 45 and name HB2) (resid 24 and name HG2) 3.255 0.896 2.976 peak 1913 weight 1.00000E+00 volume 1.48595E+05 ppm1 3.256 ppm2 1.143
ASSI { 1919} (resid 45 and name HB2) (resid 25 and name HA1) 3.098 0.849 1.929 peak 1919 weight 1.00000E+00 volume 1.99903E+05 ppm1 3.257 ppm2 4.363
ASSI { 1920} (resid 45 and name HB1) (resid 25 and name HA1) 2.648 0.714 1.794 peak 1920 weight 1.00000E+00 volume 5.12989E+05 ppm1 2.814 ppm2 4.397
ASSI { 191} (resid 45 and name HE#) (resid 42 and name HB1) 3.594 0.998 4.478 peak 191 weight 1.00000E+00 volume 8.19686E+04 ppm1 3.153 ppm2 6.875
ASSI { 192} (resid 45 and name HE#) (resid 42 and name HB2) 3.675 1.023 4.503 peak 192 weight 1.00000E+00 volume 7.16787E+04 ppm1 3.033 ppm2 6.861
ASSI { 193} (resid 45 and name HE#) (resid 42 and name HA) 3.710 1.033 3.513 peak 193 weight 1.00000E+00 volume 6.77908E+04 ppm1 4.399 ppm2 6.866
ASSI { 1904} (resid 45 and name HB1) (resid 45 and name HA) 2.229 0.429 1.669 peak 1904 weight 1.00000E+00 volume 1.44189E+06 ppm1 4.830 ppm2 2.839
ASSI { 1909} (resid 45 and name HB1) (resid 45 and name HB2) 2.022 0.222 2.607 peak 1909 weight 1.00000E+00 volume 1.83323E+06 ppm1 2.807 ppm2 3.290
ASSI { 1916} (resid 45 and name HD#) (resid 45 and name HB1) 2.954 0.806 4.286 peak 1916 weight 1.00000E+00 volume 2.65874E+05 ppm1 2.809 ppm2 7.078
ASSI { 1917} (resid 45 and name HD#) (resid 45 and name HB2) 2.888 0.786 4.266 peak 1917 weight 1.00000E+00 volume 3.04686E+05 ppm1 3.247 ppm2 7.071
ASSI { 1918} (resid 45 and name HD#) (resid 45 and name HA) 2.706 0.732 3.212 peak 1918 weight 1.00000E+00 volume 4.50274E+05 ppm1 4.826 ppm2 7.081
ASSI { 1908} (resid 45 and name HB2) (resid 45 and name HA) 2.277 0.477 1.683 peak 1908 weight 1.00000E+00 volume 2.35534E+04 ppm1 3.252 ppm2 4.839
ASSI { 48} (resid 46 and name HA2) (resid 24 and name HB1) 3.577 0.993 2.073 peak 48 weight 1.00000E+00 volume 8.43530E+04 ppm1 3.552 ppm2 1.744
ASSI { 44} (resid 46 and name HA2) (resid 46 and name HA1) 1.891 0.091 0.567 peak 44 weight 1.00000E+00 volume 3.71121E+05 ppm1 3.549 ppm2 4.967
ASSI { 51} (resid 46 and name HA2) (resid 47 and name HD1#) 2.999 0.82 2.4 peak 51 weight 1.00000E+00 volume 2.48300E+04 ppm1 3.549 ppm2 1.001
ASSI { 52} (resid 46 and name HA1) (resid 47 and name HD1#) 2.938 0.801 2.381 peak 52 weight 1.00000E+00 volume 3.52038E+04 ppm1 4.948 ppm2 0.994
ASSI { 50} (resid 46 and name HA2) (resid 71 and name HG2#) 3.217 0.885 2.465 peak 50 weight 1.00000E+00 volume 1.59419E+05 ppm1 3.549 ppm2 1.193
ASSI { 53} (resid 46 and name HA1) (resid 71 and name HG2#) 3.201 0.88 2.46 peak 53 weight 1.00000E+00 volume 1.64172E+05 ppm1 4.951 ppm2 1.193
ASSI { 1897} (resid 47 and name HG2#) (resid 22 and name HE1) 2.885 0.786 3.366 peak 1897 weight 1.00000E+00 volume 4.20916E+04 ppm1 1.086 ppm2 3.136
OR    {  1897}  (resid  47  and  name  HG2#)  (resid  22  and  name  HE2)
ASSI { 1318} (resid 47 and name HB) (resid 47 and name HA) 2.969 0.811 0.891 peak 1318 weight 1.00000E+00 volume 2.07645E+04 ppm1 2.128 ppm2 3.978
ASSI { 1322} (resid 47 and name HG2#) (resid 47 and name HA) 2.027 0.227 2.108 peak 1322 weight 1.00000E+00 volume 4.43434E+05 ppm1 3.974 ppm2 0.986
ASSI { 1881} (resid 47 and name HG12) (resid 47 and name HB) 2.375 0.575 1.712 peak 1881 weight 1.00000E+00 volume 9.85457E+05 ppm1 2.128 ppm2 1.106
ASSI { 1882} (resid 47 and name HB) (resid 47 and name HD1#) 2.558 0.688 2.268 peak 1882 weight 1.00000E+00 volume 6.30100E+05 ppm1 2.132 ppm2 0.969
ASSI { 1883} (resid 47 and name HG11) (resid 47 and name HA) 2.615 0.705 1.785 peak 1883 weight 1.00000E+00 volume 5.52161E+05 ppm1 1.716 ppm2 3.998
ASSI { 1321} (resid 47 and name HG12) (resid 47 and name HA) 2.316 0.516 1.695 peak 1321 weight 1.00000E+00 volume 1.14379E+06 ppm1 3.972 ppm2 1.163
ASSI { 1885} (resid 47 and name HG11) (resid 47 and name HB) 2.708 0.732 1.812 peak 1885 weight 1.00000E+00 volume 4.47964E+05 ppm1 1.718 ppm2 2.161
ASSI { 1887} (resid 47 and name HG12) (resid 47 and name HG11) 1.821 0.021 2.546 peak 1887 weight 1.00000E+00 volume 2.96407E+06 ppm1 1.714 ppm2 1.217
ASSI { 1889} (resid 47 and name HG11) (resid 47 and name HD1#) 2.176 0.376 3.153 peak 1889 weight 1.00000E+00 volume 1.67426E+05 ppm1 1.709 ppm2 0.990
ASSI { 1891} (resid 47 and name HG12) (resid 47 and name HD1#) 2.191 0.391 3.157 peak 1891 weight 1.00000E+00 volume 1.20957E+05 ppm1 1.189 ppm2 0.988
ASSI { 1893} (resid 47 and name HG11) (resid 47 and name HG2#) 2.036 0.236 3.111 peak 1893 weight 1.00000E+00 volume 3.40907E+05 ppm1 1.087 ppm2 1.740
ASSI { 1894} (resid 47 and name HG2#) (resid 47 and name HB) 1.940 0.14 2.082 peak 1894 weight 1.00000E+00 volume 3.96570E+05 ppm1 1.088 ppm2 2.158
ASSI { 478} (resid 47 and name HB) (resid 48 and name HB2) 2.618 0.705 1.785 peak 478 weight 1.00000E+00 volume 1.77059E+04 ppm1 4.237 ppm2 2.153
ASSI { 1899} (resid 47 and name HG2#) (resid 48 and name HB2) 2.165 0.365 3.15 peak 1899 weight 1.00000E+00 volume 1.71493E+06 ppm1 1.085 ppm2 4.214
ASSI { 1900} (resid 47 and name HG2#) (resid 48 and name HA) 3.053 0.836 2.416 peak 1900 weight 1.00000E+00 volume 2.18055E+05 ppm1 1.086 ppm2 4.409
ASSI { 1521} (resid 48 and name HB1) (resid 22 and name HE1) 3.232 0.889 2.969 peak 1521 weight 1.00000E+00 volume 1.55112E+05 ppm1 3.130 ppm2 3.977
OR    {  1521}  (resid  22  and  name  HE1)   (resid  47  and  name  HA)
ASSI { 481} (resid 48 and name HB2) (resid 24 and name HD2) 2.688 0.726 2.806 peak 481 weight 1.00000E+00 volume 4.68431E+05 ppm1 4.236 ppm2 1.774
OR    {  481}   (resid  69  and  name  HG2)   (resid  48  and  name  HB2)
ASSI { 484} (resid 48 and name HA) (resid 24 and name HD1) 2.672 0.721 1.801 peak 484 weight 1.00000E+00 volume 2.55314E+04 ppm1 4.392 ppm2 1.354
ASSI { 485} (resid 48 and name HA) (resid 24 and name HG2) 2.915 0.794 1.874 peak 485 weight 1.00000E+00 volume 2.88007E+05 ppm1 4.387 ppm2 1.129
OR    {  485}   (resid  47  and  name  HG12)  (resid  48  and  name  HA)
ASSI { 486} (resid 48 and name HB2) (resid 24 and name HG2) 2.774 0.752 2.832 peak 486 weight 1.00000E+00 volume 4.12603E+04 ppm1 4.235 ppm2 1.116
OR    {  486}   (resid  47  and  name  HG12)  (resid  48  and  name  HB2)
ASSI { 477} (resid 48 and name HA) (resid 47 and name HB) 3.109 0.853 0.933 peak 477 weight 1.00000E+00 volume 1.11239E+04 ppm1 4.391 ppm2 2.167
ASSI { 461} (resid 48 and name HA) (resid 48 and name HB2) 2.150 0.35 1.645 peak 461 weight 1.00000E+00 volume 9.67757E+05 ppm1 4.390 ppm2 4.237
ASSI { 466} (resid 48 and name HA) (resid 48 and name HB1) 2.093 0.293 1.628 peak 466 weight 1.00000E+00 volume 2.10193E+06 ppm1 4.388 ppm2 3.949
ASSI { 465} (resid 48 and name HB1) (resid 48 and name HB2) 1.875 0.075 2.563 peak 465 weight 1.00000E+00 volume 3.70285E+05 ppm1 4.242 ppm2 3.961
ASSI { 1896} (resid 49 and name HB1) (resid 47 and name HG2#) 2.932 0.8 3.38 peak 1896 weight 1.00000E+00 volume 2.78251E+05 ppm1 1.085 ppm2 2.910
ASSI { 1877} (resid 49 and name HD#) (resid 48 and name HA) 3.621 1.006 3.486 peak 1877 weight 1.00000E+00 volume 7.84164E+04 ppm1 4.393 ppm2 7.253
ASSI { 2048} (resid 50 and name HG2) (resid 48 and name HB2) 3.056 0.837 2.917 peak 2048 weight 1.00000E+00 volume 2.24621E+04 ppm1 4.236 ppm2 2.280
ASSI { 357} (resid 50 and name HB2) (resid 50 and name HA) 2.066 0.266 1.62 peak 357 weight 1.00000E+00 volume 2.27513E+06 ppm1 4.282 ppm2 1.913
ASSI { 353} (resid 50 and name HB1) (resid 50 and name HA) 2.018 0.218 1.605 peak 353 weight 1.00000E+00 volume 2.61617E+06 ppm1 4.284 ppm2 1.871
ASSI { 362} (resid 50 and name HB2) (resid 50 and name HB1) 1.800 0.00 2.516 peak 362 weight 1.00000E+00 volume 1.21451E+07 ppm1 1.903 ppm2 1.862
ASSI { 365} (resid 50 and name HB1) (resid 50 and name HG1) 2.495 0.669 2.749 peak 365 weight 1.00000E+00 volume 2.97377E+04 ppm1 1.842 ppm2 2.187
ASSI { 366} (resid 50 and name HG2) (resid 50 and name HG1) 1.800 0.00 2.516 peak 366 weight 1.00000E+00 volume 6.68765E+05 ppm1 2.156 ppm2 2.289
ASSI { 356} (resid 50 and name HG2) (resid 50 and name HA) 2.536 0.681 1.761 peak 356 weight 1.00000E+00 volume 6.64716E+05 ppm1 4.286 ppm2 2.291
ASSI { 354} (resid 50 and name HG1) (resid 50 and name HA) 2.397 0.597 1.719 peak 354 weight 1.00000E+00 volume 9.30820E+05 ppm1 4.282 ppm2 2.186
ASSI { 370} (resid 50 and name HB2) (resid 50 and name HG2) 2.336 0.536 2.701 peak 370 weight 1.00000E+00 volume 1.08703E+06 ppm1 2.276 ppm2 1.888
ASSI { 364} (resid 50 and name HB2) (resid 50 and name HG1) 2.178 0.378 2.653 peak 364 weight 1.00000E+00 volume 5.78202E+04 ppm1 1.901 ppm2 2.193
ASSI { 1998} (resid 50 and name HB2) (resid 52 and name HG2) 2.606 0.702 2.782 peak 1998 weight 1.00000E+00 volume 5.63526E+05 ppm1 1.116 ppm2 1.895
OR    {  1998}  (resid  50  and  name  HB1)   (resid  52  and  name  HG2)
ASSI { 355} (resid 50 and name HA) (resid 69 and name HE2) 3.139 0.862 1.942 peak 355 weight 1.00000E+00 volume 1.84780E+05 ppm1 4.281 ppm2 2.880
ASSI { 1256} (resid 50 and name HA) (resid 69 and name HD2) 3.084 0.845 1.925 peak 1256 weight 1.00000E+00 volume 2.14761E+04 ppm1 1.952 ppm2 4.265
ASSI { 1257} (resid 50 and name HA) (resid 69 and name HD1) 3.021 0.826 1.906 peak 1257 weight 1.00000E+00 volume 2.32429E+05 ppm1 1.851 ppm2 4.265
ASSI { 264} (resid 51 and name HA) (resid 19 and name HD2) 3.422 0.947 2.027 peak 264 weight 1.00000E+00 volume 1.10053E+05 ppm1 4.771 ppm2 1.920
OR    {  264}   (resid  51  and  name  HA)    (resid  50  and  name  HB2)
OR    {  264}   (resid  51  and  name  HA)    (resid  69  and  name  HB2)
ASSI { 260} (resid 51 and name HA) (resid 51 and name HB1) 2.278 0.478 1.684 peak 260 weight 1.00000E+00 volume 1.09611E+05 ppm1 4.771 ppm2 2.931
ASSI { 261} (resid 51 and name HA) (resid 51 and name HB2) 2.229 0.429 1.669 peak 261 weight 1.00000E+00 volume 1.18162E+05 ppm1 4.773 ppm2 2.421
ASSI { 262} (resid 51 and name HB1) (resid 51 and name HB2) 1.818 0.018 2.545 peak 262 weight 1.00000E+00 volume 2.47178E+05 ppm1 2.912 ppm2 2.438
ASSI { 266} (resid 51 and name HA) (resid 52 and name HD2) 2.403 0.603 1.721 peak 266 weight 1.00000E+00 volume 6.91656E+04 ppm1 4.771 ppm2 1.626
ASSI { 1312} (resid 51 and name HB1) (resid 52 and name HB1) 2.735 0.74 1.82 peak 1312 weight 1.00000E+00 volume 4.22436E+05 ppm1 1.514 ppm2 2.874
OR    {  1312}  (resid  68  and  name  HG2)   (resid  52  and  name  HB1)
ASSI { 1991} (resid 51 and name HB2) (resid 52 and name HB2) 3.006 0.822 1.902 peak 1991 weight 1.00000E+00 volume 2.39245E+05 ppm1 1.410 ppm2 2.438
OR    {  1991}  (resid  68  and  name  HB1)   (resid  52  and  name  HB2)
ASSI { 265} (resid 51 and name HA) (resid 69 and name HG2) 2.682 0.724 1.804 peak 265 weight 1.00000E+00 volume 4.75243E+05 ppm1 4.771 ppm2 1.762
OR    {  265}   (resid  51  and  name  HA)    (resid  22  and  name  HD2)
OR    {  265}   (resid  51  and  name  HA)    (resid  20  and  name  HB2)
ASSI { 267} (resid 51 and name HA) (resid 69 and name HG1) 2.480 0.664 1.744 peak 267 weight 1.00000E+00 volume 1.33570E+04 ppm1 4.775 ppm2 1.275
ASSI { 1240} (resid 51 and name HA) (resid 69 and name HG2) 2.907 0.792 1.872 peak 1240 weight 1.00000E+00 volume 1.55550E+04 ppm1 1.729 ppm2 4.850
ASSI { 268} (resid 52 and name HD2) (resid 51 and name HB1) 3.025 0.827 2.907 peak 268 weight 1.00000E+00 volume 1.04492E+04 ppm1 2.909 ppm2 1.618
OR    {  268}   (resid  51  and  name  HB1)   (resid  20  and  name  HB1)
ASSI { 269} (resid 52 and name HD2) (resid 51 and name HB2) 3.056 0.837 2.917 peak 269 weight 1.00000E+00 volume 8.12852E+03 ppm1 2.406 ppm2 1.604
ASSI { 1303} (resid 52 and name HB2) (resid 52 and name HB1) 1.809 0.009 2.543 peak 1303 weight 1.00000E+00 volume 4.42071E+06 ppm1 1.514 ppm2 1.415
ASSI { 1309} (resid 52 and name HB1) (resid 52 and name HG1) 2.566 0.69 2.77 peak 1309 weight 1.00000E+00 volume 5.91058E+04 ppm1 1.514 ppm2 1.164
ASSI { 1310} (resid 52 and name HB2) (resid 52 and name HG1) 2.532 0.68 2.76 peak 1310 weight 1.00000E+00 volume 6.95837E+04 ppm1 1.414 ppm2 1.161
ASSI { 1306} (resid 52 and name HB1) (resid 52 and name HA) 2.122 0.322 1.636 peak 1306 weight 1.00000E+00 volume 1.93738E+06 ppm1 4.401 ppm2 1.549
ASSI { 1305} (resid 52 and name HB2) (resid 52 and name HA) 2.493 0.668 1.748 peak 1305 weight 1.00000E+00 volume 7.36229E+05 ppm1 4.402 ppm2 1.411
ASSI { 1316} (resid 52 and name HA) (resid 52 and name HG2) 2.655 0.716 1.796 peak 1316 weight 1.00000E+00 volume 2.76654E+04 ppm1 1.119 ppm2 4.417
ASSI { 1308} (resid 52 and name HA) (resid 52 and name HG1) 2.305 0.505 1.692 peak 1308 weight 1.00000E+00 volume 1.17779E+06 ppm1 4.398 ppm2 1.161
ASSI { 2000} (resid 52 and name HD1) (resid 52 and name HA) 3.045 0.834 1.914 peak 2000 weight 1.00000E+00 volume 2.21529E+05 ppm1 1.570 ppm2 4.428
ASSI { 172} (resid 53 and name HA) (resid 53 and name HB1) 2.547 0.684 1.764 peak 172 weight 1.00000E+00 volume 6.46940E+05 ppm1 5.602 ppm2 2.554
ASSI { 173} (resid 53 and name HB2) (resid 53 and name HA) 2.396 0.596 1.719 peak 173 weight 1.00000E+00 volume 9.33736E+05 ppm1 5.600 ppm2 2.078
ASSI { 179} (resid 53 and name HB2) (resid 53 and name HB1) 1.893 0.093 2.568 peak 179 weight 1.00000E+00 volume 3.84389E+06 ppm1 2.058 ppm2 2.556
ASSI { 175} (resid 53 and name HA) (resid 54 and name HB1) 3.237 0.891 1.971 peak 175 weight 1.00000E+00 volume 1.53462E+05 ppm1 5.601 ppm2 0.950
ASSI { 957} (resid 53 and name HD22) (resid 94 and name HB) 3.619 1.006 1.086 peak 957 weight 1.00000E+00 volume 7.17318E+03 ppm1 1.948 ppm2 7.267
ASSI { 745} (resid 54 and name HH2) (resid 16 and name HG2#) 3.178 0.874 1.954 peak 745 weight 1.00000E+00 volume 8.91597E+03 ppm1 0.871 ppm2 6.979
ASSI { 746} (resid 54 and name HZ2) (resid 16 and name HG2#) 4.459 1.258 1.541 peak 746 weight 1.00000E+00 volume 2.20926E+03 ppm1 0.870 ppm2 7.151
ASSI { 1856} (resid 54 and name HB2) (resid 54 and name HB1) 2.071 0.271 2.621 peak 1856 weight 1.00000E+00 volume 1.67946E+06 ppm1 0.894 ppm2 2.234
ASSI { 1855} (resid 54 and name HB2) (resid 54 and name HA) 2.420 0.62 1.726 peak 1855 weight 1.00000E+00 volume 4.19545E+05 ppm1 2.213 ppm2 4.663
ASSI { 1854} (resid 54 and name HA) (resid 54 and name HB1) 2.630 0.709 1.789 peak 1854 weight 1.00000E+00 volume 2.55683E+05 ppm1 0.883 ppm2 4.663
ASSI { 1863} (resid 54 and name HD1) (resid 54 and name HB1) 2.912 0.793 1.873 peak 1863 weight 1.00000E+00 volume 2.90005E+05 ppm1 0.881 ppm2 6.669
ASSI { 1868} (resid 54 and name HB2) (resid 54 and name HD1) 3.043 0.833 1.913 peak 1868 weight 1.00000E+00 volume 1.13422E+04 ppm1 2.209 ppm2 6.669
ASSI { 1870} (resid 54 and name HA) (resid 54 and name HD1) 3.713 1.034 1.114 peak 1870 weight 1.00000E+00 volume 3.64863E+03 ppm1 4.635 ppm2 6.654
ASSI { 1033} (resid 54 and name HZ2) (resid 91 and name HG2#) 2.189 0.389 2.157 peak 1033 weight 1.00000E+00 volume 2.11452E+05 ppm1 1.095 ppm2 7.150
ASSI { 1001} (resid 54 and name HH2) (resid 92 and name HA) 2.440 0.64 0.732 peak 1001 weight 1.00000E+00 volume 8.89340E+04 ppm1 4.991 ppm2 6.960
ASSI { 2030} (resid 54 and name HZ2) (resid 92 and name HA) 2.693 0.728 0.808 peak 2030 weight 1.00000E+00 volume 4.63362E+05 ppm1 4.994 ppm2 7.145
ASSI { 374} (resid 54 and name HB2) (resid 93 and name HA) 3.119 0.856 1.936 peak 374 weight 1.00000E+00 volume 1.92053E+05 ppm1 3.664 ppm2 2.230
!increased bound
ASSI { 29} (resid 55 and name HA2) (resid 54 and name HZ3) 3.255 0.897 1.7 peak 29 weight 1.00000E+00 volume 8.83280E+03 ppm1 3.209 ppm2 7.062
ASSI { 31} (resid 55 and name HA1) (resid 54 and name HZ3) 3.683 1.025 1.105 peak 31 weight 1.00000E+00 volume 7.08210E+04 ppm1 5.116 ppm2 7.049
ASSI { 34} (resid 55 and name HA1) (resid 54 and name HB1) 2.734 0.74 1.82 peak 34 weight 1.00000E+00 volume 4.75832E+04 ppm1 5.118 ppm2 0.924
ASSI { 39} (resid 55 and name HA2) (resid 54 and name HB1) 2.604 0.701 1.781 peak 39 weight 1.00000E+00 volume 5.66981E+05 ppm1 3.209 ppm2 0.945
ASSI { 26} (resid 55 and name HA2) (resid 55 and name HA1) 1.896 0.096 0.569 peak 26 weight 1.00000E+00 volume 2.72432E+06 ppm1 5.116 ppm2 3.233
ASSI { 612} (resid 55 and name HA2) (resid 65 and name HA) 2.597 0.699 0.779 peak 612 weight 1.00000E+00 volume 5.46723E+04 ppm1 5.218 ppm2 3.219
OR    {  612}   (resid  66  and  name  HB1)   (resid  65  and  name  HA)
ASSI { 625} (resid 55 and name HA2) (resid 65 and name HG2#) 2.968 0.81 2.39 peak 625 weight 1.00000E+00 volume 3.51067E+04 ppm1 0.934 ppm2 3.218
OR    {  625}   (resid  66  and  name  HB1)   (resid  65  and  name  HG2#)
ASSI { 1837} (resid 56 and name HG11) (resid 54 and name HZ3) 3.447 0.954 2.034 peak 1837 weight 1.00000E+00 volume 1.25194E+04 ppm1 1.221 ppm2 7.037
ASSI { 1839} (resid 56 and name HG12) (resid 54 and name HH2) 3.009 0.823 1.903 peak 1839 weight 1.00000E+00 volume 1.66635E+04 ppm1 1.928 ppm2 7.004
OR    {  1839}  (resid  56  and  name  HG12)  (resid  54  and  name  HZ3)
ASSI { 1821} (resid 56 and name HA) (resid 56 and name HG2#) 2.516 0.675 2.255 peak 1821 weight 1.00000E+00 volume 5.37120E+04 ppm1 4.832 ppm2 0.812
ASSI { 1820} (resid 56 and name HG11) (resid 56 and name HA) 2.590 0.697 1.777 peak 1820 weight 1.00000E+00 volume 5.84916E+05 ppm1 4.832 ppm2 1.222
ASSI { 1302} (resid 56 and name HG12) (resid 56 and name HA) 2.752 0.746 1.826 peak 1302 weight 1.00000E+00 volume 4.06942E+05 ppm1 4.828 ppm2 1.918
ASSI { 1832} (resid 56 and name HG12) (resid 56 and name HG11) 2.124 0.324 2.637 peak 1832 weight 1.00000E+00 volume 1.82668E+06 ppm1 1.219 ppm2 1.944
ASSI { 1835} (resid 56 and name HG11) (resid 56 and name HD1#) 2.303 0.503 3.191 peak 1835 weight 1.00000E+00 volume 1.07251E+06 ppm1 1.221 ppm2 0.881
ASSI { 1840} (resid 56 and name HG11) (resid 56 and name HG2#) 2.436 0.636 3.231 peak 1840 weight 1.00000E+00 volume 1.33650E+05 ppm1 0.780 ppm2 1.221
ASSI { 1841} (resid 56 and name HG12) (resid 56 and name HG2#) 2.138 0.338 3.141 peak 1841 weight 1.00000E+00 volume 1.84886E+06 ppm1 0.780 ppm2 1.895
ASSI { 1834} (resid 56 and name HG12) (resid 56 and name HD1#) 2.012 0.212 3.104 peak 1834 weight 1.00000E+00 volume 9.43190E+05 ppm1 1.928 ppm2 0.919
ASSI { 1851} (resid 56 and name HD1#) (resid 56 and name HA) 2.860 0.778 2.358 peak 1851 weight 1.00000E+00 volume 4.31080E+04 ppm1 0.899 ppm2 4.873
ASSI { 699} (resid 56 and name HG12) (resid 63 and name HG1#) 2.817 0.765 2.845 peak 699 weight 1.00000E+00 volume 3.53849E+05 ppm1 0.892 ppm2 1.874
ASSI { 714} (resid 56 and name HG12) (resid 63 and name HG2#) 2.349 0.549 2.705 peak 714 weight 1.00000E+00 volume 1.05038E+06 ppm1 0.996 ppm2 2.022
ASSI { 1763} (resid 56 and name HG12) (resid 64 and name HB1) 2.779 0.754 2.834 peak 1763 weight 1.00000E+00 volume 3.16468E+04 ppm1 3.388 ppm2 1.893
ASSI { 1764} (resid 56 and name HG12) (resid 64 and name HB2) 2.693 0.728 2.808 peak 1764 weight 1.00000E+00 volume 4.63131E+05 ppm1 2.165 ppm2 1.893
ASSI { 1770} (resid 56 and name HD1#) (resid 64 and name HA) 2.820 0.766 2.346 peak 1770 weight 1.00000E+00 volume 2.59336E+04 ppm1 4.691 ppm2 0.909
ASSI { 292} (resid 56 and name HG11) (resid 90 and name HB2) 3.263 0.899 2.979 peak 292 weight 1.00000E+00 volume 1.46505E+05 ppm1 1.993 ppm2 1.263
ASSI { 293} (resid 56 and name HG11) (resid 90 and name HB1) 3.519 0.976 3.056 peak 293 weight 1.00000E+00 volume 1.44673E+04 ppm1 1.883 ppm2 1.259
ASSI { 1623} (resid 56 and name HA) (resid 91 and name HD1#) 2.957 0.807 2.387 peak 1623 weight 1.00000E+00 volume 2.64045E+05 ppm1 0.849 ppm2 4.861
ASSI { 1010} (resid 56 and name HA) (resid 91 and name HA) 2.456 0.656 0.737 peak 1010 weight 1.00000E+00 volume 8.04708E+05 ppm1 5.562 ppm2 4.874
ASSI { 1622} (resid 56 and name HA) (resid 91 and name HG11) 2.848 0.774 1.854 peak 1622 weight 1.00000E+00 volume 3.31281E+05 ppm1 1.608 ppm2 4.851
ASSI { 1844} (resid 56 and name HD1#) (resid 91 and name HG11) 2.748 0.744 3.324 peak 1844 weight 1.00000E+00 volume 4.10289E+05 ppm1 0.900 ppm2 1.575
ASSI { 28} (resid 57 and name HE#) (resid 55 and name HA2) 2.671 0.721 3.201 peak 28 weight 1.00000E+00 volume 4.70337E+04 ppm1 3.212 ppm2 7.248
ASSI { 30} (resid 57 and name HE#) (resid 55 and name HA1) 3.052 0.835 3.315 peak 30 weight 1.00000E+00 volume 2.18783E+05 ppm1 5.116 ppm2 7.229
ASSI { 1822} (resid 57 and name HD#) (resid 56 and name HA) 3.553 0.986 3.466 peak 1822 weight 1.00000E+00 volume 5.74316E+03 ppm1 4.835 ppm2 7.083
ASSI { 1803} (resid 57 and name HB2) (resid 57 and name HA) 2.526 0.678 1.758 peak 1803 weight 1.00000E+00 volume 3.55425E+05 ppm1 2.503 ppm2 5.434
ASSI { 1804} (resid 57 and name HB1) (resid 57 and name HA) 2.677 0.723 1.803 peak 1804 weight 1.00000E+00 volume 2.70036E+05 ppm1 3.170 ppm2 5.414
ASSI { 1805} (resid 57 and name HD#) (resid 57 and name HB1) 2.696 0.729 4.209 peak 1805 weight 1.00000E+00 volume 2.24363E+04 ppm1 3.177 ppm2 7.072
ASSI { 1806} (resid 57 and name HD#) (resid 57 and name HB2) 2.619 0.706 4.186 peak 1806 weight 1.00000E+00 volume 2.85062E+04 ppm1 2.503 ppm2 7.081
ASSI { 1807} (resid 57 and name HD#) (resid 57 and name HA) 2.908 0.792 3.272 peak 1807 weight 1.00000E+00 volume 2.92185E+05 ppm1 5.393 ppm2 7.081
ASSI { 1794} (resid 57 and name HA) (resid 58 and name HG1#) 3.551 0.985 2.065 peak 1794 weight 1.00000E+00 volume 1.63098E+04 ppm1 0.914 ppm2 5.431
ASSI { 1265} (resid 57 and name HA) (resid 62 and name HA) 2.318 0.518 0.695 peak 1265 weight 1.00000E+00 volume 9.82786E+05 ppm1 3.613 ppm2 5.398
ASSI { 1266} (resid 57 and name HD#) (resid 62 and name HA) 3.099 0.85 2.33 peak 1266 weight 1.00000E+00 volume 1.99619E+05 ppm1 3.613 ppm2 7.068
ASSI { 2116} (resid 57 and name HE#) (resid 62 and name HD1) 3.263 0.899 4.379 peak 2116 weight 1.00000E+00 volume 1.46280E+05 ppm1 1.420 ppm2 7.262
OR    {  2116}  (resid  57  and  name  HZ)    (resid  62  and  name  HD1)
ASSI { 2117} (resid 57 and name HZ) (resid 62 and name HD2) 3.151 0.865 1.945 peak 2117 weight 1.00000E+00 volume 1.13552E+04 ppm1 1.464 ppm2 7.262
OR    {  2117}  (resid  57  and  name  HE#)   (resid  62  and  name  HD2)
ASSI { 2130} (resid 57 and name HZ) (resid 62 and name HE1) 3.326 0.918 1.58 peak 2130 weight 1.00000E+00 volume 1.28884E+04 ppm1 2.832 ppm2 7.270
OR    {  2130}  (resid  57  and  name  HE#)   (resid  62  and  name  HE1)
ASSI { 2131} (resid 57 and name HE#) (resid 62 and name HE2) 3.283 0.905 4.385 peak 2131 weight 1.00000E+00 volume 1.41177E+05 ppm1 2.730 ppm2 7.256
OR    {  2131}  (resid  57  and  name  HZ)    (resid  62  and  name  HE2)
ASSI { 703} (resid 57 and name HA) (resid 63 and name HG1#) 2.839 0.772 1.852 peak 703 weight 1.00000E+00 volume 1.27830E+05 ppm1 0.893 ppm2 5.392
ASSI { 291} (resid 57 and name HB1) (resid 90 and name HB1) 2.899 0.79 1.87 peak 291 weight 1.00000E+00 volume 2.97737E+05 ppm1 1.884 ppm2 3.199
ASSI { 300} (resid 57 and name HD#) (resid 90 and name HG1) 3.814 1.064 4.544 peak 300 weight 1.00000E+00 volume 1.92413E+03 ppm1 2.092 ppm2 7.089
OR    {  300}   (resid  88  and  name  HD#)   (resid  90  and  name  HG1)
ASSI { 301} (resid 57 and name HD#) (resid 90 and name HG2) 3.798 1.059 4.539 peak 301 weight 1.00000E+00 volume 2.04412E+03 ppm1 2.158 ppm2 7.089
OR    {  301}   (resid  88  and  name  HD#)   (resid  90  and  name  HG2)
ASSI { 290} (resid 57 and name HB1) (resid 90 and name HB2) 2.872 0.782 2.862 peak 290 weight 1.00000E+00 volume 3.14922E+05 ppm1 1.994 ppm2 3.205
ASSI { 1817} (resid 57 and name HB2) (resid 90 and name HB1) 3.092 0.848 2.928 peak 1817 weight 1.00000E+00 volume 2.50442E+03 ppm1 2.496 ppm2 1.904
ASSI { 1818} (resid 57 and name HB2) (resid 90 and name HB2) 2.889 0.787 1.867 peak 1818 weight 1.00000E+00 volume 6.57632E+03 ppm1 2.496 ppm2 2.037
ASSI { 2046} (resid 57 and name HD#) (resid 92 and name HG1) 3.299 0.91 4.39 peak 2046 weight 1.00000E+00 volume 1.37080E+05 ppm1 1.237 ppm2 7.072
ASSI { 2047} (resid 57 and name HE#) (resid 92 and name HG1) 3.235 0.891 4.371 peak 2047 weight 1.00000E+00 volume 1.24688E+04 ppm1 1.238 ppm2 7.239
ASSI { 2139} (resid 57 and name HZ) (resid 92 and name HE2) 3.338 0.921 2.001 peak 2139 weight 1.00000E+00 volume 1.10254E+04 ppm1 2.076 ppm2 7.245
OR    {  2139}  (resid  57  and  name  HE#)   (resid  92  and  name  HE2)
ASSI { 2140} (resid 57 and name HE#) (resid 92 and name HE1) 3.276 0.903 4.383 peak 2140 weight 1.00000E+00 volume 1.42902E+05 ppm1 2.255 ppm2 7.252
OR    {  2140}  (resid  57  and  name  HZ)    (resid  92  and  name  HE1)
ASSI { 721} (resid 58 and name HG2#) (resid 58 and name HB) 2.002 0.202 1.101 peak 721 weight 1.00000E+00 volume 1.88315E+06 ppm1 1.988 ppm2 0.948
ASSI { 729} (resid 58 and name HG2#) (resid 58 and name HA) 2.293 0.493 1.188 peak 729 weight 1.00000E+00 volume 1.43990E+05 ppm1 0.941 ppm2 4.746
ASSI { 1782} (resid 58 and name HB) (resid 58 and name HA) 2.915 0.794 0.874 peak 1782 weight 1.00000E+00 volume 2.88035E+05 ppm1 4.729 ppm2 2.026
ASSI { 1786} (resid 58 and name HG1#) (resid 58 and name HB) 2.104 0.304 1.631 peak 1786 weight 1.00000E+00 volume 2.03534E+06 ppm1 0.914 ppm2 2.015
ASSI { 1792} (resid 58 and name HG1#) (resid 58 and name HA) 2.338 0.538 1.701 peak 1792 weight 1.00000E+00 volume 1.08205E+06 ppm1 0.916 ppm2 4.732
ASSI { 170} (resid 58 and name HG2#) (resid 59 and name HB2) 3.089 0.847 2.927 peak 170 weight 1.00000E+00 volume 2.03178E+05 ppm1 3.045 ppm2 0.963
ASSI { 1790} (resid 58 and name HG1#) (resid 61 and name HG2) 3.318 0.915 2.995 peak 1790 weight 1.00000E+00 volume 1.32441E+05 ppm1 0.918 ppm2 2.276
ASSI { 1795} (resid 58 and name HG2#) (resid 61 and name HG2) 3.046 0.834 2.914 peak 1795 weight 1.00000E+00 volume 2.41049E+04 ppm1 0.935 ppm2 2.275
ASSI { 1788} (resid 58 and name HG1#) (resid 84 and name HG2#) 3.230 0.889 2.969 peak 1788 weight 1.00000E+00 volume -1.55641E+05 ppm1 0.916 ppm2 0.736
OR    {  1788}  (resid  89  and  name  HG2#)  (resid  58  and  name  HG1#)
OR    {  1788}  (resid  84  and  name  HD1#)  (resid  58  and  name  HG1#)
OR    {  1788}  (resid  58  and  name  HG1#)  (resid  89  and  name  HD1#)
OR    {  1788}  (resid  58  and  name  HG1#)  (resid  56  and  name  HG2#)
ASSI { 9} (resid 58 and name HG2#) (resid 86 and name HA2) 3.008 0.823 1.903 peak 9 weight 1.00000E+00 volume 1.47249E+04 ppm1 3.406 ppm2 0.895
ASSI { 1793} (resid 58 and name HG1#) (resid 89 and name HA) 2.884 0.785 1.865 peak 1793 weight 1.00000E+00 volume 3.07182E+05 ppm1 0.911 ppm2 5.024
ASSI { 166} (resid 59 and name HB2) (resid 59 and name HA) 2.281 0.481 1.684 peak 166 weight 1.00000E+00 volume 5.81590E+04 ppm1 3.043 ppm2 4.670
ASSI { 24} (resid 60 and name HA2) (resid 60 and name HA1) 2.124 0.324 0.637 peak 24 weight 1.00000E+00 volume 1.42729E+06 ppm1 3.679 ppm2 4.375
ASSI { 345} (resid 61 and name HG2) (resid 59 and name HB2) 3.846 1.074 3.154 peak 345 weight 1.00000E+00 volume 5.46076E+04 ppm1 2.311 ppm2 2.979
ASSI { 346} (resid 61 and name HG1) (resid 59 and name HB2) 4.104 1.151 2.896 peak 346 weight 1.00000E+00 volume 1.27754E+04 ppm1 2.215 ppm2 2.983
ASSI { 347} (resid 61 and name HG2) (resid 61 and name HG1) 1.800 0.00 2.516 peak 347 weight 1.00000E+00 volume 7.48294E+05 ppm1 2.215 ppm2 2.313
ASSI { 349} (resid 61 and name HB2) (resid 61 and name HG1) 2.546 0.684 2.764 peak 349 weight 1.00000E+00 volume 6.81398E+04 ppm1 2.211 ppm2 1.972
ASSI { 350} (resid 61 and name HB2) (resid 61 and name HG2) 2.473 0.662 2.742 peak 350 weight 1.00000E+00 volume 6.01182E+04 ppm1 2.311 ppm2 1.972
ASSI { 2094} (resid 61 and name HA) (resid 61 and name HG2) 2.570 0.691 1.771 peak 2094 weight 1.00000E+00 volume 5.85366E+04 ppm1 4.887 ppm2 2.321
ASSI { 2096} (resid 61 and name HA) (resid 61 and name HB2) 2.392 0.592 1.718 peak 2096 weight 1.00000E+00 volume 9.42932E+05 ppm1 4.887 ppm2 1.985
ASSI { 2095} (resid 61 and name HA) (resid 61 and name HB1) 2.451 0.651 1.735 peak 2095 weight 1.00000E+00 volume 8.14940E+05 ppm1 4.888 ppm2 2.161
ASSI { 2102} (resid 61 and name HB1) (resid 61 and name HG2) 2.399 0.599 2.72 peak 2102 weight 1.00000E+00 volume 8.84473E+04 ppm1 2.149 ppm2 2.336
ASSI { 1778} (resid 61 and name HB1) (resid 61 and name HB2) 1.800 0.00 2.516 peak 1778 weight 1.00000E+00 volume 3.34220E+05 ppm1 2.103 ppm2 2.003
ASSI { 2106} (resid 61 and name HA) (resid 61 and name HG1) 2.862 0.779 1.859 peak 2106 weight 1.00000E+00 volume 3.71725E+04 ppm1 2.212 ppm2 4.925
!(resid 61 and name HB1)
ASSI { 1625} (resid 90 and name HG2) (resid 89 and name HG12) 3.127 0.858 2.938 peak 1625 weight 1.00000E+00 volume 2.76740E+04 ppm1 1.508 ppm2 2.160
ASSI { 351} (resid 62 and name HB2) (resid 61 and name HG2) 3.386 0.936 3.016 peak 351 weight 1.00000E+00 volume 1.53526E+04 ppm1 2.315 ppm2 1.287
ASSI { 352} (resid 62 and name HB2) (resid 61 and name HG1) 3.415 0.944 3.024 peak 352 weight 1.00000E+00 volume 1.11482E+05 ppm1 2.213 ppm2 1.291
ASSI { 2097} (resid 62 and name HB2) (resid 61 and name HA) 2.871 0.781 1.861 peak 2097 weight 1.00000E+00 volume 3.54900E+04 ppm1 4.892 ppm2 1.280
ASSI { 1264} (resid 62 and name HG2) (resid 62 and name HA) 2.517 0.675 1.755 peak 1264 weight 1.00000E+00 volume 5.92192E+04 ppm1 3.616 ppm2 0.489
ASSI { 1262} (resid 62 and name HB2) (resid 62 and name HA) 2.522 0.677 1.757 peak 1262 weight 1.00000E+00 volume 6.52311E+04 ppm1 3.614 ppm2 1.289
ASSI { 1260} (resid 62 and name HB1) (resid 62 and name HA) 2.630 0.709 1.789 peak 1260 weight 1.00000E+00 volume 4.68574E+04 ppm1 3.620 ppm2 1.675
ASSI { 1270} (resid 62 and name HB2) (resid 62 and name HB1) 2.121 0.321 2.636 peak 1270 weight 1.00000E+00 volume 1.86712E+06 ppm1 1.255 ppm2 1.675
ASSI { 1272} (resid 62 and name HB1) (resid 62 and name HG1) 2.533 0.68 2.76 peak 1272 weight 1.00000E+00 volume 2.40272E+04 ppm1 1.662 ppm2 0.811
ASSI { 1273} (resid 62 and name HB1) (resid 62 and name HG2) 2.685 0.726 2.806 peak 1273 weight 1.00000E+00 volume 1.19311E+04 ppm1 1.659 ppm2 0.471
ASSI { 1274} (resid 62 and name HB2) (resid 62 and name HG2) 2.561 0.688 2.768 peak 1274 weight 1.00000E+00 volume 1.46050E+04 ppm1 1.257 ppm2 0.503
ASSI { 1282} (resid 62 and name HG2) (resid 62 and name HG1) 1.940 0.14 2.582 peak 1282 weight 1.00000E+00 volume 2.85712E+05 ppm1 0.788 ppm2 0.489
ASSI { 1285} (resid 62 and name HD2) (resid 62 and name HG2) 2.381 0.581 2.714 peak 1285 weight 1.00000E+00 volume 9.69111E+05 ppm1 0.464 ppm2 1.460
ASSI { 1286} (resid 62 and name HD2) (resid 62 and name HG1) 2.455 0.655 2.737 peak 1286 weight 1.00000E+00 volume 8.06218E+05 ppm1 0.784 ppm2 1.463
ASSI { 1275} (resid 62 and name HB2) (resid 62 and name HG1) 2.591 0.697 2.777 peak 1275 weight 1.00000E+00 volume 1.44606E+04 ppm1 1.260 ppm2 0.811
ASSI { 1263} (resid 62 and name HG1) (resid 62 and name HA) 2.622 0.707 1.787 peak 1263 weight 1.00000E+00 volume 5.21397E+04 ppm1 3.619 ppm2 0.819
ASSI { 2111} (resid 62 and name HD1) (resid 62 and name HG2) 2.713 0.734 2.814 peak 2111 weight 1.00000E+00 volume 4.43021E+05 ppm1 1.422 ppm2 0.480
ASSI { 2113} (resid 62 and name HD1) (resid 62 and name HG1) 2.682 0.725 2.805 peak 2113 weight 1.00000E+00 volume 3.15386E+04 ppm1 1.422 ppm2 0.793
ASSI { 2114} (resid 62 and name HD2) (resid 62 and name HE1) 2.866 0.78 2.86 peak 2114 weight 1.00000E+00 volume 2.52230E+04 ppm1 1.468 ppm2 2.851
ASSI { 2115} (resid 62 and name HD1) (resid 62 and name HE1) 2.511 0.673 2.753 peak 2115 weight 1.00000E+00 volume 1.25568E+04 ppm1 1.421 ppm2 2.843
ASSI { 2118} (resid 62 and name HG2) (resid 62 and name HE1) 3.101 0.85 2.93 peak 2118 weight 1.00000E+00 volume 1.81418E+04 ppm1 2.828 ppm2 0.483
ASSI { 2120} (resid 62 and name HG1) (resid 62 and name HE1) 2.799 0.76 2.84 peak 2120 weight 1.00000E+00 volume 3.47987E+04 ppm1 2.828 ppm2 0.798
ASSI { 1277} (resid 62 and name HB2) (resid 62 and name HE1) 2.859 0.778 2.858 peak 1277 weight 1.00000E+00 volume 1.32417E+04 ppm1 1.252 ppm2 2.809
ASSI { 1276} (resid 62 and name HB1) (resid 62 and name HE1) 2.491 0.667 2.747 peak 1276 weight 1.00000E+00 volume 1.88811E+04 ppm1 1.659 ppm2 2.822
!(resid 63 and name HG1#)
ASSI { 2122} (resid 62 and name HE1) (resid 65 and name HG2#) 2.987 0.816 2.896 peak 2122 weight 1.00000E+00 volume 1.84482E+04 ppm1 2.832 ppm2 0.948
ASSI { 2123} (resid 62 and name HE2) (resid 65 and name HG2#) 2.987 0.816 2.896 peak 2123 weight 1.00000E+00 volume 1.87029E+04 ppm1 2.729 ppm2 0.945
ASSI { 698} (resid 63 and name HG1#) (resid 58 and name HB) 2.857 0.777 1.857 peak 698 weight 1.00000E+00 volume 3.24591E+05 ppm1 0.894 ppm2 2.034
ASSI { 685} (resid 63 and name HB) (resid 63 and name HA) 2.060 0.26 0.618 peak 685 weight 1.00000E+00 volume 1.42777E+06 ppm1 2.240 ppm2 4.526
ASSI { 688} (resid 63 and name HG1#) (resid 63 and name HA) 2.540 0.682 1.762 peak 688 weight 1.00000E+00 volume 6.57737E+05 ppm1 4.514 ppm2 0.885
ASSI { 689} (resid 63 and name HG2#) (resid 63 and name HA) 2.030 0.23 1.109 peak 689 weight 1.00000E+00 volume 2.52305E+06 ppm1 4.514 ppm2 1.016
ASSI { 696} (resid 63 and name HB) (resid 63 and name HG2#) 2.037 0.237 1.111 peak 696 weight 1.00000E+00 volume 1.32165E+05 ppm1 2.238 ppm2 1.012
ASSI { 695} (resid 63 and name HB) (resid 63 and name HG1#) 2.278 0.478 1.684 peak 695 weight 1.00000E+00 volume 8.56682E+04 ppm1 2.238 ppm2 0.879
ASSI { 1768} (resid 64 and name HB1) (resid 56 and name HD1#) 2.493 0.668 3.248 peak 1768 weight 1.00000E+00 volume 7.35253E+05 ppm1 3.382 ppm2 0.901
OR    {  1768}  (resid  64  and  name  HB1)   (resid  63  and  name  HG1#)
ASSI { 1848} (resid 64 and name HB2) (resid 56 and name HD1#) 2.587 0.696 3.276 peak 1848 weight 1.00000E+00 volume 5.89593E+05 ppm1 0.899 ppm2 2.184
ASSI { 1850} (resid 64 and name HB1) (resid 56 and name HD1#) 2.825 0.768 3.348 peak 1850 weight 1.00000E+00 volume 3.47330E+05 ppm1 0.899 ppm2 3.412
ASSI { 1853} (resid 64 and name HD#) (resid 56 and name HD1#) 2.179 0.379 4.554 peak 1853 weight 1.00000E+00 volume 1.65230E+06 ppm1 0.902 ppm2 7.035
ASSI { 700} (resid 64 and name HB1) (resid 63 and name HG1#) 2.979 0.814 2.894 peak 700 weight 1.00000E+00 volume 2.52691E+05 ppm1 0.893 ppm2 3.401
ASSI { 704} (resid 64 and name HD#) (resid 63 and name HG1#) 3.907 1.092 4.493 peak 704 weight 1.00000E+00 volume 4.96738E+04 ppm1 0.895 ppm2 7.040
ASSI { 1765} (resid 64 and name HB2) (resid 63 and name HG1#) 2.634 0.71 2.79 peak 1765 weight 1.00000E+00 volume 5.28724E+05 ppm1 2.161 ppm2 0.901
OR    {  1765}  (resid  64  and  name  HB2)   (resid  82  and  name  HD1#)
OR    {  1765}  (resid  64  and  name  HB2)   (resid  56  and  name  HD1#)
ASSI { 1757} (resid 64 and name HD#) (resid 64 and name HB2) 2.597 0.699 4.179 peak 1757 weight 1.00000E+00 volume 5.75344E+05 ppm1 2.165 ppm2 7.034
ASSI { 1758} (resid 64 and name HD#) (resid 64 and name HB1) 2.502 0.671 4.151 peak 1758 weight 1.00000E+00 volume 6.66380E+04 ppm1 3.388 ppm2 7.055
ASSI { 1759} (resid 64 and name HB2) (resid 64 and name HA) 2.609 0.703 1.783 peak 1759 weight 1.00000E+00 volume 1.43880E+04 ppm1 2.161 ppm2 4.733
ASSI { 1760} (resid 64 and name HB1) (resid 64 and name HA) 2.314 0.514 1.694 peak 1760 weight 1.00000E+00 volume 3.86402E+04 ppm1 3.388 ppm2 4.712
ASSI { 1761} (resid 64 and name HB2) (resid 64 and name HB1) 2.005 0.205 2.602 peak 1761 weight 1.00000E+00 volume 1.42287E+05 ppm1 2.165 ppm2 3.417
ASSI { 1773} (resid 64 and name HD#) (resid 64 and name HA) 2.326 0.526 3.098 peak 1773 weight 1.00000E+00 volume 1.15708E+05 ppm1 4.692 ppm2 7.052
ASSI { 610} (resid 65 and name HB) (resid 65 and name HA) 2.441 0.641 0.732 peak 610 weight 1.00000E+00 volume 7.34811E+05 ppm1 5.218 ppm2 3.744
ASSI { 618} (resid 65 and name HG2#) (resid 65 and name HA) 2.256 0.456 2.177 peak 618 weight 1.00000E+00 volume 7.68863E+04 ppm1 5.220 ppm2 0.934
ASSI { 619} (resid 65 and name HB) (resid 65 and name HG2#) 2.153 0.353 2.146 peak 619 weight 1.00000E+00 volume 1.53683E+05 ppm1 3.731 ppm2 0.939
ASSI { 925} (resid 66 and name HZ) (resid 20 and name HD1#) 2.830 0.769 3.249 peak 925 weight 1.00000E+00 volume 3.44153E+05 ppm1 -0.004 ppm2 6.391
ASSI { 859} (resid 66 and name HZ) (resid 27 and name HD1#) 3.174 0.872 3.352 peak 859 weight 1.00000E+00 volume 1.72692E+05 ppm1 0.339 ppm2 6.413
ASSI { 830} (resid 66 and name HZ) (resid 29 and name HD2#) 3.582 0.994 3.474 peak 830 weight 1.00000E+00 volume 5.93705E+03 ppm1 0.731 ppm2 6.415
ASSI { 831} (resid 66 and name HE#) (resid 29 and name HD2#) 3.578 0.993 5.873 peak 831 weight 1.00000E+00 volume 8.42599E+04 ppm1 0.726 ppm2 6.687
ASSI { 1836} (resid 66 and name HE#) (resid 56 and name HG11) 3.459 0.958 4.438 peak 1836 weight 1.00000E+00 volume 9.73984E+03 ppm1 1.223 ppm2 6.695
ASSI { 1838} (resid 66 and name HE#) (resid 56 and name HG12) 3.207 0.882 4.362 peak 1838 weight 1.00000E+00 volume 1.40694E+04 ppm1 1.934 ppm2 6.706
ASSI { 1849} (resid 66 and name HB2) (resid 56 and name HD1#) 3.276 0.903 3.483 peak 1849 weight 1.00000E+00 volume 1.43048E+05 ppm1 0.898 ppm2 2.970
ASSI { 1852} (resid 66 and name HE#) (resid 56 and name HD1#) 2.493 0.668 4.648 peak 1852 weight 1.00000E+00 volume 6.08836E+04 ppm1 0.901 ppm2 6.710
ASSI { 1745} (resid 66 and name HB1) (resid 64 and name HE#) 2.900 0.79 4.27 peak 1745 weight 1.00000E+00 volume 1.81828E+04 ppm1 3.184 ppm2 6.793
ASSI { 1747} (resid 66 and name HB2) (resid 64 and name HE#) 3.189 0.877 4.357 peak 1747 weight 1.00000E+00 volume 1.67901E+05 ppm1 2.959 ppm2 6.782
ASSI { 614} (resid 66 and name HD#) (resid 65 and name HA) 3.145 0.863 3.343 peak 614 weight 1.00000E+00 volume 1.24263E+04 ppm1 5.216 ppm2 6.984
ASSI { 615} (resid 66 and name HB1) (resid 65 and name HB) 4.334 1.22 1.666 peak 615 weight 1.00000E+00 volume -2.66520E+04 ppm1 3.727 ppm2 3.209
OR    {  615}   (resid  55  and  name  HA2)   (resid  65  and  name  HB)
ASSI { 1720} (resid 66 and name HB1) (resid 66 and name HA) 2.175 0.375 1.652 peak 1720 weight 1.00000E+00 volume 2.16946E+04 ppm1 3.191 ppm2 4.968
ASSI { 1721} (resid 66 and name HB1) (resid 66 and name HB2) 2.307 0.507 2.692 peak 1721 weight 1.00000E+00 volume 4.68973E+04 ppm1 2.959 ppm2 3.215
ASSI { 1719} (resid 66 and name HB2) (resid 66 and name HA) 2.191 0.391 1.657 peak 1719 weight 1.00000E+00 volume 3.81395E+05 ppm1 2.957 ppm2 4.979
ASSI { 1744} (resid 66 and name HD#) (resid 66 and name HA) 2.773 0.752 3.232 peak 1744 weight 1.00000E+00 volume 4.88911E+04 ppm1 4.952 ppm2 6.964
ASSI { 1746} (resid 66 and name HD#) (resid 66 and name HB1) 2.744 0.743 4.223 peak 1746 weight 1.00000E+00 volume 4.13667E+05 ppm1 3.186 ppm2 6.969
ASSI { 1748} (resid 66 and name HD#) (resid 66 and name HB2) 2.759 0.748 4.228 peak 1748 weight 1.00000E+00 volume 4.00734E+05 ppm1 2.963 ppm2 6.952
ASSI { 1390} (resid 66 and name HD#) (resid 75 and name HG2#) 2.668 0.72 4.7 peak 1390 weight 1.00000E+00 volume 4.90064E+05 ppm1 0.234 ppm2 6.971
ASSI { 1404} (resid 66 and name HE#) (resid 75 and name HD1#) 2.883 0.785 4.765 peak 1404 weight 1.00000E+00 volume 3.07492E+05 ppm1 0.788 ppm2 6.698
ASSI { 1405} (resid 66 and name HD#) (resid 75 and name HD1#) 2.324 0.524 4.597 peak 1405 weight 1.00000E+00 volume 1.12189E+06 ppm1 0.787 ppm2 6.963
ASSI { 1749} (resid 66 and name HB2) (resid 75 and name HG12) 3.215 0.884 2.964 peak 1749 weight 1.00000E+00 volume 1.59996E+05 ppm1 2.953 ppm2 1.732
ASSI { 1750} (resid 66 and name HB1) (resid 75 and name HG12) 3.529 0.979 3.059 peak 1750 weight 1.00000E+00 volume 9.15287E+04 ppm1 3.187 ppm2 1.748
ASSI { 1751} (resid 66 and name HB2) (resid 75 and name HG11) 3.201 0.88 2.96 peak 1751 weight 1.00000E+00 volume 1.64238E+05 ppm1 2.958 ppm2 0.995
ASSI { 1752} (resid 66 and name HB1) (resid 75 and name HG11) 3.245 0.894 2.974 peak 1752 weight 1.00000E+00 volume 5.60747E+03 ppm1 3.182 ppm2 0.990
ASSI { 1397} (resid 66 and name HB1) (resid 75 and name HD1#) 2.803 0.761 3.341 peak 1397 weight 1.00000E+00 volume 3.64179E+05 ppm1 0.790 ppm2 3.210
ASSI { 1396} (resid 66 and name HB2) (resid 75 and name HD1#) 2.438 0.638 3.231 peak 1396 weight 1.00000E+00 volume 8.41681E+05 ppm1 0.789 ppm2 2.981
ASSI { 1052} (resid 66 and name HZ) (resid 91 and name HD1#) 3.328 0.918 2.498 peak 1052 weight 1.00000E+00 volume 1.30162E+05 ppm1 0.851 ppm2 6.453
ASSI { 161} (resid 67 and name HA) (resid 54 and name HD1) 3.453 0.956 1.036 peak 161 weight 1.00000E+00 volume 1.05900E+04 ppm1 5.689 ppm2 6.628
ASSI { 626} (resid 67 and name HB2) (resid 65 and name HG2#) 3.127 0.858 3.438 peak 626 weight 1.00000E+00 volume 2.86649E+04 ppm1 0.935 ppm2 2.747
ASSI { 153} (resid 67 and name HB2) (resid 67 and name HB1) 1.836 0.036 2.551 peak 153 weight 1.00000E+00 volume 2.88082E+05 ppm1 2.726 ppm2 2.649
ASSI { 156} (resid 67 and name HA) (resid 67 and name HB1) 2.559 0.688 1.768 peak 156 weight 1.00000E+00 volume 3.57490E+04 ppm1 5.683 ppm2 2.644
ASSI { 157} (resid 67 and name HA) (resid 67 and name HB2) 2.385 0.585 1.716 peak 157 weight 1.00000E+00 volume 7.25204E+04 ppm1 5.683 ppm2 2.739
ASSI { 438} (resid 67 and name HB1) (resid 70 and name HA) 3.646 1.014 2.094 peak 438 weight 1.00000E+00 volume 6.99179E+03 ppm1 4.441 ppm2 2.678
ASSI { 1879} (resid 68 and name HB1) (resid 47 and name HB) 2.615 0.705 1.785 peak 1879 weight 1.00000E+00 volume 5.52414E+05 ppm1 2.133 ppm2 2.454
ASSI { 1895} (resid 68 and name HB1) (resid 47 and name HG2#) 2.454 0.654 3.236 peak 1895 weight 1.00000E+00 volume 1.35236E+05 ppm1 1.089 ppm2 2.451
ASSI { 1311} (resid 68 and name HG2) (resid 52 and name HA) 3.124 0.857 1.937 peak 1311 weight 1.00000E+00 volume 2.13645E+04 ppm1 4.398 ppm2 2.870
OR    {  1311}  (resid  51  and  name  HB1)   (resid  52  and  name  HA)
ASSI { 1313} (resid 68 and name HG2) (resid 52 and name HB2) 2.763 0.749 2.829 peak 1313 weight 1.00000E+00 volume 3.97322E+05 ppm1 1.407 ppm2 2.885
OR    {  1313}  (resid  51  and  name  HB1)   (resid  52  and  name  HB2)
ASSI { 1992} (resid 68 and name HB2) (resid 52 and name HB2) 3.036 0.831 1.911 peak 1992 weight 1.00000E+00 volume 2.25593E+05 ppm1 1.410 ppm2 2.266
ASSI { 1994} (resid 68 and name HB2) (resid 52 and name HB1) 3.132 0.86 2.94 peak 1994 weight 1.00000E+00 volume 1.87028E+05 ppm1 1.519 ppm2 2.266
ASSI { 1995} (resid 68 and name HB1) (resid 52 and name HB1) 2.999 0.82 1.9 peak 1995 weight 1.00000E+00 volume 1.79466E+04 ppm1 1.514 ppm2 2.455
OR    {  1995}  (resid  51  and  name  HB2)   (resid  52  and  name  HB1)
ASSI { 1996} (resid 68 and name HG2) (resid 52 and name HG1) 2.877 0.783 2.863 peak 1996 weight 1.00000E+00 volume 3.11752E+05 ppm1 1.187 ppm2 2.861
ASSI { 1997} (resid 68 and name HG2) (resid 52 and name HG2) 2.533 0.68 1.76 peak 1997 weight 1.00000E+00 volume 6.69681E+05 ppm1 1.123 ppm2 2.847
ASSI { 326} (resid 68 and name HG1) (resid 54 and name HD1) 2.925 0.798 1.878 peak 326 weight 1.00000E+00 volume 2.81951E+05 ppm1 2.245 ppm2 6.636
ASSI { 327} (resid 68 and name HG2) (resid 54 and name HD1) 2.716 0.735 1.815 peak 327 weight 1.00000E+00 volume 4.39839E+05 ppm1 2.888 ppm2 6.630
ASSI { 305} (resid 68 and name HA) (resid 68 and name HG2) 2.812 0.764 1.844 peak 305 weight 1.00000E+00 volume 3.49766E+05 ppm1 4.143 ppm2 2.894
ASSI { 306} (resid 68 and name HB1) (resid 68 and name HG2) 2.152 0.352 2.646 peak 306 weight 1.00000E+00 volume 7.07619E+05 ppm1 2.423 ppm2 2.908
ASSI { 304} (resid 68 and name HA) (resid 68 and name HB1) 2.385 0.585 1.716 peak 304 weight 1.00000E+00 volume 5.94850E+05 ppm1 2.426 ppm2 4.166
ASSI { 308} (resid 68 and name HA) (resid 68 and name HB2) 2.576 0.693 1.773 peak 308 weight 1.00000E+00 volume 6.04151E+05 ppm1 4.146 ppm2 2.263
ASSI { 309} (resid 68 and name HA) (resid 68 and name HG1) 2.413 0.613 1.724 peak 309 weight 1.00000E+00 volume 8.94339E+05 ppm1 4.147 ppm2 2.164
ASSI { 314} (resid 68 and name HG2) (resid 68 and name HG1) 2.075 0.275 2.622 peak 314 weight 1.00000E+00 volume 2.38509E+05 ppm1 2.891 ppm2 2.276
ASSI { 317} (resid 68 and name HB1) (resid 68 and name HG1) 2.229 0.429 2.669 peak 317 weight 1.00000E+00 volume 1.43969E+06 ppm1 2.251 ppm2 2.454
ASSI { 1320} (resid 69 and name HG2) (resid 47 and name HA) 2.556 0.687 1.767 peak 1320 weight 1.00000E+00 volume 6.34123E+05 ppm1 3.971 ppm2 1.749
OR    {  1320}  (resid  24  and  name  HB1)   (resid  47  and  name  HA)
ASSI { 482} (resid 69 and name HG2) (resid 48 and name HA) 2.747 0.744 1.824 peak 482 weight 1.00000E+00 volume 3.51197E+04 ppm1 4.389 ppm2 1.777
OR    {  482}   (resid  48  and  name  HA)    (resid  24  and  name  HD2)
ASSI { 165} (resid 69 and name HG2) (resid 67 and name HB1) 3.343 0.923 3.003 peak 165 weight 1.00000E+00 volume 1.26618E+05 ppm1 2.635 ppm2 1.783
ASSI { 1583} (resid 69 and name HG2) (resid 67 and name HB2) 3.455 0.957 3.037 peak 1583 weight 1.00000E+00 volume 8.51420E+03 ppm1 2.725 ppm2 1.773
ASSI { 310} (resid 69 and name HG2) (resid 68 and name HA) 3.297 0.909 1.989 peak 310 weight 1.00000E+00 volume 1.37530E+05 ppm1 4.146 ppm2 1.756
ASSI { 1231} (resid 69 and name HG1) (resid 69 and name HB2) 2.564 0.689 2.769 peak 1231 weight 1.00000E+00 volume 6.22515E+05 ppm1 1.907 ppm2 1.278
ASSI { 1233} (resid 69 and name HG2) (resid 69 and name HA) 2.281 0.481 1.684 peak 1233 weight 1.00000E+00 volume 1.25524E+06 ppm1 4.587 ppm2 1.756
ASSI { 1237} (resid 69 and name HB2) (resid 69 and name HE2) 2.726 0.738 2.818 peak 1237 weight 1.00000E+00 volume 4.30908E+05 ppm1 1.905 ppm2 2.895
ASSI { 1234} (resid 69 and name HB2) (resid 69 and name HA) 2.365 0.565 1.709 peak 1234 weight 1.00000E+00 volume 1.01092E+06 ppm1 4.588 ppm2 1.936
ASSI { 1241} (resid 69 and name HG1) (resid 69 and name HA) 2.655 0.716 1.796 peak 1241 weight 1.00000E+00 volume 5.04941E+05 ppm1 1.263 ppm2 4.611
ASSI { 1243} (resid 69 and name HG2) (resid 69 and name HE2) 3.026 0.828 2.908 peak 1243 weight 1.00000E+00 volume 2.30187E+05 ppm1 1.726 ppm2 2.887
ASSI { 1244} (resid 69 and name HG1) (resid 69 and name HE2) 2.817 0.765 2.845 peak 1244 weight 1.00000E+00 volume 3.53559E+05 ppm1 1.261 ppm2 2.882
ASSI { 1246} (resid 69 and name HG2) (resid 69 and name HG1) 1.922 0.122 2.577 peak 1246 weight 1.00000E+00 volume 3.50779E+06 ppm1 1.263 ppm2 1.757
ASSI { 1248} (resid 69 and name HG2) (resid 69 and name HB2) 1.852 0.052 2.556 peak 1248 weight 1.00000E+00 volume 2.10034E+05 ppm1 1.713 ppm2 1.923
ASSI { 1250} (resid 69 and name HD2) (resid 69 and name HD1) 1.800 0.00 2.516 peak 1250 weight 1.00000E+00 volume 1.13370E+06 ppm1 1.851 ppm2 1.945
ASSI { 442} (resid 69 and name HB2) (resid 70 and name HA) 3.560 0.988 2.068 peak 442 weight 1.00000E+00 volume 7.20512E+03 ppm1 4.443 ppm2 1.939
ASSI { 444} (resid 69 and name HG2) (resid 70 and name HB1) 2.966 0.81 2.89 peak 444 weight 1.00000E+00 volume 2.59519E+05 ppm1 4.251 ppm2 1.761
OR    {  444}   (resid  75  and  name  HG12)  (resid  70  and  name  HB1)
ASSI { 445} (resid 69 and name HG2) (resid 70 and name HB2) 2.727 0.738 2.818 peak 445 weight 1.00000E+00 volume 4.54665E+04 ppm1 4.055 ppm2 1.757
OR    {  445}   (resid  75  and  name  HG12)  (resid  70  and  name  HB2)
ASSI { 447} (resid 70 and name HA) (resid 47 and name HD1#) 3.366 0.93 2.51 peak 447 weight 1.00000E+00 volume 1.21491E+05 ppm1 4.443 ppm2 0.997
OR    {  447}   (resid  75  and  name  HG11)  (resid  70  and  name  HA)
ASSI { 439} (resid 70 and name HB1) (resid 67 and name HB1) 3.973 1.112 2.027 peak 439 weight 1.00000E+00 volume 7.14865E+03 ppm1 4.259 ppm2 2.630
ASSI { 440} (resid 70 and name HB2) (resid 67 and name HB1) 5.000 1.42 2 peak 440 weight 1.00000E+00 volume 5.66889E+03 ppm1 4.057 ppm2 2.633
ASSI { 430} (resid 70 and name HB2) (resid 70 and name HB1) 2.003 0.203 2.601 peak 430 weight 1.00000E+00 volume 5.68858E+05 ppm1 4.053 ppm2 4.289
ASSI { 429} (resid 70 and name HB2) (resid 70 and name HA) 2.281 0.481 1.684 peak 429 weight 1.00000E+00 volume 1.25356E+06 ppm1 4.443 ppm2 4.071
ASSI { 428} (resid 70 and name HB1) (resid 70 and name HA) 2.201 0.401 1.66 peak 428 weight 1.00000E+00 volume 3.53322E+05 ppm1 4.441 ppm2 4.279
ASSI { 449} (resid 70 and name HB1) (resid 71 and name HG2#) 3.579 0.994 3.574 peak 449 weight 1.00000E+00 volume 8.41331E+04 ppm1 4.262 ppm2 1.197
ASSI { 450} (resid 70 and name HB2) (resid 71 and name HG2#) 4.225 1.188 3.275 peak 450 weight 1.00000E+00 volume 3.10573E+04 ppm1 4.051 ppm2 1.223
ASSI { 58} (resid 71 and name HG2#) (resid 44 and name HA2) 2.964 0.809 2.389 peak 58 weight 1.00000E+00 volume 2.60431E+05 ppm1 3.447 ppm2 1.204
OR    {  58}    (resid  24  and  name  HG1)   (resid  44  and  name  HA2)
ASSI { 59} (resid 71 and name HG2#) (resid 44 and name HA1) 2.828 0.768 2.348 peak 59 weight 1.00000E+00 volume 2.47085E+04 ppm1 4.082 ppm2 1.216
OR    {  59}    (resid  24  and  name  HG1)   (resid  44  and  name  HA1)
ASSI { 591} (resid 71 and name HB) (resid 44 and name HA1) 3.511 0.973 1.053 peak 591 weight 1.00000E+00 volume 3.58936E+04 ppm1 4.463 ppm2 4.104
OR    {  591}   (resid  70  and  name  HB2)   (resid  71  and  name  HB)
ASSI { 593} (resid 71 and name HB) (resid 44 and name HA2) 3.627 1.008 1.088 peak 593 weight 1.00000E+00 volume 1.05919E+04 ppm1 4.465 ppm2 3.496
ASSI { 603} (resid 71 and name HG2#) (resid 44 and name HA2) 3.496 0.969 2.549 peak 603 weight 1.00000E+00 volume 9.67763E+04 ppm1 1.189 ppm2 3.482
ASSI { 605} (resid 71 and name HG2#) (resid 44 and name HA1) 3.260 0.898 2.478 peak 605 weight 1.00000E+00 volume 1.47272E+05 ppm1 1.186 ppm2 4.109
OR    {  605}   (resid  70  and  name  HB2)   (resid  71  and  name  HG2#)
ASSI { 2043} (resid 71 and name HG2#) (resid 45 and name HA) 2.527 0.678 2.258 peak 2043 weight 1.00000E+00 volume 6.77783E+05 ppm1 4.823 ppm2 1.223
!increase bound 1A!
ASSI { 586} (resid 71 and name HA) (resid 46 and name HA1) 2.157 0.357 1.647 peak 586 weight 1.00000E+00 volume 1.89136E+05 ppm1 3.768 ppm2 4.978
ASSI { 446} (resid 71 and name HG2#) (resid 70 and name HA) 3.023 0.827 2.407 peak 446 weight 1.00000E+00 volume 2.19310E+04 ppm1 4.443 ppm2 1.219
ASSI { 588} (resid 71 and name HA) (resid 71 and name HB) 2.069 0.269 0.621 peak 588 weight 1.00000E+00 volume 2.15581E+05 ppm1 3.767 ppm2 4.483
ASSI { 599} (resid 71 and name HB) (resid 71 and name HG2#) 2.003 0.203 2.101 peak 599 weight 1.00000E+00 volume 2.84793E+05 ppm1 4.466 ppm2 1.225
ASSI { 597} (resid 71 and name HA) (resid 71 and name HG2#) 2.096 0.296 2.129 peak 597 weight 1.00000E+00 volume 2.28249E+05 ppm1 3.767 ppm2 1.221
ASSI { 602} (resid 71 and name HA) (resid 73 and name HA2) 2.697 0.729 0.809 peak 602 weight 1.00000E+00 volume 4.59069E+05 ppm1 3.767 ppm2 3.558
OR    {  602}   (resid  71  and  name  HA)    (resid  46  and  name  HA2)
ASSI { 85} (resid 72 and name HG2#) (resid 25 and name HA2) 2.314 0.514 2.0 peak 85 weight 1.00000E+00 volume 8.49947E+04 ppm1 3.382 ppm2 0.970
ASSI { 86} (resid 72 and name HG2#) (resid 25 and name HA1) 2.554 0.686 2.0 peak 86 weight 1.00000E+00 volume 5.16725E+04 ppm1 4.357 ppm2 0.982
!increased bound
ASSI { 678} (resid 72 and name HG1#) (resid 25 and name HA2) 2.278 0.478 2.5 peak 678 weight 1.00000E+00 volume 1.78566E+05 ppm1 1.111 ppm2 3.393
ASSI { 681} (resid 72 and name HG1#) (resid 25 and name HA1) 2.359 0.559 1.708 peak 681 weight 1.00000E+00 volume 1.02520E+06 ppm1 1.111 ppm2 4.394
ASSI { 513} (resid 72 and name HB) (resid 40 and name HB1) 2.835 0.771 1.851 peak 513 weight 1.00000E+00 volume 3.39998E+05 ppm1 3.577 ppm2 2.062
ASSI { 518} (resid 72 and name HG1#) (resid 40 and name HB2) 2.498 0.669 2.749 peak 518 weight 1.00000E+00 volume 5.81167E+04 ppm1 3.661 ppm2 1.134
ASSI { 520} (resid 72 and name HG2#) (resid 40 and name HB1) 3.191 0.877 2.957 peak 520 weight 1.00000E+00 volume 1.67341E+05 ppm1 3.581 ppm2 0.998
OR    {  520}   (resid  40  and  name  HB1)   (resid  27  and  name  HB1)
ASSI { 521} (resid 72 and name HG2#) (resid 40 and name HB2) 3.342 0.923 3.003 peak 521 weight 1.00000E+00 volume 1.26824E+05 ppm1 3.658 ppm2 0.998
ASSI { 523} (resid 72 and name HG1#) (resid 40 and name HA) 2.511 0.673 1.753 peak 523 weight 1.00000E+00 volume 7.05245E+05 ppm1 5.538 ppm2 1.127
ASSI { 524} (resid 72 and name HG2#) (resid 40 and name HA) 3.018 0.825 1.905 peak 524 weight 1.00000E+00 volume 3.28702E+04 ppm1 5.538 ppm2 0.987
OR    {  524}   (resid  40  and  name  HA)    (resid  27  and  name  HB1)
ASSI { 512} (resid 72 and name HB) (resid 40 and name HB2) 2.646 0.714 1.794 peak 512 weight 1.00000E+00 volume 2.85257E+05 ppm1 3.660 ppm2 2.029
ASSI { 670} (resid 72 and name HG2#) (resid 40 and name HB2) 2.510 0.673 2.753 peak 670 weight 1.00000E+00 volume 7.06924E+05 ppm1 0.965 ppm2 3.624
OR    {  670}   (resid  72  and  name  HG2#)  (resid  40  and  name  HB1)
ASSI { 311} (resid 72 and name HG1#) (resid 68 and name HA) 2.934 0.8 1.88 peak 311 weight 1.00000E+00 volume 1.01149E+04 ppm1 4.148 ppm2 1.112
ASSI { 312} (resid 72 and name HG2#) (resid 68 and name HA) 2.516 0.675 1.755 peak 312 weight 1.00000E+00 volume 6.95934E+05 ppm1 4.148 ppm2 0.979
ASSI { 319} (resid 72 and name HG1#) (resid 68 and name HG1) 2.804 0.761 2.841 peak 319 weight 1.00000E+00 volume 3.63231E+05 ppm1 2.251 ppm2 1.110
ASSI { 320} (resid 72 and name HG2#) (resid 68 and name HG1) 2.922 0.797 2.877 peak 320 weight 1.00000E+00 volume 2.83680E+05 ppm1 2.251 ppm2 0.960
ASSI { 321} (resid 72 and name HG2#) (resid 68 and name HG2) 3.046 0.834 2.914 peak 321 weight 1.00000E+00 volume 1.73774E+04 ppm1 2.891 ppm2 0.960
ASSI { 322} (resid 72 and name HG1#) (resid 68 and name HG2) 2.937 0.801 2.881 peak 322 weight 1.00000E+00 volume 2.17528E+04 ppm1 2.888 ppm2 1.117
!resid 72 and name HG1#
ASSI { 1716} (resid 52 and name HG1) (resid 68 and name HB1) 2.852 0.776 2.856 peak 1716 weight 1.00000E+00 volume 2.69411E+04 ppm1 2.423 ppm2 1.113
ASSI { 598} (resid 72 and name HG2#) (resid 71 and name HA) 2.911 0.793 1.873 peak 598 weight 1.00000E+00 volume 3.35543E+04 ppm1 3.767 ppm2 0.986
ASSI { 658} (resid 72 and name HG2#) (resid 72 and name HB) 1.974 0.174 1.092 peak 658 weight 1.00000E+00 volume 2.01671E+05 ppm1 2.021 ppm2 0.997
ASSI { 663} (resid 72 and name HA) (resid 72 and name HB) 2.351 0.551 0.705 peak 663 weight 1.00000E+00 volume 1.14656E+05 ppm1 2.023 ppm2 3.906
ASSI { 665} (resid 72 and name HG2#) (resid 72 and name HA) 2.040 0.24 1.112 peak 665 weight 1.00000E+00 volume 2.44877E+06 ppm1 0.968 ppm2 3.923
ASSI { 657} (resid 72 and name HG1#) (resid 72 and name HB) 1.929 0.129 1.579 peak 657 weight 1.00000E+00 volume 1.45033E+05 ppm1 2.021 ppm2 1.160
ASSI { 680} (resid 72 and name HG1#) (resid 72 and name HA) 1.804 0.004 1.541 peak 680 weight 1.00000E+00 volume 5.13432E+06 ppm1 1.110 ppm2 3.916
ASSI { 22} (resid 72 and name HG1#) (resid 73 and name HA1) 3.532 0.979 2.059 peak 22 weight 1.00000E+00 volume 9.10748E+04 ppm1 3.817 ppm2 1.102
!increase bound 1A!
ASSI { 679} (resid 72 and name HG1#) (resid 73 and name HA2) 1.983 0.183 2.595 peak 679 weight 1.00000E+00 volume 2.90203E+06 ppm1 1.111 ppm2 3.664
ASSI { 676} (resid 72 and name HG1#) (resid 75 and name HG12) 3.268 0.9 2.98 peak 676 weight 1.00000E+00 volume 8.19747E+04 ppm1 1.111 ppm2 1.743
ASSI { 1346} (resid 72 and name HA) (resid 75 and name HB) 2.519 0.676 0.756 peak 1346 weight 1.00000E+00 volume 4.74540E+04 ppm1 1.396 ppm2 3.920
ASSI { 422} (resid 72 and name HG1#) (resid 76 and name HB2) 2.530 0.679 2.759 peak 422 weight 1.00000E+00 volume 6.74362E+05 ppm1 3.485 ppm2 1.103
OR    {  422}   (resid  76  and  name  HB2)   (resid  27  and  name  HG)
ASSI { 20} (resid 73 and name HA2) (resid 73 and name HA1) 3.274 1.474 0.982 peak 20 weight 1.00000E+00 volume 2.76473E+04 ppm1 3.818 ppm2 3.568
ASSI { 434} (resid 74 and name HB2) (resid 70 and name HB2) 3.133 0.86 1.94 peak 434 weight 1.00000E+00 volume 1.86854E+05 ppm1 4.054 ppm2 2.969
ASSI { 435} (resid 74 and name HB2) (resid 70 and name HB1) 3.333 0.92 3 peak 435 weight 1.00000E+00 volume 1.28954E+05 ppm1 4.259 ppm2 2.981
ASSI { 596} (resid 74 and name HB2) (resid 71 and name HB) 3.285 0.906 1.986 peak 596 weight 1.00000E+00 volume 9.57933E+03 ppm1 4.467 ppm2 2.994
ASSI { 148} (resid 74 and name HB2) (resid 74 and name HA) 2.279 0.479 1.684 peak 148 weight 1.00000E+00 volume 4.48605E+04 ppm1 4.654 ppm2 2.972
ASSI { 1389} (resid 75 and name HG2#) (resid 64 and name HE#) 2.279 0.479 4.584 peak 1389 weight 1.00000E+00 volume 1.26236E+06 ppm1 0.231 ppm2 6.797
ASSI { 1403} (resid 75 and name HD1#) (resid 66 and name HA) 3.084 0.845 2.425 peak 1403 weight 1.00000E+00 volume 3.11111E+04 ppm1 0.788 ppm2 4.981
ASSI { 1388} (resid 75 and name HG2#) (resid 66 and name HA) 3.206 0.882 2.462 peak 1388 weight 1.00000E+00 volume 1.31016E+04 ppm1 0.235 ppm2 4.979
ASSI { 1382} (resid 75 and name HG2#) (resid 66 and name HB2) 2.674 0.722 3.302 peak 1382 weight 1.00000E+00 volume 4.82891E+05 ppm1 0.234 ppm2 2.974
ASSI { 1383} (resid 75 and name HG2#) (resid 66 and name HB1) 2.766 0.75 3.33 peak 1383 weight 1.00000E+00 volume 3.94317E+05 ppm1 0.233 ppm2 3.210
ASSI { 451} (resid 75 and name HG11) (resid 70 and name HB2) 2.823 0.767 2.847 peak 451 weight 1.00000E+00 volume 3.95117E+04 ppm1 4.050 ppm2 0.986
OR    {  451}   (resid  70  and  name  HB2)   (resid  47  and  name  HD1#)
ASSI { 452} (resid 75 and name HG11) (resid 70 and name HB1) 3.104 0.851 2.931 peak 452 weight 1.00000E+00 volume 1.97685E+05 ppm1 4.255 ppm2 0.990
OR    {  452}   (resid  72  and  name  HG2#)  (resid  70  and  name  HB1)
OR    {  452}   (resid  70  and  name  HB1)   (resid  47  and  name  HD1#)
ASSI { 453} (resid 75 and name HD1#) (resid 70 and name HB1) 2.257 0.457 3.177 peak 453 weight 1.00000E+00 volume 6.91959E+05 ppm1 4.256 ppm2 0.808
ASSI { 454} (resid 75 and name HD1#) (resid 70 and name HB2) 2.533 0.68 3.26 peak 454 weight 1.00000E+00 volume 6.19483E+05 ppm1 4.053 ppm2 0.790
ASSI { 1363} (resid 75 and name HG12) (resid 70 and name HB2) 2.902 0.791 2.871 peak 1363 weight 1.00000E+00 volume 2.51766E+04 ppm1 1.733 ppm2 4.088
ASSI { 1364} (resid 75 and name HG12) (resid 70 and name HB1) 3.146 0.864 2.944 peak 1364 weight 1.00000E+00 volume 1.82259E+05 ppm1 1.733 ppm2 4.279
ASSI { 1370} (resid 75 and name HG11) (resid 70 and name HB2) 3.256 0.897 2.977 peak 1370 weight 1.00000E+00 volume 1.61982E+04 ppm1 0.979 ppm2 4.092
ASSI { 1371} (resid 75 and name HG11) (resid 70 and name HB1) 3.338 0.921 3.001 peak 1371 weight 1.00000E+00 volume 1.47178E+04 ppm1 0.979 ppm2 4.271
ASSI { 1387} (resid 75 and name HG2#) (resid 70 and name HB1) 3.421 0.946 3.526 peak 1387 weight 1.00000E+00 volume 1.52173E+04 ppm1 0.234 ppm2 4.278
ASSI { 448} (resid 75 and name HD1#) (resid 70 and name HA) 2.987 0.816 2.396 peak 448 weight 1.00000E+00 volume 2.48891E+05 ppm1 4.446 ppm2 0.810
ASSI { 600} (resid 75 and name HD1#) (resid 71 and name HA) 4.018 1.125 2.482 peak 600 weight 1.00000E+00 volume 1.27757E+04 ppm1 3.766 ppm2 0.810
ASSI { 1711} (resid 75 and name HG12) (resid 71 and name HA) 3.650 1.015 2.095 peak 1711 weight 1.00000E+00 volume 1.29842E+04 ppm1 3.767 ppm2 1.748
ASSI { 1362} (resid 75 and name HG12) (resid 72 and name HA) 3.227 0.888 1.968 peak 1362 weight 1.00000E+00 volume 2.24974E+04 ppm1 1.731 ppm2 3.931
ASSI { 1369} (resid 75 and name HG11) (resid 72 and name HA) 3.499 0.97 2.05 peak 1369 weight 1.00000E+00 volume 9.62176E+04 ppm1 0.975 ppm2 3.930
ASSI { 1386} (resid 75 and name HG2#) (resid 72 and name HA) 2.981 0.814 1.894 peak 1386 weight 1.00000E+00 volume 3.62050E+04 ppm1 0.233 ppm2 3.921
ASSI { 1399} (resid 75 and name HD1#) (resid 72 and name HA) 2.209 0.409 2.163 peak 1399 weight 1.00000E+00 volume 2.23965E+05 ppm1 0.788 ppm2 3.917
ASSI { 1340} (resid 75 and name HG12) (resid 75 and name HA) 2.577 0.693 1.773 peak 1340 weight 1.00000E+00 volume 6.63113E+04 ppm1 3.757 ppm2 1.749
ASSI { 1341} (resid 75 and name HB) (resid 75 and name HA) 2.701 0.73 0.810 peak 1341 weight 1.00000E+00 volume 6.05033E+04 ppm1 3.757 ppm2 1.400
ASSI { 1343} (resid 75 and name HD1#) (resid 75 and name HA) 2.760 0.748 2.328 peak 1343 weight 1.00000E+00 volume 4.97175E+04 ppm1 3.757 ppm2 0.805
ASSI { 1344} (resid 75 and name HG2#) (resid 75 and name HA) 2.256 0.456 2.177 peak 1344 weight 1.00000E+00 volume 1.34414E+05 ppm1 3.758 ppm2 0.249
ASSI { 1349} (resid 75 and name HG11) (resid 75 and name HB) 2.755 0.746 1.826 peak 1349 weight 1.00000E+00 volume 4.04418E+05 ppm1 1.397 ppm2 0.990
ASSI { 1350} (resid 75 and name HD1#) (resid 75 and name HB) 2.170 0.37 2.151 peak 1350 weight 1.00000E+00 volume 5.39675E+05 ppm1 1.398 ppm2 0.818
ASSI { 1355} (resid 75 and name HG12) (resid 75 and name HG11) 2.058 0.258 2.617 peak 1355 weight 1.00000E+00 volume 2.09428E+05 ppm1 0.977 ppm2 1.777
ASSI { 1357} (resid 75 and name HD1#) (resid 75 and name HG12) 1.945 0.145 3.083 peak 1357 weight 1.00000E+00 volume 1.33245E+05 ppm1 1.734 ppm2 0.809
ASSI { 1358} (resid 75 and name HG2#) (resid 75 and name HG12) 2.404 0.604 3.221 peak 1358 weight 1.00000E+00 volume 3.77720E+04 ppm1 1.733 ppm2 0.252
ASSI { 1348} (resid 75 and name HG12) (resid 75 and name HB) 2.585 0.696 1.776 peak 1348 weight 1.00000E+00 volume 2.03619E+04 ppm1 1.397 ppm2 1.755
ASSI { 1342} (resid 75 and name HG11) (resid 75 and name HA) 2.421 0.621 1.726 peak 1342 weight 1.00000E+00 volume 8.88922E+04 ppm1 3.756 ppm2 0.994
ASSI { 1373} (resid 75 and name HD1#) (resid 75 and name HG11) 2.219 0.419 3.166 peak 1373 weight 1.00000E+00 volume 1.17231E+05 ppm1 0.977 ppm2 0.812
ASSI { 1377} (resid 75 and name HG2#) (resid 75 and name HD1#) 1.949 0.149 3.585 peak 1377 weight 1.00000E+00 volume 2.69789E+05 ppm1 0.233 ppm2 0.809
ASSI { 1374} (resid 75 and name HG2#) (resid 75 and name HG11) 2.201 0.401 3.16 peak 1374 weight 1.00000E+00 volume 4.59638E+05 ppm1 0.977 ppm2 0.252
ASSI { 1352} (resid 75 and name HG2#) (resid 75 and name HB) 2.042 0.242 2.113 peak 1352 weight 1.00000E+00 volume 6.01815E+04 ppm1 1.398 ppm2 0.257
ASSI { 420} (resid 75 and name HB) (resid 76 and name HB1) 3.551 0.985 2.065 peak 420 weight 1.00000E+00 volume 7.32695E+03 ppm1 3.568 ppm2 1.413
ASSI { 421} (resid 75 and name HB) (resid 76 and name HB2) 3.529 0.979 2.059 peak 421 weight 1.00000E+00 volume 7.54754E+03 ppm1 3.485 ppm2 1.413
ASSI { 1384} (resid 75 and name HG2#) (resid 76 and name HB1) 2.763 0.749 3.329 peak 1384 weight 1.00000E+00 volume 3.28977E+04 ppm1 0.233 ppm2 3.533
ASSI { 255} (resid 75 and name HA) (resid 78 and name HB2) 2.589 0.697 1.777 peak 255 weight 1.00000E+00 volume 2.70955E+04 ppm1 3.085 ppm2 3.761
ASSI { 423} (resid 76 and name HB1) (resid 27 and name HG) 2.479 0.664 1.744 peak 423 weight 1.00000E+00 volume 8.56703E+04 ppm1 3.570 ppm2 1.106
OR    {  423}   (resid  72  and  name  HG1#)  (resid  76  and  name  HB1)
ASSI { 108} (resid 76 and name HB1) (resid 38 and name HB#) 1.899 0.099 3.07 peak 108 weight 1.00000E+00 volume 3.77131E+06 ppm1 1.083 ppm2 3.519
ASSI { 636} (resid 76 and name HB1) (resid 39 and name HB) 4.356 1.227 1.644 peak 636 weight 1.00000E+00 volume 2.58769E+04 ppm1 4.038 ppm2 3.566
OR    {  636}   (resid  28  and  name  HB2)   (resid  39  and  name  HB)
OR    {  636}   (resid  40  and  name  HB1)   (resid  39  and  name  HB)
OR    {  636}   (resid  73  and  name  HA2)   (resid  39  and  name  HB)
ASSI { 416} (resid 76 and name HB2) (resid 76 and name HB1) 1.800 0.00 2.516 peak 416 weight 1.00000E+00 volume 9.18613E+06 ppm1 3.487 ppm2 3.596
ASSI { 1685} (resid 76 and name HB2) (resid 79 and name HB) 2.590 0.697 1.777 peak 1685 weight 1.00000E+00 volume 5.85852E+05 ppm1 1.399 ppm2 3.521
ASSI { 142} (resid 77 and name HB2) (resid 77 and name HA) 2.010 0.21 1.603 peak 142 weight 1.00000E+00 volume 1.53085E+06 ppm1 2.839 ppm2 4.428
ASSI { 143} (resid 77 and name HB1) (resid 77 and name HA) 2.050 0.25 1.615 peak 143 weight 1.00000E+00 volume 1.43773E+06 ppm1 2.919 ppm2 4.428
ASSI { 1580} (resid 77 and name HB2) (resid 77 and name HB1) 1.800 0.00 2.516 peak 1580 weight 1.00000E+00 volume 4.15814E+07 ppm1 2.835 ppm2 2.926
ASSI { 254} (resid 78 and name HB1) (resid 75 and name HA) 3.114 0.854 1.934 peak 254 weight 1.00000E+00 volume 1.82497E+05 ppm1 2.222 ppm2 3.767
ASSI { 243} (resid 78 and name HB1) (resid 78 and name HA) 2.423 0.623 1.727 peak 243 weight 1.00000E+00 volume 8.74173E+05 ppm1 4.142 ppm2 2.238
ASSI { 248} (resid 78 and name HA) (resid 78 and name HB2) 2.571 0.691 1.771 peak 248 weight 1.00000E+00 volume 4.50465E+04 ppm1 4.141 ppm2 3.094
ASSI { 256} (resid 78 and name HB1) (resid 78 and name HB2) 1.951 0.151 2.585 peak 256 weight 1.00000E+00 volume 2.96901E+05 ppm1 2.227 ppm2 3.107
ASSI { 244} (resid 78 and name HA) (resid 81 and name HB1) 2.492 0.668 1.748 peak 244 weight 1.00000E+00 volume 7.37720E+05 ppm1 4.146 ppm2 1.910
ASSI { 245} (resid 78 and name HA) (resid 81 and name HD2) 2.859 0.778 1.858 peak 245 weight 1.00000E+00 volume 3.23803E+05 ppm1 4.145 ppm2 1.681
ASSI { 247} (resid 78 and name HA) (resid 82 and name HG) 3.665 1.02 1.100 peak 247 weight 1.00000E+00 volume 6.11642E+03 ppm1 4.143 ppm2 0.626
ASSI { 258} (resid 78 and name HB1) (resid 82 and name HG) 3.319 0.916 1.996 peak 258 weight 1.00000E+00 volume 1.32226E+05 ppm1 2.227 ppm2 0.629
ASSI { 770} (resid 78 and name HB1) (resid 82 and name HG) 2.654 0.716 1.796 peak 770 weight 1.00000E+00 volume 5.05707E+05 ppm1 0.612 ppm2 2.209
OR    {  770}   (resid  82  and  name  HG)    (resid  63  and  name  HB)
ASSI { 1167} (resid 79 and name HG11) (resid 36 and name HD1#) 2.969 0.811 4.291 peak 1167 weight 1.00000E+00 volume 2.57718E+05 ppm1 1.525 ppm2 0.928
OR    {  1167}  (resid  79  and  name  HG11)  (resid  65  and  name  HG2#)
ASSI { 1170} (resid 79 and name HG12) (resid 36 and name HD1#) 2.933 0.8 4.28 peak 1170 weight 1.00000E+00 volume 2.77428E+05 ppm1 0.232 ppm2 0.938
ASSI { 1687} (resid 79 and name HG2#) (resid 36 and name HD2#) 2.114 0.314 4.534 peak 1687 weight 1.00000E+00 volume 2.26437E+05 ppm1 0.500 ppm2 1.109
ASSI { 1690} (resid 79 and name HG2#) (resid 36 and name HD1#) 2.419 0.619 4.626 peak 1690 weight 1.00000E+00 volume 1.07842E+05 ppm1 0.504 ppm2 0.913
ASSI { 1701} (resid 79 and name HD1#) (resid 36 and name HG) 1.981 0.181 2.994 peak 1701 weight 1.00000E+00 volume 3.31682E+05 ppm1 0.370 ppm2 1.550
ASSI { 1703} (resid 79 and name HD1#) (resid 36 and name HD2#) 2.253 0.453 5.476 peak 1703 weight 1.00000E+00 volume 1.34989E+06 ppm1 0.372 ppm2 1.124
ASSI { 1704} (resid 79 and name HD1#) (resid 36 and name HD1#) 2.124 0.324 3.037 peak 1704 weight 1.00000E+00 volume 1.92329E+06 ppm1 0.374 ppm2 0.929
ASSI { 1698} (resid 79 and name HG2#) (resid 37 and name HA) 2.741 0.742 2.322 peak 1698 weight 1.00000E+00 volume 4.16257E+05 ppm1 0.502 ppm2 4.815
ASSI { 1171} (resid 79 and name HG11) (resid 64 and name HE#) 3.266 0.9 4.38 peak 1171 weight 1.00000E+00 volume 1.45615E+05 ppm1 1.518 ppm2 6.793
ASSI { 1172} (resid 79 and name HG11) (resid 64 and name HD#) 3.544 0.983 4.463 peak 1172 weight 1.00000E+00 volume 7.24833E+03 ppm1 1.518 ppm2 7.048
ASSI { 1173} (resid 79 and name HG12) (resid 64 and name HE#) 3.349 0.925 4.405 peak 1173 weight 1.00000E+00 volume 1.31625E+04 ppm1 0.239 ppm2 6.803
ASSI { 1174} (resid 79 and name HG12) (resid 64 and name HD#) 3.546 0.984 4.464 peak 1174 weight 1.00000E+00 volume 9.32971E+03 ppm1 0.237 ppm2 7.026
ASSI { 1196} (resid 79 and name HD1#) (resid 64 and name HE#) 2.557 0.687 4.667 peak 1196 weight 1.00000E+00 volume 7.44135E+04 ppm1 0.371 ppm2 6.806
ASSI { 1197} (resid 79 and name HD1#) (resid 64 and name HD#) 2.755 0.746 4.726 peak 1197 weight 1.00000E+00 volume 3.67682E+04 ppm1 0.369 ppm2 7.003
ASSI { 1353} (resid 79 and name HD1#) (resid 75 and name HB) 2.553 0.686 2.266 peak 1353 weight 1.00000E+00 volume 6.38627E+05 ppm1 1.398 ppm2 0.393
ASSI { 1194} (resid 79 and name HD1#) (resid 75 and name HA) 3.324 0.917 2.497 peak 1194 weight 1.00000E+00 volume 1.47958E+04 ppm1 0.370 ppm2 3.793
ASSI { 1375} (resid 79 and name HD1#) (resid 75 and name HG2#) 2.158 0.358 3.648 peak 1375 weight 1.00000E+00 volume 1.74715E+06 ppm1 0.232 ppm2 0.396
ASSI { 426} (resid 79 and name HD1#) (resid 76 and name HB1) 3.294 0.908 3.488 peak 426 weight 1.00000E+00 volume 9.19952E+03 ppm1 3.567 ppm2 0.372
ASSI { 427} (resid 79 and name HD1#) (resid 76 and name HB2) 2.464 0.659 3.239 peak 427 weight 1.00000E+00 volume 5.58071E+03 ppm1 3.482 ppm2 0.358
ASSI { 1696} (resid 79 and name HG2#) (resid 76 and name HB1) 2.839 0.772 3.352 peak 1696 weight 1.00000E+00 volume 3.37627E+05 ppm1 0.502 ppm2 3.545
ASSI { 1700} (resid 79 and name HG11) (resid 76 and name HB1) 3.454 0.956 3.036 peak 1700 weight 1.00000E+00 volume 4.04604E+03 ppm1 1.526 ppm2 3.534
ASSI { 1158} (resid 79 and name HG11) (resid 79 and name HA) 2.558 0.687 1.767 peak 1158 weight 1.00000E+00 volume 5.20488E+04 ppm1 1.523 ppm2 2.970
ASSI { 1159} (resid 79 and name HG12) (resid 79 and name HA) 2.514 0.674 1.754 peak 1159 weight 1.00000E+00 volume 3.58723E+05 ppm1 0.246 ppm2 2.970
ASSI { 1162} (resid 79 and name HG12) (resid 79 and name HG2#) 2.695 0.729 3.309 peak 1162 weight 1.00000E+00 volume 2.91955E+04 ppm1 0.237 ppm2 0.524
ASSI { 1163} (resid 79 and name HD1#) (resid 79 and name HG12) 2.283 0.483 3.185 peak 1163 weight 1.00000E+00 volume 1.24667E+05 ppm1 0.240 ppm2 0.401
ASSI { 1164} (resid 79 and name HG12) (resid 79 and name HG11) 2.040 0.24 2.612 peak 1164 weight 1.00000E+00 volume 2.06066E+05 ppm1 1.527 ppm2 0.284
ASSI { 1165} (resid 79 and name HD1#) (resid 79 and name HG11) 2.277 0.477 3.183 peak 1165 weight 1.00000E+00 volume 1.26414E+05 ppm1 1.523 ppm2 0.400
ASSI { 1166} (resid 79 and name HG11) (resid 79 and name HG2#) 2.499 0.67 3.25 peak 1166 weight 1.00000E+00 volume 2.87851E+04 ppm1 1.527 ppm2 0.509
ASSI { 1168} (resid 79 and name HG11) (resid 79 and name HB) 2.827 0.768 1.848 peak 1168 weight 1.00000E+00 volume 3.46470E+05 ppm1 1.527 ppm2 1.412
ASSI { 1169} (resid 79 and name HG12) (resid 79 and name HB) 2.821 0.766 1.846 peak 1169 weight 1.00000E+00 volume 2.65806E+05 ppm1 0.239 ppm2 1.419
ASSI { 1192} (resid 79 and name HD1#) (resid 79 and name HA) 2.584 0.695 2.275 peak 1192 weight 1.00000E+00 volume 5.93815E+05 ppm1 0.370 ppm2 2.978
ASSI { 1676} (resid 79 and name HA) (resid 79 and name HB) 2.858 0.777 0.857 peak 1676 weight 1.00000E+00 volume 2.94444E+04 ppm1 2.933 ppm2 1.398
ASSI { 1677} (resid 79 and name HA) (resid 79 and name HG2#) 2.317 0.517 2.195 peak 1677 weight 1.00000E+00 volume 8.43085E+04 ppm1 2.934 ppm2 0.531
ASSI { 1684} (resid 79 and name HG2#) (resid 79 and name HB) 1.925 0.125 2.077 peak 1684 weight 1.00000E+00 volume 1.29351E+06 ppm1 1.398 ppm2 0.522
ASSI { 1681} (resid 79 and name HD1#) (resid 79 and name HB) 2.182 0.382 2.155 peak 1681 weight 1.00000E+00 volume 5.68657E+04 ppm1 1.397 ppm2 0.409
ASSI { 139} (resid 79 and name HG2#) (resid 80 and name HA) 2.872 0.782 2.362 peak 139 weight 1.00000E+00 volume 3.14942E+05 ppm1 4.608 ppm2 0.530
ASSI { 761} (resid 79 and name HA) (resid 82 and name HB2) 3.068 0.841 1.921 peak 761 weight 1.00000E+00 volume 1.29641E+04 ppm1 1.360 ppm2 2.959
ASSI { 768} (resid 79 and name HA) (resid 82 and name HG) 2.584 0.695 0.775 peak 768 weight 1.00000E+00 volume 4.34981E+04 ppm1 0.611 ppm2 2.967
ASSI { 138} (resid 80 and name HA) (resid 36 and name HB2) 3.092 0.848 1.928 peak 138 weight 1.00000E+00 volume 2.02060E+05 ppm1 4.608 ppm2 1.583
ASSI { 137} (resid 80 and name HA) (resid 80 and name HB1) 2.227 0.427 1.668 peak 137 weight 1.00000E+00 volume 1.31147E+05 ppm1 4.610 ppm2 2.820
ASSI { 140} (resid 80 and name HA) (resid 80 and name HB2) 2.111 0.311 1.633 peak 140 weight 1.00000E+00 volume 1.99388E+06 ppm1 2.956 ppm2 4.616
ASSI { 1126} (resid 81 and name HB1) (resid 81 and name HA) 2.079 0.279 1.624 peak 1126 weight 1.00000E+00 volume 8.66107E+05 ppm1 1.902 ppm2 4.156
ASSI { 1132} (resid 81 and name HB2) (resid 81 and name HB1) 1.900 0.1 2.57 peak 1132 weight 1.00000E+00 volume 3.75170E+06 ppm1 1.907 ppm2 1.751
ASSI { 1137} (resid 81 and name HB2) (resid 81 and name HD2) 1.800 0.00 2.516 peak 1137 weight 1.00000E+00 volume 8.11222E+06 ppm1 1.740 ppm2 1.687
ASSI { 1138} (resid 81 and name HB1) (resid 81 and name HD2) 2.118 0.318 2.635 peak 1138 weight 1.00000E+00 volume 1.95682E+06 ppm1 1.911 ppm2 1.681
ASSI { 1145} (resid 81 and name HG1) (resid 81 and name HA) 2.857 0.777 1.857 peak 1145 weight 1.00000E+00 volume 3.24921E+05 ppm1 1.508 ppm2 4.195
ASSI { 1147} (resid 81 and name HG2) (resid 81 and name HA) 2.918 0.795 1.875 peak 1147 weight 1.00000E+00 volume 2.86491E+05 ppm1 1.446 ppm2 4.195
ASSI { 1148} (resid 81 and name HD2) (resid 81 and name HA) 2.941 0.802 1.882 peak 1148 weight 1.00000E+00 volume 2.37700E+04 ppm1 1.706 ppm2 4.183
ASSI { 2035} (resid 81 and name HG2) (resid 81 and name HA) 2.631 0.709 1.789 peak 2035 weight 1.00000E+00 volume 5.32374E+05 ppm1 4.169 ppm2 1.474
OR    {  2035}  (resid  81  and  name  HA)    (resid  85  and  name  HG2)
ASSI { 1123} (resid 81 and name HE2) (resid 84 and name HD1#) 2.773 0.752 3.332 peak 1123 weight 1.00000E+00 volume 3.89202E+04 ppm1 0.750 ppm2 2.959
OR    {  1123}  (resid  84  and  name  HD1#)  (resid  80  and  name  HB2)
OR    {  1123}  (resid  79  and  name  HA)    (resid  84  and  name  HD1#)
ASSI { 783} (resid 82 and name HD1#) (resid 63 and name HB) 3.294 0.908 3.388 peak 783 weight 1.00000E+00 volume 1.38403E+05 ppm1 0.847 ppm2 2.237
ASSI { 259} (resid 82 and name HG) (resid 78 and name HB2) 3.436 0.951 2.031 peak 259 weight 1.00000E+00 volume 1.07390E+05 ppm1 3.083 ppm2 0.617
ASSI { 2039} (resid 82 and name HD1#) (resid 78 and name HA) 3.863 1.079 3.537 peak 2039 weight 1.00000E+00 volume 5.31479E+04 ppm1 4.145 ppm2 0.877
ASSI { 760} (resid 82 and name HB1) (resid 79 and name HA) 2.806 0.762 1.842 peak 760 weight 1.00000E+00 volume 1.32962E+04 ppm1 1.750 ppm2 2.981
ASSI { 1679} (resid 82 and name HD1#) (resid 79 and name HA) 2.903 0.791 3.271 peak 1679 weight 1.00000E+00 volume 2.63486E+04 ppm1 2.938 ppm2 0.795
ASSI { 1691} (resid 82 and name HD1#) (resid 79 and name HG2#) 2.150 0.35 4.545 peak 1691 weight 1.00000E+00 volume 2.42308E+05 ppm1 0.506 ppm2 0.807
OR    {  1691}  (resid  79  and  name  HG2#)  (resid  56  and  name  HG2#)
ASSI { 1694} (resid 82 and name HB1) (resid 79 and name HG2#) 2.634 0.71 3.29 peak 1694 weight 1.00000E+00 volume 5.29239E+05 ppm1 0.502 ppm2 1.791
ASSI { 773} (resid 82 and name HG) (resid 80 and name HA) 3.088 0.846 0.926 peak 773 weight 1.00000E+00 volume 1.16554E+04 ppm1 0.617 ppm2 4.680
ASSI { 784} (resid 82 and name HD1#) (resid 81 and name HE2) 3.123 0.857 4.337 peak 784 weight 1.00000E+00 volume 1.43177E+04 ppm1 0.851 ppm2 2.969
ASSI { 756} (resid 82 and name HD1#) (resid 82 and name HA) 2.077 0.277 3.923 peak 756 weight 1.00000E+00 volume 2.95650E+05 ppm1 4.047 ppm2 0.876
OR    {  756}   (resid  82  and  name  HA)    (resid  63  and  name  HG1#)
ASSI { 757} (resid 82 and name HG) (resid 82 and name HA) 2.955 0.806 0.886 peak 757 weight 1.00000E+00 volume 1.99321E+04 ppm1 4.050 ppm2 0.636
ASSI { 755} (resid 82 and name HB2) (resid 82 and name HA) 2.330 0.53 1.699 peak 755 weight 1.00000E+00 volume 1.36825E+05 ppm1 4.049 ppm2 1.384
ASSI { 754} (resid 82 and name HB1) (resid 82 and name HA) 2.236 0.436 1.671 peak 754 weight 1.00000E+00 volume 1.64892E+05 ppm1 4.047 ppm2 1.753
ASSI { 762} (resid 82 and name HB1) (resid 82 and name HB2) 1.970 0.17 2.591 peak 762 weight 1.00000E+00 volume 3.02727E+06 ppm1 1.360 ppm2 1.734
ASSI { 765} (resid 82 and name HB1) (resid 82 and name HG) 1.975 0.175 1.593 peak 765 weight 1.00000E+00 volume 2.70310E+05 ppm1 1.744 ppm2 0.633
ASSI { 766} (resid 82 and name HB2) (resid 82 and name HG) 2.402 0.602 1.721 peak 766 weight 1.00000E+00 volume 5.83002E+05 ppm1 1.361 ppm2 0.628
ASSI { 779} (resid 82 and name HD1#) (resid 82 and name HG) 2.051 0.251 3.915 peak 779 weight 1.00000E+00 volume 9.91059E+04 ppm1 0.612 ppm2 0.880
ASSI { 767} (resid 82 and name HD1#) (resid 82 and name HB2) 2.412 0.612 5.024 peak 767 weight 1.00000E+00 volume 7.79719E+05 ppm1 1.359 ppm2 0.867
ASSI { 764} (resid 82 and name HD1#) (resid 82 and name HB1) 1.891 0.091 4.867 peak 764 weight 1.00000E+00 volume 2.68283E+05 ppm1 1.744 ppm2 0.854
ASSI { 786} (resid 82 and name HD1#) (resid 82 and name HA) 1.937 0.137 3.881 peak 786 weight 1.00000E+00 volume 4.04103E+05 ppm1 0.850 ppm2 4.068
ASSI { 1104} (resid 82 and name HB2) (resid 84 and name HA) 3.433 0.95 2.03 peak 1104 weight 1.00000E+00 volume 1.36438E+04 ppm1 3.648 ppm2 1.400
ASSI { 1119} (resid 82 and name HB2) (resid 84 and name HD1#) 2.725 0.738 4.218 peak 1119 weight 1.00000E+00 volume 4.31268E+05 ppm1 0.748 ppm2 1.381
ASSI { 1578} (resid 83 and name HA) (resid 83 and name HB1) 2.358 0.558 1.707 peak 1578 weight 1.00000E+00 volume 8.21689E+04 ppm1 4.358 ppm2 2.994
ASSI { 1579} (resid 83 and name HA) (resid 83 and name HB2) 2.391 0.591 1.717 peak 1579 weight 1.00000E+00 volume 9.45504E+05 ppm1 4.353 ppm2 2.571
ASSI { 414} (resid 84 and name HG12) (resid 35 and name HG2) 3.145 0.863 2.943 peak 414 weight 1.00000E+00 volume 1.82716E+05 ppm1 2.286 ppm2 1.003
ASSI { 415} (resid 84 and name HG12) (resid 35 and name HG1) 3.127 0.858 2.938 peak 415 weight 1.00000E+00 volume 1.88851E+05 ppm1 2.124 ppm2 1.003
!increased bound
ASSI { 2085} (resid 84 and name HB) (resid 36 and name HG) 2.605 0.702 1.782 peak 2085 weight 1.00000E+00 volume 3.55684E+04 ppm1 1.532 ppm2 1.811
ASSI { 2092} (resid 84 and name HD1#) (resid 36 and name HD1#) 3.585 0.996 3.476 peak 2092 weight 1.00000E+00 volume 2.53786E+05 ppm1 0.904 ppm2 0.735
OR    {  2092}  (resid  36  and  name  HD1#)  (resid  29  and  name  HD2#)
ASSI { 1787} (resid 84 and name HG11) (resid 58 and name HG1#) 2.967 0.81 2.89 peak 1787 weight 1.00000E+00 volume 2.58894E+05 ppm1 0.918 ppm2 1.564
OR    {  1787}  (resid  58  and  name  HG1#)  (resid  89  and  name  HG12)
ASSI { 1102} (resid 84 and name HA) (resid 84 and name HB) 2.767 0.75 0.830 peak 1102 weight 1.00000E+00 volume 2.93784E+04 ppm1 3.648 ppm2 1.769
ASSI { 1103} (resid 84 and name HA) (resid 84 and name HG11) 2.662 0.719 1.799 peak 1103 weight 1.00000E+00 volume 4.96753E+05 ppm1 3.648 ppm2 1.628
ASSI { 1105} (resid 84 and name HA) (resid 84 and name HG12) 2.498 0.669 1.749 peak 1105 weight 1.00000E+00 volume 7.27457E+05 ppm1 3.650 ppm2 0.925
ASSI { 1106} (resid 84 and name HA) (resid 84 and name HD1#) 2.511 0.673 2.253 peak 1106 weight 1.00000E+00 volume 7.04496E+05 ppm1 3.651 ppm2 0.742
ASSI { 1107} (resid 84 and name HG11) (resid 84 and name HB) 2.927 0.798 1.878 peak 1107 weight 1.00000E+00 volume 2.19581E+04 ppm1 1.756 ppm2 1.620
OR    {  1107}  (resid  84  and  name  HB)    (resid  36  and  name  HB2)
ASSI { 1108} (resid 84 and name HG12) (resid 84 and name HB) 2.708 0.732 1.812 peak 1108 weight 1.00000E+00 volume 3.13745E+04 ppm1 1.753 ppm2 0.925
ASSI { 1114} (resid 84 and name HG12) (resid 84 and name HG11) 2.059 0.259 2.618 peak 1114 weight 1.00000E+00 volume 1.70860E+05 ppm1 1.589 ppm2 0.928
ASSI { 1118} (resid 84 and name HD1#) (resid 84 and name HG12) 2.120 0.32 3.136 peak 1118 weight 1.00000E+00 volume 1.94882E+06 ppm1 0.757 ppm2 0.946
ASSI { 1115} (resid 84 and name HD1#) (resid 84 and name HG11) 2.085 0.285 3.125 peak 1115 weight 1.00000E+00 volume 1.20709E+05 ppm1 1.595 ppm2 0.759
ASSI { 1109} (resid 84 and name HD1#) (resid 84 and name HB) 2.124 0.324 2.137 peak 1109 weight 1.00000E+00 volume 1.30373E+05 ppm1 1.756 ppm2 0.754
ASSI { 1113} (resid 84 and name HG11) (resid 85 and name HE1) 2.427 0.627 2.728 peak 1113 weight 1.00000E+00 volume 2.95938E+04 ppm1 1.591 ppm2 2.854
ASSI { 5} (resid 84 and name HG12) (resid 86 and name HA1) 2.966 0.81 1.89 peak 5 weight 1.00000E+00 volume 2.59688E+05 ppm1 4.230 ppm2 0.932
OR    {  5}     (resid  58  and  name  HG2#)  (resid  86  and  name  HA1)
ASSI { 1124} (resid 84 and name HD1#) (resid 86 and name HA2) 3.118 0.856 2.436 peak 1124 weight 1.00000E+00 volume 2.40069E+04 ppm1 0.750 ppm2 3.389
ASSI { 1592} (resid 85 and name HB2) (resid 34 and name HA) 2.576 0.693 1.773 peak 1592 weight 1.00000E+00 volume 6.04664E+05 ppm1 4.532 ppm2 1.700
ASSI { 1655} (resid 85 and name HA) (resid 85 and name HG2) 2.874 0.782 1.862 peak 1655 weight 1.00000E+00 volume 3.13549E+05 ppm1 5.215 ppm2 1.459
ASSI { 1656} (resid 85 and name HA) (resid 85 and name HB2) 2.714 0.734 1.814 peak 1656 weight 1.00000E+00 volume 3.65514E+05 ppm1 5.215 ppm2 1.762
ASSI { 1657} (resid 85 and name HA) (resid 85 and name HB1) 2.695 0.728 1.808 peak 1657 weight 1.00000E+00 volume 4.61517E+05 ppm1 5.211 ppm2 1.935
ASSI { 1662} (resid 85 and name HB2) (resid 85 and name HG2) 4.418 1.245 2.582 peak 1662 weight 1.00000E+00 volume 2.76228E+04 ppm1 1.741 ppm2 1.447
ASSI { 1663} (resid 85 and name HB1) (resid 85 and name HG2) 3.189 0.877 2.957 peak 1663 weight 1.00000E+00 volume 1.76534E+04 ppm1 1.891 ppm2 1.450
ASSI { 7} (resid 85 and name HB2) (resid 86 and name HA2) 3.152 0.866 1.946 peak 7 weight 1.00000E+00 volume 1.33819E+04 ppm1 3.404 ppm2 1.712
ASSI { 6} (resid 86 and name HA1) (resid 84 and name HG2#) 3.045 0.834 2.414 peak 6 weight 1.00000E+00 volume 2.21628E+05 ppm1 4.230 ppm2 0.713
ASSI { 10} (resid 86 and name HA2) (resid 84 and name HG2#) 2.863 0.779 2.359 peak 10 weight 1.00000E+00 volume 3.02505E+04 ppm1 3.406 ppm2 0.712
ASSI { 1} (resid 86 and name HA2) (resid 86 and name HA1) 2.132 0.332 0.640 peak 1 weight 1.00000E+00 volume 1.62603E+06 ppm1 3.409 ppm2 4.273
!increased bounds on 11 and 12 2A!
ASSI { 11} (resid 87 and name HA) (resid 86 and name HA1) 2.765 0.749 2.829 peak 11 weight 1.00000E+00 volume 5.42778E+04 ppm1 4.229 ppm2 5.147
ASSI { 12} (resid 87 and name HA) (resid 86 and name HA2) 2.560 0.688 2.768 peak 12 weight 1.00000E+00 volume 5.99497E+04 ppm1 3.405 ppm2 5.158
ASSI { 1547} (resid 87 and name HA) (resid 87 and name HB1) 2.635 0.71 1.79 peak 1547 weight 1.00000E+00 volume 5.28233E+05 ppm1 5.120 ppm2 2.278
ASSI { 1548} (resid 87 and name HA) (resid 87 and name HG2) 2.745 0.743 1.823 peak 1548 weight 1.00000E+00 volume 3.56841E+04 ppm1 5.119 ppm2 1.751
ASSI { 1552} (resid 87 and name HA) (resid 87 and name HB2) 3.106 0.852 1.932 peak 1552 weight 1.00000E+00 volume 9.51795E+03 ppm1 1.710 ppm2 5.163
ASSI { 1556} (resid 87 and name HB2) (resid 87 and name HD1) 3.382 0.935 3.015 peak 1556 weight 1.00000E+00 volume 3.95366E+03 ppm1 1.713 ppm2 3.573
ASSI { 1559} (resid 87 and name HB2) (resid 87 and name HB1) 2.296 0.496 2.689 peak 1559 weight 1.00000E+00 volume 1.20681E+06 ppm1 1.709 ppm2 2.280
ASSI { 1560} (resid 87 and name HB1) (resid 87 and name HG2) 2.286 0.486 2.686 peak 1560 weight 1.00000E+00 volume 1.23722E+06 ppm1 2.245 ppm2 1.754
ASSI { 1564} (resid 87 and name HD2) (resid 87 and name HD1) 1.856 0.056 2.557 peak 1564 weight 1.00000E+00 volume 1.64051E+05 ppm1 3.506 ppm2 3.623
ASSI { 1557} (resid 87 and name HB1) (resid 87 and name HD1) 3.482 0.964 3.044 peak 1557 weight 1.00000E+00 volume 4.17821E+03 ppm1 2.243 ppm2 3.573
ASSI { 1567} (resid 87 and name HB1) (resid 87 and name HD2) 3.483 0.965 3.045 peak 1567 weight 1.00000E+00 volume 9.89755E+04 ppm1 3.507 ppm2 2.277
ASSI { 1562} (resid 87 and name HG2) (resid 87 and name HD1) 2.493 0.668 2.748 peak 1562 weight 1.00000E+00 volume 7.35775E+05 ppm1 1.790 ppm2 3.573
ASSI { 1569} (resid 87 and name HG2) (resid 87 and name HD2) 2.533 0.68 2.76 peak 1569 weight 1.00000E+00 volume 6.69252E+05 ppm1 3.511 ppm2 1.814
ASSI { 1640} (resid 88 and name HA) (resid 8 and name HG2) 2.750 0.745 2.3 peak 1640 weight 1.00000E+00 volume 3.01735E+04 ppm1 4.442 ppm2 2.277
OR    {  1640}  (resid  88  and  name  HA)    (resid  87  and  name  HB1)
ASSI { 1654} (resid 88 and name HB2) (resid 8 and name HG2) 3.813 1.064 3.144 peak 1654 weight 1.00000E+00 volume 4.21767E+03 ppm1 3.115 ppm2 2.285
OR    {  1654}  (resid  88  and  name  HB2)   (resid  87  and  name  HB1)
ASSI { 1555} (resid 88 and name HA) (resid 87 and name HB2) 2.855 0.777 1.857 peak 1555 weight 1.00000E+00 volume 1.88382E+04 ppm1 1.714 ppm2 4.454
ASSI { 1558} (resid 88 and name HB1) (resid 87 and name HB2) 3.259 0.898 2.978 peak 1558 weight 1.00000E+00 volume 1.47413E+05 ppm1 1.716 ppm2 3.036
!increased bound 2A!
ASSI { 1544} (resid 88 and name HA) (resid 87 and name HA) 2.378 0.578 2.713 peak 1544 weight 1.00000E+00 volume 8.59058E+04 ppm1 5.118 ppm2 4.472
ASSI { 1641} (resid 88 and name HA) (resid 87 and name HG2) 2.498 0.669 1.749 peak 1641 weight 1.00000E+00 volume 7.26658E+05 ppm1 4.440 ppm2 1.745
ASSI { 1650} (resid 88 and name HB1) (resid 87 and name HG2) 3.502 0.971 3.051 peak 1650 weight 1.00000E+00 volume 4.43765E+03 ppm1 3.006 ppm2 1.750
ASSI { 1651} (resid 88 and name HB2) (resid 87 and name HG2) 3.479 0.964 3.044 peak 1651 weight 1.00000E+00 volume 9.97069E+04 ppm1 3.123 ppm2 1.743
ASSI { 1653} (resid 88 and name HB1) (resid 87 and name HB1) 3.770 1.051 2.131 peak 1653 weight 1.00000E+00 volume 6.15794E+04 ppm1 3.008 ppm2 2.282
OR    {  1653}  (resid  88  and  name  HB1)   (resid  8   and  name  HG2)
ASSI { 1634} (resid 88 and name HA) (resid 88 and name HB1) 2.672 0.721 1.801 peak 1634 weight 1.00000E+00 volume 1.64177E+05 ppm1 3.003 ppm2 4.451
ASSI { 1645} (resid 88 and name HD#) (resid 88 and name HA) 3.005 0.821 3.301 peak 1645 weight 1.00000E+00 volume 2.40076E+05 ppm1 4.438 ppm2 7.104
ASSI { 1646} (resid 88 and name HD#) (resid 88 and name HB2) 2.901 0.79 4.27 peak 1646 weight 1.00000E+00 volume 2.96680E+05 ppm1 3.111 ppm2 7.104
ASSI { 1647} (resid 88 and name HD#) (resid 88 and name HB1) 2.951 0.805 4.285 peak 1647 weight 1.00000E+00 volume 2.67454E+05 ppm1 3.002 ppm2 7.110
ASSI { 1648} (resid 88 and name HB2) (resid 88 and name HB1) 2.269 0.469 2.681 peak 1648 weight 1.00000E+00 volume 9.95075E+05 ppm1 3.119 ppm2 3.003
ASSI { 1635} (resid 88 and name HA) (resid 88 and name HB2) 2.876 0.783 1.863 peak 1635 weight 1.00000E+00 volume 1.70216E+05 ppm1 3.116 ppm2 4.451
ASSI { 1054} (resid 89 and name HA) (resid 58 and name HA) 2.665 0.72 0.800 peak 1054 weight 1.00000E+00 volume 8.53701E+04 ppm1 5.002 ppm2 4.744
!(resid 89 and name HG12)
ASSI { 4} (resid 85 and name HG2) (resid 86 and name HA1) 3.061 0.838 1.918 peak 4 weight 1.00000E+00 volume 2.14619E+05 ppm1 4.230 ppm2 1.521
!(resid 89 and name HG12)
ASSI { 8} (resid 85 and name HG2) (resid 86 and name HA2) 2.976 0.813 1.893 peak 8 weight 1.00000E+00 volume 3.00422E+04 ppm1 3.407 ppm2 1.525
ASSI { 1628} (resid 89 and name HD1#) (resid 86 and name HA1) 2.893 0.788 2.368 peak 1628 weight 1.00000E+00 volume 3.81603E+04 ppm1 0.688 ppm2 4.279
ASSI { 2063} (resid 89 and name HD1#) (resid 86 and name HA2) 2.667 0.72 2.3 peak 2063 weight 1.00000E+00 volume 4.90550E+05 ppm1 0.690 ppm2 3.432
ASSI { 1570} (resid 89 and name HG11) (resid 87 and name HD1) 3.451 0.955 3.035 peak 1570 weight 1.00000E+00 volume 1.04570E+05 ppm1 3.568 ppm2 0.889
ASSI { 1055} (resid 89 and name HA) (resid 89 and name HB) 2.619 0.706 0.786 peak 1055 weight 1.00000E+00 volume 1.28009E+04 ppm1 1.496 ppm2 5.024
ASSI { 1058} (resid 89 and name HG2#) (resid 89 and name HB) 2.315 0.515 2.195 peak 1058 weight 1.00000E+00 volume 1.14782E+06 ppm1 1.491 ppm2 0.768
ASSI { 1059} (resid 89 and name HG11) (resid 89 and name HA) 2.359 0.559 1.708 peak 1059 weight 1.00000E+00 volume 1.02542E+06 ppm1 5.000 ppm2 0.847
ASSI { 1062} (resid 89 and name HG12) (resid 89 and name HG11) 2.138 0.338 2.642 peak 1062 weight 1.00000E+00 volume 1.84786E+06 ppm1 1.516 ppm2 0.866
ASSI { 1063} (resid 89 and name HG12) (resid 89 and name HA) 3.089 0.847 1.927 peak 1063 weight 1.00000E+00 volume 2.03544E+05 ppm1 1.513 ppm2 5.027
ASSI { 1057} (resid 89 and name HG2#) (resid 89 and name HA) 2.355 0.555 2.206 peak 1057 weight 1.00000E+00 volume 1.01623E+06 ppm1 5.003 ppm2 0.772
ASSI { 1070} (resid 89 and name HG2#) (resid 89 and name HG12) 2.046 0.246 3.114 peak 1070 weight 1.00000E+00 volume 3.14307E+05 ppm1 0.760 ppm2 1.523
OR    {  1070}  (resid  89  and  name  HG2#)  (resid  89  and  name  HB)
ASSI { 1624} (resid 89 and name HG2#) (resid 89 and name HG12) 2.423 0.623 3.227 peak 1624 weight 1.00000E+00 volume 8.73239E+05 ppm1 1.513 ppm2 0.708
ASSI { 2061} (resid 89 and name HD1#) (resid 89 and name HA) 2.968 0.81 2.39 peak 2061 weight 1.00000E+00 volume 2.58626E+05 ppm1 0.690 ppm2 5.020
ASSI { 2066} (resid 89 and name HG12) (resid 89 and name HD1#) 2.079 0.279 3.124 peak 2066 weight 1.00000E+00 volume 2.18956E+06 ppm1 0.693 ppm2 1.523
ASSI { 2067} (resid 89 and name HG11) (resid 89 and name HD1#) 2.464 0.659 3.239 peak 2067 weight 1.00000E+00 volume 7.90246E+05 ppm1 0.689 ppm2 0.871
ASSI { 1965} (resid 90 and name HB2) (resid 13 and name HD1#) 2.661 0.718 3.298 peak 1965 weight 1.00000E+00 volume 4.97914E+05 ppm1 0.668 ppm2 2.036
OR    {  1965}  (resid  13  and  name  HD1#)  (resid  13  and  name  HB)
ASSI { 1067} (resid 90 and name HA) (resid 89 and name HG2#) 2.796 0.759 2.339 peak 1067 weight 1.00000E+00 volume 4.00999E+04 ppm1 0.760 ppm2 4.678
OR    {  1067}  (resid  89  and  name  HG2#)  (resid  59  and  name  HA)
ASSI { 1069} (resid 90 and name HB2) (resid 89 and name HG2#) 2.706 0.732 3.312 peak 1069 weight 1.00000E+00 volume 4.31058E+04 ppm1 0.759 ppm2 2.042
ASSI { 282} (resid 90 and name HB1) (resid 90 and name HA) 2.636 0.711 1.791 peak 282 weight 1.00000E+00 volume 2.37274E+05 ppm1 1.875 ppm2 4.651
ASSI { 281} (resid 90 and name HB2) (resid 90 and name HA) 2.424 0.624 1.727 peak 281 weight 1.00000E+00 volume 2.15290E+04 ppm1 1.998 ppm2 4.658
ASSI { 287} (resid 90 and name HB2) (resid 90 and name HB1) 1.840 0.04 2.552 peak 287 weight 1.00000E+00 volume 3.46948E+06 ppm1 1.994 ppm2 1.885
ASSI { 294} (resid 90 and name HG2) (resid 90 and name HB2) 2.093 0.293 2.628 peak 294 weight 1.00000E+00 volume 2.10367E+06 ppm1 1.995 ppm2 2.145
ASSI { 295} (resid 90 and name HG2) (resid 90 and name HB1) 2.223 0.423 2.667 peak 295 weight 1.00000E+00 volume 8.78842E+04 ppm1 1.881 ppm2 2.141
ASSI { 286} (resid 90 and name HG2) (resid 90 and name HA) 2.516 0.675 1.755 peak 286 weight 1.00000E+00 volume 6.96561E+05 ppm1 4.635 ppm2 2.156
ASSI { 297} (resid 90 and name HG1) (resid 90 and name HA) 3.234 0.89 1.97 peak 297 weight 1.00000E+00 volume 1.54392E+05 ppm1 2.086 ppm2 4.666
ASSI { 1018} (resid 91 and name HA) (resid 54 and name HZ3) 3.135 0.861 0.941 peak 1018 weight 1.00000E+00 volume 1.01857E+04 ppm1 5.561 ppm2 7.072
OR    {  1018}  (resid  57  and  name  HD#)   (resid  91  and  name  HA)
ASSI { 1053} (resid 91 and name HD1#) (resid 54 and name HD1) 3.350 0.925 1.005 peak 1053 weight 1.00000E+00 volume 1.25089E+05 ppm1 0.850 ppm2 6.694
OR    {  1053}  (resid  66  and  name  HE#)   (resid  91  and  name  HD1#)
OR    {  1053}  (resid  91  and  name  HD1#)  (resid  93  and  name  HE22)
ASSI { 1036} (resid 91 and name HG2#) (resid 90 and name HA) 3.533 0.98 2.56 peak 1036 weight 1.00000E+00 volume 1.46545E+04 ppm1 1.097 ppm2 4.671
ASSI { 1009} (resid 91 and name HA) (resid 91 and name HB) 2.713 0.734 0.814 peak 1009 weight 1.00000E+00 volume 7.86686E+03 ppm1 1.977 ppm2 5.593
ASSI { 1012} (resid 91 and name HA) (resid 91 and name HG11) 2.740 0.742 1.822 peak 1012 weight 1.00000E+00 volume 2.37311E+04 ppm1 5.565 ppm2 1.662
ASSI { 1013} (resid 91 and name HA) (resid 91 and name HG2#) 2.150 0.35 2.145 peak 1013 weight 1.00000E+00 volume 9.89959E+04 ppm1 5.562 ppm2 1.115
ASSI { 1019} (resid 91 and name HB) (resid 91 and name HG12) 2.644 0.713 1.793 peak 1019 weight 1.00000E+00 volume 4.56324E+04 ppm1 1.196 ppm2 1.985
ASSI { 1014} (resid 91 and name HB) (resid 91 and name HG11) 2.674 0.722 1.802 peak 1014 weight 1.00000E+00 volume 2.95260E+04 ppm1 1.978 ppm2 1.648
ASSI { 1021} (resid 91 and name HG12) (resid 91 and name HG11) 1.80 0.00 2.539 peak 1021 weight 1.00000E+00 volume 3.31748E+05 ppm1 1.185 ppm2 1.672
ASSI { 1025} (resid 91 and name HG12) (resid 91 and name HD1#) 2.114 0.314 3.134 peak 1025 weight 1.00000E+00 volume 1.01721E+06 ppm1 1.183 ppm2 0.822
ASSI { 1028} (resid 91 and name HA) (resid 91 and name HG12) 2.772 0.752 1.832 peak 1028 weight 1.00000E+00 volume 4.19693E+04 ppm1 1.183 ppm2 5.578
ASSI { 1017} (resid 91 and name HB) (resid 91 and name HG2#) 1.928 0.128 2.078 peak 1017 weight 1.00000E+00 volume 1.79222E+06 ppm1 1.974 ppm2 1.137
ASSI { 1041} (resid 91 and name HG11) (resid 91 and name HG2#) 2.595 0.698 3.278 peak 1041 weight 1.00000E+00 volume 1.25794E+05 ppm1 1.094 ppm2 1.632
ASSI { 1042} (resid 91 and name HG2#) (resid 91 and name HD1#) 1.898 0.098 3.569 peak 1042 weight 1.00000E+00 volume 3.78187E+06 ppm1 1.095 ppm2 0.863
ASSI { 1024} (resid 91 and name HG11) (resid 91 and name HD1#) 2.065 0.265 3.119 peak 1024 weight 1.00000E+00 volume 2.27892E+06 ppm1 1.613 ppm2 0.816
ASSI { 1016} (resid 91 and name HB) (resid 91 and name HD1#) 2.224 0.424 2.167 peak 1016 weight 1.00000E+00 volume 7.04732E+04 ppm1 1.974 ppm2 0.868
ASSI { 1015} (resid 91 and name HA) (resid 91 and name HD1#) 2.721 0.736 2.316 peak 1015 weight 1.00000E+00 volume 2.95172E+04 ppm1 5.560 ppm2 0.849
ASSI { 1034} (resid 91 and name HG2#) (resid 92 and name HA) 3.048 0.835 2.415 peak 1034 weight 1.00000E+00 volume 2.20169E+05 ppm1 1.095 ppm2 5.027
ASSI { 1032} (resid 91 and name HG2#) (resid 93 and name HE21) 2.593 0.698 2.278 peak 1032 weight 1.00000E+00 volume 8.41279E+04 ppm1 1.094 ppm2 6.969
OR    {  1032}  (resid  54  and  name  HH2)   (resid  91  and  name  HG2#)
!ASSI { 239} (resid 92 and name HD1) (resid 2 and name HA) 2.525 0.678 1.758 peak 239 weight 1.00000E+00 volume 6.81750E+05 ppm1 4.590 ppm2 1.286
ASSI { 998} (resid 92 and name HG1) (resid 92 and name HA) 2.562 0.689 1.769 peak 998 weight 1.00000E+00 volume 4.72628E+04 ppm1 4.995 ppm2 1.262
ASSI { 997} (resid 92 and name HA) (resid 92 and name HB1) 2.277 0.477 1.683 peak 997 weight 1.00000E+00 volume 1.37389E+05 ppm1 4.998 ppm2 1.695
ASSI { 1000} (resid 92 and name HA) (resid 92 and name HB2) 2.188 0.388 1.656 peak 1000 weight 1.00000E+00 volume 6.18922E+04 ppm1 1.831 ppm2 5.026
ASSI { 1003} (resid 92 and name HD1) (resid 92 and name HB2) 2.378 0.578 2.713 peak 1003 weight 1.00000E+00 volume 7.81755E+04 ppm1 1.826 ppm2 1.278
ASSI { 1006} (resid 92 and name HB2) (resid 92 and name HB1) 1.907 0.107 2.572 peak 1006 weight 1.00000E+00 volume 3.40354E+06 ppm1 1.690 ppm2 1.859
ASSI { 1594} (resid 92 and name HG2) (resid 92 and name HB1) 2.822 0.766 2.846 peak 1594 weight 1.00000E+00 volume 3.50157E+05 ppm1 1.136 ppm2 1.695
ASSI { 1595} (resid 92 and name HG1) (resid 92 and name HB1) 2.768 0.751 2.831 peak 1595 weight 1.00000E+00 volume 3.92430E+05 ppm1 1.238 ppm2 1.690
ASSI { 1596} (resid 92 and name HG1) (resid 92 and name HB2) 2.901 0.79 2.87 peak 1596 weight 1.00000E+00 volume 2.96704E+05 ppm1 1.236 ppm2 1.864
ASSI { 1597} (resid 92 and name HG2) (resid 92 and name HB2) 2.993 0.818 2.898 peak 1597 weight 1.00000E+00 volume 2.45741E+05 ppm1 1.139 ppm2 1.861
ASSI { 1598} (resid 92 and name HG1) (resid 92 and name HE2) 2.819 0.766 2.846 peak 1598 weight 1.00000E+00 volume 3.52263E+05 ppm1 1.235 ppm2 2.094
ASSI { 1599} (resid 92 and name HG2) (resid 92 and name HE2) 2.947 0.804 2.884 peak 1599 weight 1.00000E+00 volume 2.69860E+05 ppm1 1.137 ppm2 2.094
ASSI { 1602} (resid 92 and name HD1) (resid 92 and name HE1) 3.091 0.847 2.927 peak 1602 weight 1.00000E+00 volume 2.02611E+05 ppm1 1.293 ppm2 2.278
ASSI { 1604} (resid 92 and name HD1) (resid 92 and name HE2) 2.907 0.792 2.872 peak 1604 weight 1.00000E+00 volume 2.92617E+05 ppm1 1.293 ppm2 2.099
ASSI { 1606} (resid 92 and name HD2) (resid 92 and name HB2) 2.833 0.77 2.85 peak 1606 weight 1.00000E+00 volume 3.42108E+05 ppm1 1.239 ppm2 1.865
ASSI { 1607} (resid 92 and name HD2) (resid 92 and name HB1) 2.656 0.717 2.797 peak 1607 weight 1.00000E+00 volume 5.03063E+05 ppm1 1.244 ppm2 1.694
ASSI { 1004} (resid 92 and name HD1) (resid 92 and name HB1) 2.250 0.45 2.675 peak 1004 weight 1.00000E+00 volume 8.83295E+04 ppm1 1.691 ppm2 1.288
ASSI { 2135} (resid 92 and name HE2) (resid 92 and name HE1) 2.073 0.273 2.622 peak 2135 weight 1.00000E+00 volume 2.22632E+06 ppm1 2.255 ppm2 2.101
ASSI { 1603} (resid 92 and name HD2) (resid 92 and name HE2) 2.359 0.559 2.708 peak 1603 weight 1.00000E+00 volume 3.74617E+05 ppm1 1.238 ppm2 2.095
ASSI { 1601} (resid 92 and name HD2) (resid 92 and name HE1) 2.316 0.516 2.695 peak 1601 weight 1.00000E+00 volume 2.49770E+04 ppm1 1.238 ppm2 2.274
!increased bound
ASSI { 171} (resid 93 and name HE22) (resid 53 and name HA) 3.133 0.86 1.95 peak 171 weight 1.00000E+00 volume 1.86964E+05 ppm1 5.603 ppm2 6.628
ASSI { 182} (resid 93 and name HB1) (resid 53 and name HB1) 2.867 0.78 1.86 peak 182 weight 1.00000E+00 volume 3.29875E+04 ppm1 2.526 ppm2 0.954
OR    {  182}   (resid  94  and  name  HG2#)  (resid  53  and  name  HB1)
ASSI { 372} (resid 93 and name HA) (resid 54 and name HA) 2.168 0.368 0.650 peak 372 weight 1.00000E+00 volume 1.42722E+06 ppm1 3.662 ppm2 4.662
ASSI { 380} (resid 93 and name HB2) (resid 93 and name HA) 2.415 0.615 1.724 peak 380 weight 1.00000E+00 volume 8.91342E+05 ppm1 3.666 ppm2 1.512
ASSI { 379} (resid 93 and name HB1) (resid 93 and name HA) 2.251 0.451 1.675 peak 379 weight 1.00000E+00 volume 1.35924E+06 ppm1 3.666 ppm2 0.981
ASSI { 384} (resid 93 and name HB1) (resid 93 and name HB2) 1.80 0.00 2.529 peak 384 weight 1.00000E+00 volume 3.36203E+05 ppm1 0.967 ppm2 1.515
ASSI { 389} (resid 93 and name HG2) (resid 93 and name HG1) 1.80 0.00 2.516 peak 389 weight 1.00000E+00 volume 9.00166E+05 ppm1 1.044 ppm2 0.983
ASSI { 391} (resid 93 and name HB2) (resid 93 and name HG1) 2.573 0.692 2.772 peak 391 weight 1.00000E+00 volume 6.09311E+05 ppm1 1.037 ppm2 1.517
ASSI { 392} (resid 93 and name HB2) (resid 93 and name HG2) 2.577 0.693 2.773 peak 392 weight 1.00000E+00 volume 6.37697E+04 ppm1 0.992 ppm2 1.513
ASSI { 381} (resid 93 and name HA) (resid 93 and name HG1) 2.257 0.457 1.677 peak 381 weight 1.00000E+00 volume 1.20814E+05 ppm1 3.667 ppm2 1.053
ASSI { 394} (resid 93 and name HA) (resid 93 and name HG2) 2.761 0.748 1.828 peak 394 weight 1.00000E+00 volume 3.98547E+05 ppm1 0.995 ppm2 3.684
ASSI { 395} (resid 93 and name HG1) (resid 93 and name HE21) 3.545 0.983 2.063 peak 395 weight 1.00000E+00 volume 8.90506E+04 ppm1 1.044 ppm2 6.988
ASSI { 397} (resid 93 and name HG2) (resid 93 and name HE21) 3.519 0.976 2.056 peak 397 weight 1.00000E+00 volume 9.30000E+04 ppm1 0.982 ppm2 6.985
ASSI { 176} (resid 94 and name HD1#) (resid 53 and name HA) 3.258 0.897 2.477 peak 176 weight 1.00000E+00 volume 1.11253E+05 ppm1 5.605 ppm2 0.697
ASSI { 181} (resid 94 and name HG12) (resid 53 and name HB1) 2.553 0.686 2.766 peak 181 weight 1.00000E+00 volume 6.38101E+05 ppm1 2.526 ppm2 1.157
ASSI { 183} (resid 94 and name HG11) (resid 53 and name HB1) 2.614 0.704 2.784 peak 183 weight 1.00000E+00 volume 5.73090E+04 ppm1 2.526 ppm2 0.675
OR    {  183}   (resid  94  and  name  HD1#)  (resid  53  and  name  HB1)
ASSI { 184} (resid 94 and name HD1#) (resid 53 and name HB2) 2.590 0.697 3.277 peak 184 weight 1.00000E+00 volume 5.47450E+04 ppm1 2.058 ppm2 0.704
ASSI { 185} (resid 94 and name HG2#) (resid 53 and name HB2) 2.717 0.735 3.315 peak 185 weight 1.00000E+00 volume 4.39282E+05 ppm1 2.060 ppm2 0.959
OR    {  185}   (resid  93  and  name  HB1)   (resid  53  and  name  HB2)
ASSI { 186} (resid 94 and name HG12) (resid 53 and name HB2) 2.718 0.736 2.816 peak 186 weight 1.00000E+00 volume 4.37772E+05 ppm1 2.058 ppm2 1.143
ASSI { 956} (resid 94 and name HA) (resid 53 and name HD22) 3.449 0.955 1.035 peak 956 weight 1.00000E+00 volume 8.33080E+03 ppm1 4.202 ppm2 7.240
ASSI { 973} (resid 94 and name HG2#) (resid 53 and name HD22) 1.962 0.162 2.088 peak 973 weight 1.00000E+00 volume 3.10108E+06 ppm1 0.916 ppm2 7.262
ASSI { 982} (resid 94 and name HD1#) (resid 53 and name HB1) 2.686 0.726 3.306 peak 982 weight 1.00000E+00 volume 4.70219E+05 ppm1 0.687 ppm2 2.548
ASSI { 990} (resid 94 and name HD1#) (resid 53 and name HD22) 2.489 0.667 2.247 peak 990 weight 1.00000E+00 volume 7.42567E+05 ppm1 0.688 ppm2 7.264
ASSI { 994} (resid 94 and name HG11) (resid 53 and name HB2) 3.042 0.833 2.913 peak 994 weight 1.00000E+00 volume 2.17246E+04 ppm1 0.628 ppm2 2.072
ASSI { 995} (resid 94 and name HG11) (resid 53 and name HB1) 3.050 0.835 2.915 peak 995 weight 1.00000E+00 volume 2.19672E+05 ppm1 0.624 ppm2 2.559
ASSI { 988} (resid 94 and name HD1#) (resid 54 and name HA) 2.925 0.798 2.378 peak 988 weight 1.00000E+00 volume 2.82072E+05 ppm1 0.687 ppm2 4.658
ASSI { 1860} (resid 94 and name HG12) (resid 54 and name HA) 2.909 0.793 1.873 peak 1860 weight 1.00000E+00 volume 2.91521E+05 ppm1 4.636 ppm2 1.102
ASSI { 1862} (resid 94 and name HG11) (resid 54 and name HA) 2.956 0.807 1.887 peak 1862 weight 1.00000E+00 volume 2.64844E+05 ppm1 4.637 ppm2 0.661
ASSI { 38} (resid 94 and name HD1#) (resid 55 and name HA2) 2.485 0.665 2.245 peak 38 weight 1.00000E+00 volume 4.71063E+04 ppm1 3.209 ppm2 0.713
ASSI { 968} (resid 94 and name HG2#) (resid 55 and name HA2) 2.604 0.701 2.281 peak 968 weight 1.00000E+00 volume 8.20197E+04 ppm1 0.917 ppm2 3.235
ASSI { 972} (resid 94 and name HG2#) (resid 55 and name HA1) 2.802 0.761 2.341 peak 972 weight 1.00000E+00 volume 3.41872E+04 ppm1 0.919 ppm2 5.149
ASSI { 35} (resid 94 and name HD1#) (resid 55 and name HA1) 2.565 0.689 2.269 peak 35 weight 1.00000E+00 volume 2.97426E+04 ppm1 5.115 ppm2 0.699
ASSI { 986} (resid 94 and name HD1#) (resid 65 and name HB) 2.659 0.718 2.298 peak 986 weight 1.00000E+00 volume 5.00194E+05 ppm1 0.688 ppm2 3.736
ASSI { 967} (resid 94 and name HG2#) (resid 92 and name HE1) 3.191 0.877 3.457 peak 967 weight 1.00000E+00 volume 6.35535E+04 ppm1 0.917 ppm2 2.283
ASSI { 377} (resid 94 and name HG11) (resid 93 and name HA) 3.380 0.934 2.014 peak 377 weight 1.00000E+00 volume 1.18480E+05 ppm1 3.666 ppm2 0.648
ASSI { 951} (resid 94 and name HA) (resid 93 and name HB2) 3.500 0.97 2.05 peak 951 weight 1.00000E+00 volume 9.60632E+04 ppm1 4.203 ppm2 1.475
ASSI { 969} (resid 94 and name HG2#) (resid 93 and name HA) 3.065 0.839 2.419 peak 969 weight 1.00000E+00 volume 3.95511E+04 ppm1 0.920 ppm2 3.694
ASSI { 979} (resid 94 and name HD1#) (resid 93 and name HB2) 2.318 0.518 3.195 peak 979 weight 1.00000E+00 volume 1.62127E+05 ppm1 0.690 ppm2 1.464
ASSI { 980} (resid 94 and name HD1#) (resid 93 and name HB1) 2.096 0.296 3.129 peak 980 weight 1.00000E+00 volume 4.17309E+05 ppm1 0.689 ppm2 0.979
ASSI { 947} (resid 94 and name HA) (resid 94 and name HG12) 2.769 0.751 1.831 peak 947 weight 1.00000E+00 volume 3.83719E+04 ppm1 4.201 ppm2 1.144
ASSI { 948} (resid 94 and name HA) (resid 94 and name HB) 2.119 0.319 0.636 peak 948 weight 1.00000E+00 volume 2.33424E+05 ppm1 4.203 ppm2 1.980
ASSI { 946} (resid 94 and name HG12) (resid 94 and name HB) 2.352 0.552 1.706 peak 946 weight 1.00000E+00 volume 6.37051E+04 ppm1 1.952 ppm2 1.136
ASSI { 961} (resid 94 and name HG2#) (resid 94 and name HG12) 2.668 0.72 3.3 peak 961 weight 1.00000E+00 volume 4.89535E+05 ppm1 1.126 ppm2 0.936
ASSI { 965} (resid 94 and name HG2#) (resid 94 and name HD1#) 2.064 0.264 3.619 peak 965 weight 1.00000E+00 volume 8.35297E+04 ppm1 0.915 ppm2 0.663
ASSI { 945} (resid 94 and name HG2#) (resid 94 and name HB) 1.935 0.135 2.08 peak 945 weight 1.00000E+00 volume 1.56432E+05 ppm1 1.943 ppm2 0.928
ASSI { 944} (resid 94 and name HG2#) (resid 94 and name HA) 2.078 0.278 2.123 peak 944 weight 1.00000E+00 volume 2.17355E+06 ppm1 4.198 ppm2 0.934
ASSI { 962} (resid 94 and name HD1#) (resid 94 and name HG12) 1.845 0.045 3.053 peak 962 weight 1.00000E+00 volume 4.47994E+06 ppm1 1.129 ppm2 0.662
ASSI { 943} (resid 94 and name HD1#) (resid 94 and name HB) 2.169 0.369 2.151 peak 943 weight 1.00000E+00 volume 1.06731E+06 ppm1 1.942 ppm2 0.695
ASSI { 942} (resid 94 and name HD1#) (resid 94 and name HA) 2.666 0.72 2.3 peak 942 weight 1.00000E+00 volume 5.61418E+04 ppm1 4.201 ppm2 0.690
ASSI { 992} (resid 94 and name HG12) (resid 94 and name HG11) 2.026 0.226 2.608 peak 992 weight 1.00000E+00 volume 2.55749E+06 ppm1 0.628 ppm2 1.148
ASSI { 993} (resid 94 and name HG11) (resid 94 and name HB) 2.801 0.76 1.84 peak 993 weight 1.00000E+00 volume 3.66021E+05 ppm1 0.630 ppm2 1.973

!!!!!!!!!!
!!HBonds!!
!!!!!!!!!!
assi    (segid A and resid 11   and name  O)   (segid A and resid 15   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 14   and name  O)   (segid A and resid 18   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 15   and name  HN)   (segid A and resid 11   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 15   and name  O)   (segid A and resid 19   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 16   and name  O)   (segid A and resid 20   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 18   and name  HN)   (segid A and resid 14   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 19   and name  HN)   (segid A and resid 15   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 20   and name  HN)   (segid A and resid 16   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 26   and name  HN)   (segid A and resid 41   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 28   and name  O)   (segid A and resid 39   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 30   and name  O)   (segid A and resid 37   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 32   and name  HN)   (segid A and resid 35   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 35   and name  O)   (segid A and resid 32   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 37   and name  HN)   (segid A and resid 30   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 39   and name  HN)   (segid A and resid 28   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 41   and name  O)   (segid A and resid 26   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 52   and name  O)   (segid A and resid 68   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 54   and name  O)   (segid A and resid 66   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 55   and name  O)   (segid A and resid 92   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 56   and name  HN)   (segid A and resid 64   and name  O)      2.200     0.470     0.500

!TRANS FORM ONLY
 assi    (segid A and resid 57   and name  O)   (segid A and resid 90   and name  N)      3.200     0.684     0.727

!TRANS FORM ONLY
 assi    (segid A and resid 59   and name  HN)   (segid A and resid 88   and name  O)      2.200     0.470     0.500

!TRANS FORM ONLY consistently violated. NOT FUCKING THERE. MY LIFE IS A LIE!
! assi    (segid A and resid 58   and name  O)   (segid A and resid 62   and name  N)      3.200     0.684     0.727

!TRANS FORM ONLY consistently violated. NOT FUCKING THERE. MY LIFE IS A LIE!
! assi    (segid A and resid 62   and name  HN)   (segid A and resid 58   and name  O)      2.200     0.470     0.800

 assi    (segid A and resid 64   and name  O)   (segid A and resid 56   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 66   and name  HN)   (segid A and resid 54   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 68   and name  HN)   (segid A and resid 52   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 72   and name  O)   (segid A and resid 76   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 73   and name  O)   (segid A and resid 77   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 74   and name  O)   (segid A and resid 78   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 75   and name  O)   (segid A and resid 79   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 76   and name  HN)   (segid A and resid 72   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 76   and name  O)   (segid A and resid 80   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 77   and name  HN)   (segid A and resid 73   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 78   and name  HN)   (segid A and resid 74   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 79   and name  HN)   (segid A and resid 75   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 80   and name  HN)   (segid A and resid 76   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 81   and name  O)   (segid A and resid 83   and name  N)      3.200     0.684     0.727

 assi    (segid A and resid 83   and name  HN)   (segid A and resid 81   and name  O)      2.200     0.470     0.500

!TRANS FORM ONLY
 assi    (segid A and resid 88   and name  O)   (segid A and resid 59   and name  N)      3.200     0.684     0.727

!TRANS FORM ONLY
 assi    (segid A and resid 90   and name  HN)   (segid A and resid 57   and name  O)      2.200     0.470     0.500

 assi    (segid A and resid 92   and name  HN)   (segid A and resid 55   and name  O)      2.200     0.470     0.500

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    ASP   1           HT1      ASP   1 -14.394  -6.053  -9.759
    2    HA   ASP   1           HA       ASP   1 -14.759  -8.046 -11.058
    3    HB2  ASP   1           HB2      ASP   1 -14.420 -10.250  -9.944
    4    HB3  ASP   1           HB1      ASP   1 -12.919  -9.402 -10.288
    5    H    ASN   2           HN       ASN   2 -15.220  -7.744  -7.514
    6    HA   ASN   2           HA       ASN   2 -18.089  -7.752  -7.926
    7    HB2  ASN   2           HB2      ASN   2 -17.738 -10.123  -7.800
    8    HB3  ASN   2           HB1      ASN   2 -16.684  -9.948  -6.400
    9   HD21  ASN   2          HD21      ASN   2 -19.960  -9.903  -7.544
   10   HD22  ASN   2          HD22      ASN   2 -20.715 -10.007  -5.993
   11    H    GLN   3           HN       GLN   3 -15.446  -7.797  -5.600
   12    HA   GLN   3           HA       GLN   3 -16.727  -6.860  -3.329
   13    HB2  GLN   3           HB2      GLN   3 -13.920  -6.319  -4.310
   14    HB3  GLN   3           HB1      GLN   3 -14.486  -5.919  -2.699
   15    HG2  GLN   3           HG2      GLN   3 -13.183  -7.970  -2.754
   16    HG3  GLN   3           HG1      GLN   3 -14.825  -8.251  -2.191
   17   HE21  GLN   3          HE21      GLN   3 -12.564  -8.700  -4.800
   18   HE22  GLN   3          HE22      GLN   3 -13.452  -9.934  -5.628
   19    H    LYS   4           HN       LYS   4 -15.899  -5.285  -6.205
   20    HA   LYS   4           HA       LYS   4 -15.623  -2.658  -5.882
   21    HB2  LYS   4           HB2      LYS   4 -15.960  -3.932  -8.023
   22    HB3  LYS   4           HB1      LYS   4 -17.688  -3.844  -7.734
   23    HG2  LYS   4           HG2      LYS   4 -17.588  -1.403  -7.826
   24    HG3  LYS   4           HG1      LYS   4 -15.852  -1.492  -8.132
   25    HD2  LYS   4           HD2      LYS   4 -16.282  -2.747 -10.190
   26    HD3  LYS   4           HD1      LYS   4 -18.016  -2.657  -9.883
   27    HE2  LYS   4           HE2      LYS   4 -16.186  -0.299 -10.315
   28    HE3  LYS   4           HE1      LYS   4 -17.275  -0.982 -11.520
   29    HZ1  LYS   4           HZ1      LYS   4 -18.083   0.259  -8.945
   30    HZ2  LYS   4           HZ2      LYS   4 -19.141  -0.422 -10.075
   31    HZ3  LYS   4           HZ3      LYS   4 -18.246   0.951 -10.479
   32    H    ALA   5           HN       ALA   5 -18.796  -4.276  -5.631
   33    HA   ALA   5           HA       ALA   5 -20.029  -1.728  -4.961
   34    HB1  ALA   5           HB1      ALA   5 -21.132  -3.203  -6.574
   35    HB2  ALA   5           HB2      ALA   5 -22.147  -2.892  -5.167
   36    HB3  ALA   5           HB3      ALA   5 -21.303  -4.432  -5.322
   37    H    LEU   6           HN       LEU   6 -18.802  -4.459  -3.326
   38    HA   LEU   6           HA       LEU   6 -20.595  -4.106  -1.057
   39    HB2  LEU   6           HB2      LEU   6 -18.559  -6.223  -1.694
   40    HB3  LEU   6           HB1      LEU   6 -19.356  -6.122  -0.134
   41    HG   LEU   6           HG       LEU   6 -20.503  -7.776  -1.378
   42   HD11  LEU   6          HD11      LEU   6 -22.750  -6.909  -1.544
   43   HD12  LEU   6          HD12      LEU   6 -22.139  -5.257  -1.590
   44   HD13  LEU   6          HD13      LEU   6 -21.942  -6.229  -0.131
   45   HD21  LEU   6          HD21      LEU   6 -20.680  -5.786  -3.633
   46   HD22  LEU   6          HD22      LEU   6 -21.457  -7.369  -3.606
   47   HD23  LEU   6          HD23      LEU   6 -19.697  -7.249  -3.597
   48    H    GLU   7           HN       GLU   7 -17.435  -5.274  -0.333
   49    HA   GLU   7           HA       GLU   7 -17.129  -3.024   1.498
   50    HB2  GLU   7           HB2      GLU   7 -15.748  -5.701   1.352
   51    HB3  GLU   7           HB1      GLU   7 -15.260  -4.434   2.463
   52    HG2  GLU   7           HG2      GLU   7 -16.612  -5.943   3.670
   53    HG3  GLU   7           HG1      GLU   7 -17.571  -4.490   3.410
   54    H    GLU   8           HN       GLU   8 -15.131  -4.849  -0.771
   55    HA   GLU   8           HA       GLU   8 -13.674  -4.103  -2.376
   56    HB2  GLU   8           HB2      GLU   8 -13.891  -1.449  -0.974
   57    HB3  GLU   8           HB1      GLU   8 -12.789  -1.744  -2.309
   58    HG2  GLU   8           HG2      GLU   8 -14.564  -2.125  -3.819
   59    HG3  GLU   8           HG1      GLU   8 -15.741  -2.241  -2.513
   60    H    GLN   9           HN       GLN   9 -13.027  -3.254   0.988
   61    HA   GLN   9           HA       GLN   9 -10.189  -3.457   0.760
   62    HB2  GLN   9           HB2      GLN   9 -11.835  -3.697   3.278
   63    HB3  GLN   9           HB1      GLN   9 -10.114  -3.385   3.187
   64    HG2  GLN   9           HG2      GLN   9 -11.059  -1.318   3.660
   65    HG3  GLN   9           HG1      GLN   9 -10.734  -1.259   1.930
   66   HE21  GLN   9          HE21      GLN   9 -13.366  -3.085   3.303
   67   HE22  GLN   9          HE22      GLN   9 -14.633  -2.102   2.654
   68    H    MET  10           HN       MET  10 -11.914  -5.873  -0.031
   69    HA   MET  10           HA       MET  10 -11.323  -7.891   1.934
   70    HB2  MET  10           HB2      MET  10 -12.425  -8.094  -0.868
   71    HB3  MET  10           HB1      MET  10 -12.277  -9.450   0.236
   72    HG2  MET  10           HG2      MET  10 -13.943  -6.995   0.730
   73    HG3  MET  10           HG1      MET  10 -14.549  -8.532   0.123
   74    HE1  MET  10           HE1      MET  10 -13.559  -7.446   4.450
   75    HE2  MET  10           HE2      MET  10 -14.090  -6.373   3.157
   76    HE3  MET  10           HE3      MET  10 -12.445  -7.006   3.158
   77    H    ASN  11           HN       ASN  11 -10.795  -9.908  -0.264
   78    HA   ASN  11           HA       ASN  11  -8.145 -10.400   0.238
   79    HB2  ASN  11           HB2      ASN  11  -9.801 -11.190  -2.157
   80    HB3  ASN  11           HB1      ASN  11  -8.191 -11.828  -1.843
   81   HD21  ASN  11          HD21      ASN  11  -7.886 -13.258  -0.156
   82   HD22  ASN  11          HD22      ASN  11  -9.203 -14.047   0.635
   83    H    SER  12           HN       SER  12  -9.427  -8.204  -2.123
   84    HA   SER  12           HA       SER  12  -7.349  -7.962  -3.914
   85    HB2  SER  12           HB2      SER  12  -9.026  -5.702  -2.800
   86    HB3  SER  12           HB1      SER  12  -8.185  -5.724  -4.356
   87    HG   SER  12           HG       SER  12  -9.695  -7.898  -4.227
   88    H    ILE  13           HN       ILE  13  -7.566  -6.693  -0.614
   89    HA   ILE  13           HA       ILE  13  -5.032  -5.288  -0.950
   90    HB   ILE  13           HB       ILE  13  -5.285  -4.415   1.246
   91   HG12  ILE  13          HG12      ILE  13  -7.818  -5.885   1.799
   92   HG13  ILE  13          HG11      ILE  13  -6.293  -6.736   2.038
   93   HG21  ILE  13          HG21      ILE  13  -7.514  -3.356   1.150
   94   HG22  ILE  13          HG22      ILE  13  -7.939  -4.453  -0.169
   95   HG23  ILE  13          HG23      ILE  13  -6.633  -3.286  -0.378
   96   HD11  ILE  13          HD11      ILE  13  -7.105  -4.147   3.328
   97   HD12  ILE  13          HD12      ILE  13  -5.552  -4.958   3.536
   98   HD13  ILE  13          HD13      ILE  13  -7.036  -5.732   4.101
   99    H    ASN  14           HN       ASN  14  -6.287  -8.217   0.506
  100    HA   ASN  14           HA       ASN  14  -4.015  -8.723   2.155
  101    HB2  ASN  14           HB2      ASN  14  -6.056 -10.664   1.111
  102    HB3  ASN  14           HB1      ASN  14  -4.937 -10.972   2.427
  103   HD21  ASN  14          HD21      ASN  14  -5.251  -9.931   4.413
  104   HD22  ASN  14          HD22      ASN  14  -6.775  -9.230   4.840
  105    H    SER  15           HN       SER  15  -5.002  -9.721  -1.086
  106    HA   SER  15           HA       SER  15  -2.831 -11.390  -1.674
  107    HB2  SER  15           HB2      SER  15  -4.296  -9.494  -3.528
  108    HB3  SER  15           HB1      SER  15  -3.275 -10.839  -4.037
  109    HG   SER  15           HG       SER  15  -5.215 -11.570  -2.243
  110    H    VAL  16           HN       VAL  16  -3.149  -7.908  -1.625
  111    HA   VAL  16           HA       VAL  16  -0.557  -7.314  -2.608
  112    HB   VAL  16           HB       VAL  16  -2.392  -5.708  -0.804
  113   HG11  VAL  16          HG11      VAL  16  -0.976  -3.833  -1.144
  114   HG12  VAL  16          HG12      VAL  16   0.009  -4.695  -2.322
  115   HG13  VAL  16          HG13      VAL  16   0.067  -5.153  -0.620
  116   HG21  VAL  16          HG21      VAL  16  -3.236  -6.147  -3.084
  117   HG22  VAL  16          HG22      VAL  16  -1.763  -5.430  -3.746
  118   HG23  VAL  16          HG23      VAL  16  -2.885  -4.439  -2.813
  119    H    ASN  17           HN       ASN  17  -1.879  -7.983   0.621
  120    HA   ASN  17           HA       ASN  17   0.405  -7.141   2.066
  121    HB2  ASN  17           HB2      ASN  17  -1.913  -8.920   2.703
  122    HB3  ASN  17           HB1      ASN  17  -0.537  -8.885   3.796
  123   HD21  ASN  17          HD21      ASN  17  -3.230  -7.119   2.520
  124   HD22  ASN  17          HD22      ASN  17  -3.170  -5.819   3.662
  125    H    ASP  18           HN       ASP  18  -0.521 -10.276   0.733
  126    HA   ASP  18           HA       ASP  18   1.672 -11.737   1.750
  127    HB2  ASP  18           HB2      ASP  18  -0.180 -12.195  -0.579
  128    HB3  ASP  18           HB1      ASP  18   1.137 -13.308  -0.208
  129    H    LYS  19           HN       LYS  19   1.375  -9.567  -0.920
  130    HA   LYS  19           HA       LYS  19   3.671 -10.647  -2.337
  131    HB2  LYS  19           HB2      LYS  19   1.871  -8.277  -2.855
  132    HB3  LYS  19           HB1      LYS  19   3.240  -8.691  -3.878
  133    HG2  LYS  19           HG2      LYS  19   2.207 -10.818  -4.427
  134    HG3  LYS  19           HG1      LYS  19   0.856 -10.454  -3.345
  135    HD2  LYS  19           HD2      LYS  19   0.427  -8.406  -4.739
  136    HD3  LYS  19           HD1      LYS  19   1.622  -9.018  -5.883
  137    HE2  LYS  19           HE2      LYS  19   0.289 -11.062  -6.157
  138    HE3  LYS  19           HE1      LYS  19  -0.914 -10.417  -5.042
  139    HZ1  LYS  19           HZ1      LYS  19  -1.232  -8.554  -6.596
  140    HZ2  LYS  19           HZ2      LYS  19  -1.625 -10.045  -7.284
  141    HZ3  LYS  19           HZ3      LYS  19  -0.167  -9.289  -7.685
  142    H    LEU  20           HN       LEU  20   2.815  -7.983  -0.274
  143    HA   LEU  20           HA       LEU  20   5.332  -6.625  -0.676
  144    HB2  LEU  20           HB2      LEU  20   3.028  -6.085   1.185
  145    HB3  LEU  20           HB1      LEU  20   4.421  -5.029   0.992
  146    HG   LEU  20           HG       LEU  20   2.257  -5.638  -1.009
  147   HD11  LEU  20          HD11      LEU  20   3.303  -2.996  -0.044
  148   HD12  LEU  20          HD12      LEU  20   1.956  -3.841   0.718
  149   HD13  LEU  20          HD13      LEU  20   1.831  -3.313  -0.961
  150   HD21  LEU  20          HD21      LEU  20   4.883  -4.243  -1.495
  151   HD22  LEU  20          HD22      LEU  20   3.518  -4.273  -2.610
  152   HD23  LEU  20          HD23      LEU  20   4.353  -5.770  -2.204
  153    H    ASN  21           HN       ASN  21   3.839  -8.691   1.732
  154    HA   ASN  21           HA       ASN  21   6.064  -8.422   3.561
  155    HB2  ASN  21           HB2      ASN  21   3.542 -10.055   3.523
  156    HB3  ASN  21           HB1      ASN  21   4.840 -10.472   4.641
  157   HD21  ASN  21          HD21      ASN  21   2.422  -8.060   3.803
  158   HD22  ASN  21          HD22      ASN  21   2.518  -7.195   5.300
  159    H    LYS  22           HN       LYS  22   7.370  -8.930   1.507
  160    HA   LYS  22           HA       LYS  22   7.627 -11.776   0.947
  161    HB2  LYS  22           HB2      LYS  22   9.176 -10.874  -0.907
  162    HB3  LYS  22           HB1      LYS  22   7.446 -10.589  -1.048
  163    HG2  LYS  22           HG2      LYS  22   8.485  -8.571  -1.667
  164    HG3  LYS  22           HG1      LYS  22   7.867  -8.303  -0.040
  165    HD2  LYS  22           HD2      LYS  22  10.443  -9.275   0.344
  166    HD3  LYS  22           HD1      LYS  22  10.586  -8.187  -1.037
  167    HE2  LYS  22           HE2      LYS  22  10.960  -7.038   1.128
  168    HE3  LYS  22           HE1      LYS  22   9.585  -6.375   0.250
  169    HZ1  LYS  22           HZ1      LYS  22   9.285  -6.792   2.689
  170    HZ2  LYS  22           HZ2      LYS  22   9.269  -8.446   2.325
  171    HZ3  LYS  22           HZ3      LYS  22   8.090  -7.420   1.669
  172    H    GLY  23           HN       GLY  23   8.918 -10.038   3.295
  173    HA2  GLY  23           HA2      GLY  23  10.746 -11.310   4.444
  174    HA3  GLY  23           HA1      GLY  23  11.625 -11.163   2.925
  175    H    LYS  24           HN       LYS  24  11.942  -8.885   2.164
  176    HA   LYS  24           HA       LYS  24  13.149  -7.315   4.234
  177    HB2  LYS  24           HB2      LYS  24  13.679  -7.658   1.618
  178    HB3  LYS  24           HB1      LYS  24  12.728  -6.181   1.517
  179    HG2  LYS  24           HG2      LYS  24  14.278  -4.947   2.695
  180    HG3  LYS  24           HG1      LYS  24  15.024  -6.375   3.422
  181    HD2  LYS  24           HD2      LYS  24  16.074  -6.968   1.393
  182    HD3  LYS  24           HD1      LYS  24  15.072  -5.852   0.467
  183    HE2  LYS  24           HE2      LYS  24  16.180  -3.958   1.463
  184    HE3  LYS  24           HE1      LYS  24  17.082  -5.010   2.553
  185    HZ1  LYS  24           HZ1      LYS  24  18.339  -5.860   0.775
  186    HZ2  LYS  24           HZ2      LYS  24  18.314  -4.186   0.541
  187    HZ3  LYS  24           HZ3      LYS  24  17.321  -5.186  -0.393
  188    H    GLY  25           HN       GLY  25  12.492  -4.687   3.095
  189    HA2  GLY  25           HA2      GLY  25  10.567  -3.773   4.771
  190    HA3  GLY  25           HA1      GLY  25  10.876  -3.047   3.222
  191    H    LYS  26           HN       LYS  26   8.410  -3.451   4.850
  192    HA   LYS  26           HA       LYS  26   6.826  -4.748   2.786
  193    HB2  LYS  26           HB2      LYS  26   5.953  -6.430   4.272
  194    HB3  LYS  26           HB1      LYS  26   7.717  -6.511   4.232
  195    HG2  LYS  26           HG2      LYS  26   7.513  -4.989   6.358
  196    HG3  LYS  26           HG1      LYS  26   5.900  -5.707   6.446
  197    HD2  LYS  26           HD2      LYS  26   7.126  -7.216   7.684
  198    HD3  LYS  26           HD1      LYS  26   7.208  -7.941   6.079
  199    HE2  LYS  26           HE2      LYS  26   9.380  -6.743   5.732
  200    HE3  LYS  26           HE1      LYS  26   9.299  -6.250   7.423
  201    HZ1  LYS  26           HZ1      LYS  26   9.422  -8.499   8.127
  202    HZ2  LYS  26           HZ2      LYS  26  10.672  -8.253   7.011
  203    HZ3  LYS  26           HZ3      LYS  26   9.271  -9.080   6.548
  204    H    LEU  27           HN       LEU  27   4.881  -3.925   2.581
  205    HA   LEU  27           HA       LEU  27   3.976  -1.971   4.572
  206    HB2  LEU  27           HB2      LEU  27   4.463  -1.160   2.272
  207    HB3  LEU  27           HB1      LEU  27   3.247  -2.257   1.646
  208    HG   LEU  27           HG       LEU  27   2.468  -0.163   3.648
  209   HD11  LEU  27          HD11      LEU  27   2.759   0.241   0.671
  210   HD12  LEU  27          HD12      LEU  27   3.727   1.020   1.921
  211   HD13  LEU  27          HD13      LEU  27   2.003   1.368   1.797
  212   HD21  LEU  27          HD21      LEU  27   0.831  -1.871   3.060
  213   HD22  LEU  27          HD22      LEU  27   1.043  -1.504   1.348
  214   HD23  LEU  27          HD23      LEU  27   0.341  -0.299   2.427
  215    H    SER  28           HN       SER  28   2.244  -2.451   5.743
  216    HA   SER  28           HA       SER  28   0.563  -4.729   4.938
  217    HB2  SER  28           HB2      SER  28   0.810  -3.325   7.617
  218    HB3  SER  28           HB1      SER  28  -0.118  -4.791   7.292
  219    HG   SER  28           HG       SER  28   2.548  -4.837   6.540
  220    H    LEU  29           HN       LEU  29  -1.619  -4.445   4.573
  221    HA   LEU  29           HA       LEU  29  -2.510  -1.647   4.360
  222    HB2  LEU  29           HB2      LEU  29  -3.546  -4.156   3.045
  223    HB3  LEU  29           HB1      LEU  29  -4.272  -2.572   2.856
  224    HG   LEU  29           HG       LEU  29  -2.064  -1.811   1.865
  225   HD11  LEU  29          HD11      LEU  29  -1.570  -4.782   1.702
  226   HD12  LEU  29          HD12      LEU  29  -0.684  -3.651   2.726
  227   HD13  LEU  29          HD13      LEU  29  -0.588  -3.513   0.970
  228   HD21  LEU  29          HD21      LEU  29  -4.085  -2.322   0.552
  229   HD22  LEU  29          HD22      LEU  29  -3.544  -3.994   0.408
  230   HD23  LEU  29          HD23      LEU  29  -2.599  -2.696  -0.318
  231    H    SER  30           HN       SER  30  -3.942  -0.846   5.752
  232    HA   SER  30           HA       SER  30  -6.173  -2.529   6.406
  233    HB2  SER  30           HB2      SER  30  -4.516  -2.952   8.241
  234    HB3  SER  30           HB1      SER  30  -4.593  -1.235   8.647
  235    HG   SER  30           HG       SER  30  -6.804  -3.025   8.647
  236    H    MET  31           HN       MET  31  -8.034  -1.377   6.965
  237    HA   MET  31           HA       MET  31  -7.835   1.541   6.653
  238    HB2  MET  31           HB2      MET  31 -10.010  -0.184   5.453
  239    HB3  MET  31           HB1      MET  31  -9.829   1.552   5.271
  240    HG2  MET  31           HG2      MET  31  -9.083   0.670   3.257
  241    HG3  MET  31           HG1      MET  31  -7.610   1.035   4.149
  242    HE1  MET  31           HE1      MET  31  -7.529  -0.856   1.609
  243    HE2  MET  31           HE2      MET  31  -6.454  -2.110   2.230
  244    HE3  MET  31           HE3      MET  31  -6.152  -0.419   2.618
  245    H    ASN  32           HN       ASN  32  -9.125   2.738   7.945
  246    HA   ASN  32           HA       ASN  32 -11.268   1.371   9.424
  247    HB2  ASN  32           HB2      ASN  32  -9.283   3.353  10.572
  248    HB3  ASN  32           HB1      ASN  32 -10.734   2.800  11.406
  249   HD21  ASN  32          HD21      ASN  32 -10.818   0.710  12.202
  250   HD22  ASN  32          HD22      ASN  32  -9.396  -0.266  12.384
  251    H    GLY  33           HN       GLY  33 -12.749   2.204   7.968
  252    HA2  GLY  33           HA2      GLY  33 -14.271   3.706   7.171
  253    HA3  GLY  33           HA1      GLY  33 -13.884   4.694   8.572
  254    H    ASN  34           HN       ASN  34 -12.537   6.466   8.321
  255    HA   ASN  34           HA       ASN  34 -12.078   7.282   5.546
  256    HB2  ASN  34           HB2      ASN  34 -11.800   9.545   6.488
  257    HB3  ASN  34           HB1      ASN  34 -13.336   8.835   6.971
  258   HD21  ASN  34          HD21      ASN  34  -9.973   9.216   8.088
  259   HD22  ASN  34          HD22      ASN  34 -10.388   9.398   9.773
  260    H    GLN  35           HN       GLN  35 -10.218   5.384   6.861
  261    HA   GLN  35           HA       GLN  35  -7.849   7.030   7.015
  262    HB2  GLN  35           HB2      GLN  35  -8.657   7.091   9.304
  263    HB3  GLN  35           HB1      GLN  35  -8.787   5.331   9.328
  264    HG2  GLN  35           HG2      GLN  35  -6.315   5.254   8.875
  265    HG3  GLN  35           HG1      GLN  35  -6.292   6.993   9.162
  266   HE21  GLN  35          HE21      GLN  35  -6.705   3.861  10.606
  267   HE22  GLN  35          HE22      GLN  35  -6.582   4.385  12.255
  268    H    LEU  36           HN       LEU  36  -6.821   6.009   5.446
  269    HA   LEU  36           HA       LEU  36  -6.307   3.177   5.642
  270    HB2  LEU  36           HB2      LEU  36  -6.524   4.531   3.564
  271    HB3  LEU  36           HB1      LEU  36  -5.029   5.341   3.990
  272    HG   LEU  36           HG       LEU  36  -4.800   3.629   2.214
  273   HD11  LEU  36          HD11      LEU  36  -2.780   2.575   3.108
  274   HD12  LEU  36          HD12      LEU  36  -3.235   3.082   4.735
  275   HD13  LEU  36          HD13      LEU  36  -2.856   4.292   3.508
  276   HD21  LEU  36          HD21      LEU  36  -6.384   1.996   2.999
  277   HD22  LEU  36          HD22      LEU  36  -5.434   1.720   4.460
  278   HD23  LEU  36          HD23      LEU  36  -4.787   1.259   2.889
  279    H    LYS  37           HN       LYS  37  -4.774   2.338   6.915
  280    HA   LYS  37           HA       LYS  37  -2.430   4.030   7.653
  281    HB2  LYS  37           HB2      LYS  37  -2.445   2.850   9.867
  282    HB3  LYS  37           HB1      LYS  37  -3.822   3.922   9.635
  283    HG2  LYS  37           HG2      LYS  37  -5.318   2.149   9.408
  284    HG3  LYS  37           HG1      LYS  37  -4.034   0.988   9.072
  285    HD2  LYS  37           HD2      LYS  37  -3.222   1.300  11.402
  286    HD3  LYS  37           HD1      LYS  37  -4.625   2.329  11.707
  287    HE2  LYS  37           HE2      LYS  37  -6.125   0.499  11.263
  288    HE3  LYS  37           HE1      LYS  37  -4.784  -0.531  10.767
  289    HZ1  LYS  37           HZ1      LYS  37  -3.938  -0.503  12.999
  290    HZ2  LYS  37           HZ2      LYS  37  -5.558  -0.986  13.034
  291    HZ3  LYS  37           HZ3      LYS  37  -5.136   0.583  13.494
  292    H    ALA  38           HN       ALA  38  -1.053   3.056   6.285
  293    HA   ALA  38           HA       ALA  38  -0.811   0.134   6.282
  294    HB1  ALA  38           HB1      ALA  38  -0.905   1.230   4.104
  295    HB2  ALA  38           HB2      ALA  38   0.673   0.485   4.355
  296    HB3  ALA  38           HB3      ALA  38   0.485   2.229   4.530
  297    H    THR  39           HN       THR  39   0.602  -0.762   7.597
  298    HA   THR  39           HA       THR  39   2.686   0.916   8.777
  299    HB   THR  39           HB       THR  39   2.907  -0.851  10.470
  300    HG1  THR  39           HG1      THR  39   2.267  -2.580   9.026
  301   HG21  THR  39          HG21      THR  39   1.250   0.926  10.833
  302   HG22  THR  39          HG22      THR  39   0.717  -0.599  11.537
  303   HG23  THR  39          HG23      THR  39   0.029  -0.045  10.011
  304    H    SER  40           HN       SER  40   4.802   0.457   8.606
  305    HA   SER  40           HA       SER  40   5.532  -1.648   6.694
  306    HB2  SER  40           HB2      SER  40   5.975   0.632   5.886
  307    HB3  SER  40           HB1      SER  40   6.963   0.939   7.316
  308    HG   SER  40           HG       SER  40   8.171  -1.025   6.517
  309    H    SER  41           HN       SER  41   6.489  -3.302   7.550
  310    HA   SER  41           HA       SER  41   7.955  -2.988  10.046
  311    HB2  SER  41           HB2      SER  41   6.303  -4.847   9.818
  312    HB3  SER  41           HB1      SER  41   7.284  -5.518   8.519
  313    HG   SER  41           HG       SER  41   7.524  -6.119  10.983
  314    H    ASN  42           HN       ASN  42   9.858  -4.939   9.815
  315    HA   ASN  42           HA       ASN  42  12.013  -5.227   9.180
  316    HB2  ASN  42           HB2      ASN  42  10.717  -5.059   6.751
  317    HB3  ASN  42           HB1      ASN  42  11.958  -3.822   6.616
  318   HD21  ASN  42          HD21      ASN  42  14.093  -4.404   6.570
  319   HD22  ASN  42          HD22      ASN  42  14.617  -6.047   6.388
  320    H    ALA  43           HN       ALA  43  10.948  -2.850  10.471
  321    HA   ALA  43           HA       ALA  43  11.716  -0.935  11.389
  322    HB1  ALA  43           HB1      ALA  43  14.365  -1.896  10.333
  323    HB2  ALA  43           HB2      ALA  43  13.648  -2.312  11.889
  324    HB3  ALA  43           HB3      ALA  43  14.132  -0.649  11.556
  325    H    GLY  44           HN       GLY  44  10.759  -0.854   8.628
  326    HA2  GLY  44           HA2      GLY  44  10.272   1.050   7.375
  327    HA3  GLY  44           HA1      GLY  44  11.615   1.875   8.156
  328    H    TYR  45           HN       TYR  45  13.007  -0.882   7.227
  329    HA   TYR  45           HA       TYR  45  14.407   0.271   5.070
  330    HB2  TYR  45           HB2      TYR  45  14.211  -2.548   6.112
  331    HB3  TYR  45           HB1      TYR  45  15.168  -2.159   4.683
  332    HD1  TYR  45           HD1      TYR  45  14.881  -1.697   8.329
  333    HD2  TYR  45           HD2      TYR  45  17.256  -0.955   4.875
  334    HE1  TYR  45           HE1      TYR  45  16.769  -1.067   9.766
  335    HE2  TYR  45           HE2      TYR  45  19.146  -0.326   6.307
  336    HH   TYR  45           HH       TYR  45  19.517   0.514   8.607
  337    H    GLY  46           HN       GLY  46  14.542  -0.726   2.872
  338    HA2  GLY  46           HA2      GLY  46  11.856  -0.566   1.793
  339    HA3  GLY  46           HA1      GLY  46  13.356  -0.476   0.887
  340    H    ILE  47           HN       ILE  47  11.229  -1.897  -0.045
  341    HA   ILE  47           HA       ILE  47  11.254  -4.666   0.431
  342    HB   ILE  47           HB       ILE  47  10.812  -3.142  -2.124
  343   HG12  ILE  47          HG12      ILE  47   8.394  -4.053  -1.680
  344   HG13  ILE  47          HG11      ILE  47   8.963  -4.230  -0.022
  345   HG21  ILE  47          HG21      ILE  47  11.606  -5.358  -2.645
  346   HG22  ILE  47          HG22      ILE  47   9.910  -5.169  -3.108
  347   HG23  ILE  47          HG23      ILE  47  10.331  -6.070  -1.654
  348   HD11  ILE  47          HD11      ILE  47   7.772  -2.142  -0.333
  349   HD12  ILE  47          HD12      ILE  47   8.902  -1.671  -1.603
  350   HD13  ILE  47          HD13      ILE  47   9.466  -1.848   0.058
  351    H    SER  48           HN       SER  48  12.961  -2.659  -1.886
  352    HA   SER  48           HA       SER  48  14.763  -4.882  -2.380
  353    HB2  SER  48           HB2      SER  48  13.024  -4.761  -4.148
  354    HB3  SER  48           HB1      SER  48  13.523  -3.106  -4.495
  355    HG   SER  48           HG       SER  48  14.627  -5.462  -5.300
  356    H    TYR  49           HN       TYR  49  16.363  -3.719  -4.226
  357    HA   TYR  49           HA       TYR  49  17.341  -1.271  -2.944
  358    HB2  TYR  49           HB2      TYR  49  19.545  -2.141  -2.762
  359    HB3  TYR  49           HB1      TYR  49  18.463  -3.379  -2.138
  360    HD1  TYR  49           HD1      TYR  49  20.927  -2.628  -4.788
  361    HD2  TYR  49           HD2      TYR  49  18.003  -5.432  -3.421
  362    HE1  TYR  49           HE1      TYR  49  21.871  -4.338  -6.258
  363    HE2  TYR  49           HE2      TYR  49  18.957  -7.137  -4.904
  364    HH   TYR  49           HH       TYR  49  20.302  -7.227  -6.995
  365    H    GLU  50           HN       GLU  50  15.933  -2.223  -5.470
  366    HA   GLU  50           HA       GLU  50  17.696  -0.869  -7.397
  367    HB2  GLU  50           HB2      GLU  50  15.736  -3.082  -8.043
  368    HB3  GLU  50           HB1      GLU  50  16.889  -2.338  -9.143
  369    HG2  GLU  50           HG2      GLU  50  18.733  -3.309  -7.916
  370    HG3  GLU  50           HG1      GLU  50  17.612  -3.993  -6.733
  371    H    ASP  51           HN       ASP  51  16.453   0.077  -9.233
  372    HA   ASP  51           HA       ASP  51  14.331   1.672  -8.111
  373    HB2  ASP  51           HB2      ASP  51  15.758   1.729 -10.768
  374    HB3  ASP  51           HB1      ASP  51  14.406   2.798 -10.394
  375    H    LYS  52           HN       LYS  52  12.430   0.672  -7.956
  376    HA   LYS  52           HA       LYS  52  11.248  -0.315 -10.472
  377    HB2  LYS  52           HB2      LYS  52  10.562  -1.041  -7.625
  378    HB3  LYS  52           HB1      LYS  52   9.519  -1.409  -8.985
  379    HG2  LYS  52           HG2      LYS  52  10.634  -3.376  -8.608
  380    HG3  LYS  52           HG1      LYS  52  11.540  -2.662  -9.939
  381    HD2  LYS  52           HD2      LYS  52  13.274  -1.938  -8.447
  382    HD3  LYS  52           HD1      LYS  52  12.331  -2.423  -7.038
  383    HE2  LYS  52           HE2      LYS  52  13.449  -4.259  -9.156
  384    HE3  LYS  52           HE1      LYS  52  14.074  -4.055  -7.520
  385    HZ1  LYS  52           HZ1      LYS  52  12.755  -5.998  -7.526
  386    HZ2  LYS  52           HZ2      LYS  52  11.480  -5.233  -8.329
  387    HZ3  LYS  52           HZ3      LYS  52  11.836  -4.814  -6.727
  388    H    ASN  53           HN       ASN  53   9.341   0.574 -11.117
  389    HA   ASN  53           HA       ASN  53   8.554   3.014  -9.735
  390    HB2  ASN  53           HB2      ASN  53   6.913   3.130 -11.789
  391    HB3  ASN  53           HB1      ASN  53   8.616   3.553 -11.978
  392   HD21  ASN  53          HD21      ASN  53   6.171   1.152 -12.580
  393   HD22  ASN  53          HD22      ASN  53   7.043   0.300 -13.814
  394    H    TRP  54           HN       TRP  54   7.188   2.885  -8.198
  395    HA   TRP  54           HA       TRP  54   5.359   0.614  -8.069
  396    HB2  TRP  54           HB2      TRP  54   6.989   2.029  -6.185
  397    HB3  TRP  54           HB1      TRP  54   5.290   2.171  -5.719
  398    HD1  TRP  54           HD1      TRP  54   8.054  -0.433  -6.002
  399    HE1  TRP  54           HE1      TRP  54   7.148  -2.637  -4.981
  400    HE3  TRP  54           HE3      TRP  54   3.261   0.967  -5.408
  401    HZ2  TRP  54           HZ2      TRP  54   4.622  -3.615  -4.049
  402    HZ3  TRP  54           HZ3      TRP  54   1.648  -0.579  -4.498
  403    HH2  TRP  54           HH2      TRP  54   2.306  -2.837  -3.803
  404    H    GLY  55           HN       GLY  55   3.124   0.984  -7.141
  405    HA2  GLY  55           HA2      GLY  55   2.277   3.687  -6.856
  406    HA3  GLY  55           HA1      GLY  55   1.726   2.989  -8.351
  407    H    ILE  56           HN       ILE  56   0.206   4.053  -6.274
  408    HA   ILE  56           HA       ILE  56  -1.457   1.682  -5.655
  409    HB   ILE  56           HB       ILE  56  -1.147   4.183  -3.983
  410   HG12  ILE  56          HG12      ILE  56  -0.417   1.308  -3.413
  411   HG13  ILE  56          HG11      ILE  56   0.727   2.574  -3.865
  412   HG21  ILE  56          HG21      ILE  56  -3.435   3.431  -3.885
  413   HG22  ILE  56          HG22      ILE  56  -2.628   2.999  -2.376
  414   HG23  ILE  56          HG23      ILE  56  -2.918   1.769  -3.606
  415   HD11  ILE  56          HD11      ILE  56   0.189   3.798  -1.831
  416   HD12  ILE  56          HD12      ILE  56   0.758   2.168  -1.472
  417   HD13  ILE  56          HD13      ILE  56  -0.963   2.543  -1.378
  418    H    PHE  57           HN       PHE  57  -3.604   1.819  -6.163
  419    HA   PHE  57           HA       PHE  57  -4.556   4.349  -7.340
  420    HB2  PHE  57           HB2      PHE  57  -5.272   1.656  -8.484
  421    HB3  PHE  57           HB1      PHE  57  -5.423   3.241  -9.236
  422    HD1  PHE  57           HD1      PHE  57  -3.405   4.406 -10.070
  423    HD2  PHE  57           HD2      PHE  57  -3.259   0.420  -8.592
  424    HE1  PHE  57           HE1      PHE  57  -1.211   4.087 -11.136
  425    HE2  PHE  57           HE2      PHE  57  -1.065   0.101  -9.651
  426    HZ   PHE  57           HZ       PHE  57  -0.041   1.938 -10.918
  427    H    VAL  58           HN       VAL  58  -6.456   5.001  -6.529
  428    HA   VAL  58           HA       VAL  58  -8.103   3.046  -5.079
  429    HB   VAL  58           HB       VAL  58  -7.434   4.966  -3.712
  430   HG11  VAL  58          HG11      VAL  58  -8.266   7.220  -4.181
  431   HG12  VAL  58          HG12      VAL  58  -8.898   6.657  -5.727
  432   HG13  VAL  58          HG13      VAL  58  -7.160   6.655  -5.435
  433   HG21  VAL  58          HG21      VAL  58  -9.588   3.913  -3.278
  434   HG22  VAL  58          HG22      VAL  58 -10.364   5.023  -4.407
  435   HG23  VAL  58          HG23      VAL  58  -9.642   5.639  -2.922
  436    H    ASN  59           HN       ASN  59  -9.643   2.216  -6.253
  437    HA   ASN  59           HA       ASN  59 -11.281   1.929  -7.810
  438    HB2  ASN  59           HB2      ASN  59 -11.962   4.726  -6.883
  439    HB3  ASN  59           HB1      ASN  59 -13.042   3.685  -7.805
  440   HD21  ASN  59          HD21      ASN  59 -13.936   1.864  -6.806
  441   HD22  ASN  59          HD22      ASN  59 -13.968   1.691  -5.078
  442    H    GLY  60           HN       GLY  60  -8.894   2.634  -9.014
  443    HA2  GLY  60           HA2      GLY  60  -8.445   2.879 -11.299
  444    HA3  GLY  60           HA1      GLY  60  -9.958   3.751 -11.485
  445    H    GLU  61           HN       GLU  61  -8.663   5.284  -8.937
  446    HA   GLU  61           HA       GLU  61  -7.220   7.183 -10.667
  447    HB2  GLU  61           HB2      GLU  61  -8.883   7.552  -8.207
  448    HB3  GLU  61           HB1      GLU  61  -7.633   8.730  -8.597
  449    HG2  GLU  61           HG2      GLU  61  -9.648   9.564  -9.473
  450    HG3  GLU  61           HG1      GLU  61  -8.711   8.979 -10.845
  451    H    LYS  62           HN       LYS  62  -5.299   8.153  -9.920
  452    HA   LYS  62           HA       LYS  62  -3.592   6.328  -8.538
  453    HB2  LYS  62           HB2      LYS  62  -3.190   9.092  -9.663
  454    HB3  LYS  62           HB1      LYS  62  -1.901   8.202  -8.852
  455    HG2  LYS  62           HG2      LYS  62  -3.102   6.515 -10.813
  456    HG3  LYS  62           HG1      LYS  62  -2.693   8.067 -11.554
  457    HD2  LYS  62           HD2      LYS  62  -0.781   6.409  -9.907
  458    HD3  LYS  62           HD1      LYS  62  -0.870   6.366 -11.668
  459    HE2  LYS  62           HE2      LYS  62  -0.342   8.757 -11.748
  460    HE3  LYS  62           HE1      LYS  62  -0.245   8.792  -9.990
  461    HZ1  LYS  62           HZ1      LYS  62   1.482   7.119 -11.728
  462    HZ2  LYS  62           HZ2      LYS  62   1.627   7.319 -10.052
  463    HZ3  LYS  62           HZ3      LYS  62   1.932   8.618 -11.091
  464    H    VAL  63           HN       VAL  63  -2.949   6.293  -6.501
  465    HA   VAL  63           HA       VAL  63  -3.855   8.397  -4.669
  466    HB   VAL  63           HB       VAL  63  -2.829   5.661  -4.063
  467   HG11  VAL  63          HG11      VAL  63  -2.338   7.182  -2.252
  468   HG12  VAL  63          HG12      VAL  63  -3.621   6.070  -1.777
  469   HG13  VAL  63          HG13      VAL  63  -4.016   7.728  -2.233
  470   HG21  VAL  63          HG21      VAL  63  -4.996   5.585  -5.149
  471   HG22  VAL  63          HG22      VAL  63  -5.632   6.722  -3.959
  472   HG23  VAL  63          HG23      VAL  63  -5.122   5.112  -3.455
  473    H    TYR  64           HN       TYR  64  -1.067   6.260  -5.071
  474    HA   TYR  64           HA       TYR  64   0.769   8.438  -4.501
  475    HB2  TYR  64           HB2      TYR  64  -0.042   7.255  -2.319
  476    HB3  TYR  64           HB1      TYR  64   0.970   5.918  -2.859
  477    HD1  TYR  64           HD1      TYR  64   3.406   6.133  -2.863
  478    HD2  TYR  64           HD2      TYR  64   0.924   9.323  -1.542
  479    HE1  TYR  64           HE1      TYR  64   5.351   7.203  -1.812
  480    HE2  TYR  64           HE2      TYR  64   2.863  10.406  -0.492
  481    HH   TYR  64           HH       TYR  64   6.078   9.410  -1.076
  482    H    THR  65           HN       THR  65   2.864   7.980  -5.253
  483    HA   THR  65           HA       THR  65   3.228   5.395  -6.614
  484    HB   THR  65           HB       THR  65   3.824   8.133  -7.785
  485    HG1  THR  65           HG1      THR  65   1.594   7.484  -7.839
  486   HG21  THR  65          HG21      THR  65   4.485   6.963  -9.817
  487   HG22  THR  65          HG22      THR  65   4.224   5.412  -9.019
  488   HG23  THR  65          HG23      THR  65   5.504   6.486  -8.459
  489    H    PHE  66           HN       PHE  66   5.361   4.574  -6.321
  490    HA   PHE  66           HA       PHE  66   7.403   6.357  -5.296
  491    HB2  PHE  66           HB2      PHE  66   7.748   5.203  -3.180
  492    HB3  PHE  66           HB1      PHE  66   6.150   5.910  -3.290
  493    HD1  PHE  66           HD1      PHE  66   4.161   4.447  -3.561
  494    HD2  PHE  66           HD2      PHE  66   8.059   2.884  -2.861
  495    HE1  PHE  66           HE1      PHE  66   3.170   2.322  -2.797
  496    HE2  PHE  66           HE2      PHE  66   7.077   0.758  -2.117
  497    HZ   PHE  66           HZ       PHE  66   4.632   0.477  -2.081
  498    H    ASN  67           HN       ASN  67   9.133   4.546  -4.143
  499    HA   ASN  67           HA       ASN  67   9.818   2.745  -6.378
  500    HB2  ASN  67           HB2      ASN  67  11.080   4.983  -6.274
  501    HB3  ASN  67           HB1      ASN  67  11.830   4.364  -4.808
  502   HD21  ASN  67          HD21      ASN  67  13.071   5.134  -7.269
  503   HD22  ASN  67          HD22      ASN  67  13.909   3.748  -7.873
  504    H    GLU  68           HN       GLU  68  10.884   0.836  -5.792
  505    HA   GLU  68           HA       GLU  68  10.184  -0.188  -3.226
  506    HB2  GLU  68           HB2      GLU  68  11.333  -1.249  -5.693
  507    HB3  GLU  68           HB1      GLU  68  11.920  -2.043  -4.247
  508    HG2  GLU  68           HG2      GLU  68   9.703  -2.645  -3.595
  509    HG3  GLU  68           HG1      GLU  68   9.013  -1.700  -4.909
  510    H    LYS  69           HN       LYS  69  13.060   1.309  -4.374
  511    HA   LYS  69           HA       LYS  69  14.667   0.165  -2.235
  512    HB2  LYS  69           HB2      LYS  69  16.381   1.878  -3.213
  513    HB3  LYS  69           HB1      LYS  69  16.005   0.404  -4.096
  514    HG2  LYS  69           HG2      LYS  69  14.771   1.509  -5.690
  515    HG3  LYS  69           HG1      LYS  69  14.463   2.897  -4.643
  516    HD2  LYS  69           HD2      LYS  69  16.041   3.483  -6.413
  517    HD3  LYS  69           HD1      LYS  69  16.838   3.531  -4.842
  518    HE2  LYS  69           HE2      LYS  69  17.897   1.421  -5.240
  519    HE3  LYS  69           HE1      LYS  69  16.982   1.193  -6.730
  520    HZ1  LYS  69           HZ1      LYS  69  18.889   3.423  -6.299
  521    HZ2  LYS  69           HZ2      LYS  69  18.142   2.979  -7.754
  522    HZ3  LYS  69           HZ3      LYS  69  19.304   1.968  -7.051
  523    H    SER  70           HN       SER  70  12.345   2.331  -2.198
  524    HA   SER  70           HA       SER  70  13.647   4.346  -0.551
  525    HB2  SER  70           HB2      SER  70  10.739   3.997  -1.335
  526    HB3  SER  70           HB1      SER  70  11.421   5.401  -0.508
  527    HG   SER  70           HG       SER  70  12.821   4.826  -2.746
  528    H    THR  71           HN       THR  71  12.548   4.862   1.597
  529    HA   THR  71           HA       THR  71  12.448   2.467   3.151
  530    HB   THR  71           HB       THR  71  11.825   4.305   4.957
  531    HG1  THR  71           HG1      THR  71  13.333   6.012   3.356
  532   HG21  THR  71          HG21      THR  71  14.227   4.743   5.281
  533   HG22  THR  71          HG22      THR  71  14.550   4.086   3.678
  534   HG23  THR  71          HG23      THR  71  13.905   3.042   4.944
  535    H    VAL  72           HN       VAL  72  10.667   1.299   3.069
  536    HA   VAL  72           HA       VAL  72   8.228   2.164   2.035
  537    HB   VAL  72           HB       VAL  72   8.187  -0.154   3.908
  538   HG11  VAL  72          HG11      VAL  72   6.266   0.437   2.495
  539   HG12  VAL  72          HG12      VAL  72   6.899  -1.174   2.150
  540   HG13  VAL  72          HG13      VAL  72   7.259   0.166   1.058
  541   HG21  VAL  72          HG21      VAL  72   9.813  -0.101   1.370
  542   HG22  VAL  72          HG22      VAL  72   9.265  -1.580   2.160
  543   HG23  VAL  72          HG23      VAL  72  10.362  -0.490   3.003
  544    H    GLY  73           HN       GLY  73   9.558   2.646   5.093
  545    HA2  GLY  73           HA2      GLY  73   6.999   2.769   6.502
  546    HA3  GLY  73           HA1      GLY  73   8.592   3.079   7.198
  547    H    ASN  74           HN       ASN  74   9.403   4.934   5.159
  548    HA   ASN  74           HA       ASN  74   8.037   7.296   6.066
  549    HB2  ASN  74           HB2      ASN  74  10.270   6.789   4.107
  550    HB3  ASN  74           HB1      ASN  74   9.569   8.391   4.321
  551   HD21  ASN  74          HD21      ASN  74  12.206   6.942   5.006
  552   HD22  ASN  74          HD22      ASN  74  12.516   7.469   6.635
  553    H    ILE  75           HN       ILE  75   8.011   5.190   3.317
  554    HA   ILE  75           HA       ILE  75   6.399   6.824   1.636
  555    HB   ILE  75           HB       ILE  75   6.809   3.831   1.652
  556   HG12  ILE  75          HG12      ILE  75   8.867   5.065   1.217
  557   HG13  ILE  75          HG11      ILE  75   8.313   4.274  -0.257
  558   HG21  ILE  75          HG21      ILE  75   4.722   4.365   0.554
  559   HG22  ILE  75          HG22      ILE  75   5.923   3.877  -0.642
  560   HG23  ILE  75          HG23      ILE  75   5.525   5.583  -0.435
  561   HD11  ILE  75          HD11      ILE  75   9.120   6.485  -0.754
  562   HD12  ILE  75          HD12      ILE  75   8.022   7.190   0.431
  563   HD13  ILE  75          HD13      ILE  75   7.378   6.419  -1.019
  564    H    SER  76           HN       SER  76   5.636   3.953   3.621
  565    HA   SER  76           HA       SER  76   2.917   3.944   3.032
  566    HB2  SER  76           HB2      SER  76   2.686   2.479   5.043
  567    HB3  SER  76           HB1      SER  76   3.921   1.957   3.892
  568    HG   SER  76           HG       SER  76   5.471   2.493   5.267
  569    H    ASN  77           HN       ASN  77   4.477   5.141   5.970
  570    HA   ASN  77           HA       ASN  77   1.975   5.913   7.053
  571    HB2  ASN  77           HB2      ASN  77   4.678   5.884   8.023
  572    HB3  ASN  77           HB1      ASN  77   3.880   7.395   8.463
  573   HD21  ASN  77          HD21      ASN  77   1.192   6.156   8.524
  574   HD22  ASN  77          HD22      ASN  77   1.141   5.195   9.968
  575    H    ASP  78           HN       ASP  78   4.129   7.624   4.911
  576    HA   ASP  78           HA       ASP  78   3.018  10.202   5.311
  577    HB2  ASP  78           HB2      ASP  78   4.389   8.859   3.044
  578    HB3  ASP  78           HB1      ASP  78   3.405  10.265   2.663
  579    H    ILE  79           HN       ILE  79   2.147   7.520   3.208
  580    HA   ILE  79           HA       ILE  79  -0.167   8.488   2.039
  581    HB   ILE  79           HB       ILE  79   0.400   5.675   3.004
  582   HG12  ILE  79          HG12      ILE  79   0.815   6.925   0.279
  583   HG13  ILE  79          HG11      ILE  79   2.092   6.551   1.438
  584   HG21  ILE  79          HG21      ILE  79  -1.964   5.966   2.569
  585   HG22  ILE  79          HG22      ILE  79  -1.233   4.962   1.317
  586   HG23  ILE  79          HG23      ILE  79  -1.612   6.651   0.983
  587   HD11  ILE  79          HD11      ILE  79   0.237   4.520   0.217
  588   HD12  ILE  79          HD12      ILE  79   1.628   4.200   1.255
  589   HD13  ILE  79          HD13      ILE  79   1.869   4.876  -0.357
  590    H    ASN  80           HN       ASN  80   0.434   7.377   5.273
  591    HA   ASN  80           HA       ASN  80  -2.387   7.140   5.832
  592    HB2  ASN  80           HB2      ASN  80  -0.161   6.783   7.828
  593    HB3  ASN  80           HB1      ASN  80  -1.788   6.120   7.896
  594   HD21  ASN  80          HD21      ASN  80   0.809   4.799   8.053
  595   HD22  ASN  80          HD22      ASN  80   0.865   3.639   6.771
  596    H    LYS  81           HN       LYS  81   0.213   9.386   6.421
  597    HA   LYS  81           HA       LYS  81  -0.954  11.001   8.382
  598    HB2  LYS  81           HB2      LYS  81   0.516  11.915   5.891
  599    HB3  LYS  81           HB1      LYS  81   0.226  12.895   7.324
  600    HG2  LYS  81           HG2      LYS  81   1.666  11.507   8.634
  601    HG3  LYS  81           HG1      LYS  81   1.849  10.362   7.303
  602    HD2  LYS  81           HD2      LYS  81   2.836  12.237   5.961
  603    HD3  LYS  81           HD1      LYS  81   2.826  13.208   7.433
  604    HE2  LYS  81           HE2      LYS  81   4.249  10.572   7.094
  605    HE3  LYS  81           HE1      LYS  81   5.010  12.157   6.989
  606    HZ1  LYS  81           HZ1      LYS  81   3.676  11.009   9.382
  607    HZ2  LYS  81           HZ2      LYS  81   4.337  12.562   9.293
  608    HZ3  LYS  81           HZ3      LYS  81   5.341  11.209   9.163
  609    H    LEU  82           HN       LEU  82  -1.474  10.689   4.972
  610    HA   LEU  82           HA       LEU  82  -3.248  12.797   4.506
  611    HB2  LEU  82           HB2      LEU  82  -3.496  10.185   3.069
  612    HB3  LEU  82           HB1      LEU  82  -3.598  11.818   2.428
  613    HG   LEU  82           HG       LEU  82  -1.063  10.364   3.268
  614   HD11  LEU  82          HD11      LEU  82  -0.516  10.506   0.887
  615   HD12  LEU  82          HD12      LEU  82  -2.076  11.262   0.560
  616   HD13  LEU  82          HD13      LEU  82  -2.008   9.600   1.146
  617   HD21  LEU  82          HD21      LEU  82  -0.901  12.754   3.771
  618   HD22  LEU  82          HD22      LEU  82  -1.441  13.155   2.141
  619   HD23  LEU  82          HD23      LEU  82   0.106  12.345   2.382
  620    H    ASN  83           HN       ASN  83  -3.675   9.812   6.143
  621    HA   ASN  83           HA       ASN  83  -5.497   8.481   6.635
  622    HB2  ASN  83           HB2      ASN  83  -5.761  11.132   7.757
  623    HB3  ASN  83           HB1      ASN  83  -7.327  10.348   7.562
  624   HD21  ASN  83          HD21      ASN  83  -4.417   8.446   8.048
  625   HD22  ASN  83          HD22      ASN  83  -4.797   7.953   9.668
  626    H    ILE  84           HN       ILE  84  -5.950   7.832   4.551
  627    HA   ILE  84           HA       ILE  84  -7.861   9.393   3.021
  628    HB   ILE  84           HB       ILE  84  -7.346   7.409   1.356
  629   HG12  ILE  84          HG12      ILE  84  -4.988   7.418   3.203
  630   HG13  ILE  84          HG11      ILE  84  -5.983   6.076   2.639
  631   HG21  ILE  84          HG21      ILE  84  -5.560   8.823   0.372
  632   HG22  ILE  84          HG22      ILE  84  -5.541   9.774   1.857
  633   HG23  ILE  84          HG23      ILE  84  -6.984   9.745   0.847
  634   HD11  ILE  84          HD11      ILE  84  -4.089   7.673   0.946
  635   HD12  ILE  84          HD12      ILE  84  -5.106   6.347   0.387
  636   HD13  ILE  84          HD13      ILE  84  -3.825   6.041   1.559
  637    H    LYS  85           HN       LYS  85  -9.718   8.672   2.245
  638    HA   LYS  85           HA       LYS  85 -11.135   6.696   3.778
  639    HB2  LYS  85           HB2      LYS  85 -13.037   7.431   2.232
  640    HB3  LYS  85           HB1      LYS  85 -12.333   8.677   3.263
  641    HG2  LYS  85           HG2      LYS  85 -12.538   9.715   1.171
  642    HG3  LYS  85           HG1      LYS  85 -10.832   9.263   1.271
  643    HD2  LYS  85           HD2      LYS  85 -12.078   7.065   0.109
  644    HD3  LYS  85           HD1      LYS  85 -12.831   8.468  -0.652
  645    HE2  LYS  85           HE2      LYS  85  -9.850   8.016  -0.409
  646    HE3  LYS  85           HE1      LYS  85 -10.812   7.672  -1.852
  647    HZ1  LYS  85           HZ1      LYS  85 -10.495  10.351  -0.603
  648    HZ2  LYS  85           HZ2      LYS  85 -11.381  10.010  -2.001
  649    HZ3  LYS  85           HZ3      LYS  85  -9.703   9.818  -1.999
  650    H    GLY  86           HN       GLY  86  -9.023   6.232   1.498
  651    HA2  GLY  86           HA2      GLY  86 -10.223   5.221  -0.780
  652    HA3  GLY  86           HA1      GLY  86  -8.624   4.792  -0.211
  653    HA   PRO  87           HA       PRO  87 -11.826   1.409   1.003
  654    HB2  PRO  87           HB2      PRO  87 -13.745   0.971  -0.801
  655    HB3  PRO  87           HB1      PRO  87 -13.899   2.268   0.396
  656    HG2  PRO  87           HG2      PRO  87 -13.072   2.425  -2.478
  657    HG3  PRO  87           HG1      PRO  87 -14.181   3.481  -1.576
  658    HD2  PRO  87           HD2      PRO  87 -11.540   4.076  -2.076
  659    HD3  PRO  87           HD1      PRO  87 -12.464   4.726  -0.704
  660    H    TYR  88           HN       TYR  88 -11.586   1.655  -2.567
  661    HA   TYR  88           HA       TYR  88 -10.319  -0.981  -2.533
  662    HB2  TYR  88           HB2      TYR  88 -12.381  -0.905  -3.865
  663    HB3  TYR  88           HB1      TYR  88 -11.720   0.421  -4.820
  664    HD1  TYR  88           HD1      TYR  88 -11.249  -3.177  -3.996
  665    HD2  TYR  88           HD2      TYR  88 -10.365  -0.010  -6.700
  666    HE1  TYR  88           HE1      TYR  88 -10.282  -4.796  -5.572
  667    HE2  TYR  88           HE2      TYR  88  -9.397  -1.624  -8.282
  668    HH   TYR  88           HH       TYR  88  -8.444  -3.829  -8.327
  669    H    ILE  89           HN       ILE  89  -8.224  -0.543  -2.284
  670    HA   ILE  89           HA       ILE  89  -7.011   1.273  -4.245
  671    HB   ILE  89           HB       ILE  89  -5.158   1.591  -2.593
  672   HG12  ILE  89          HG12      ILE  89  -7.142   0.318  -0.690
  673   HG13  ILE  89          HG11      ILE  89  -5.600  -0.378  -1.200
  674   HG21  ILE  89          HG21      ILE  89  -7.903   2.518  -1.763
  675   HG22  ILE  89          HG22      ILE  89  -6.843   3.295  -2.938
  676   HG23  ILE  89          HG23      ILE  89  -6.378   3.233  -1.239
  677   HD11  ILE  89          HD11      ILE  89  -5.428   0.606   1.005
  678   HD12  ILE  89          HD12      ILE  89  -5.965   2.162   0.370
  679   HD13  ILE  89          HD13      ILE  89  -4.420   1.482  -0.148
  680    H    GLU  90           HN       GLU  90  -5.721   0.374  -5.619
  681    HA   GLU  90           HA       GLU  90  -4.775  -2.342  -5.139
  682    HB2  GLU  90           HB2      GLU  90  -4.678  -0.640  -7.625
  683    HB3  GLU  90           HB1      GLU  90  -4.208  -2.335  -7.516
  684    HG2  GLU  90           HG2      GLU  90  -6.526  -2.880  -6.840
  685    HG3  GLU  90           HG1      GLU  90  -6.961  -1.192  -7.102
  686    H    ILE  91           HN       ILE  91  -2.986  -2.358  -4.002
  687    HA   ILE  91           HA       ILE  91  -0.906  -0.387  -4.545
  688    HB   ILE  91           HB       ILE  91  -1.096  -2.444  -2.336
  689   HG12  ILE  91          HG12      ILE  91  -1.949   0.430  -2.502
  690   HG13  ILE  91          HG11      ILE  91  -2.860  -0.961  -1.919
  691   HG21  ILE  91          HG21      ILE  91   0.625  -1.074  -1.213
  692   HG22  ILE  91          HG22      ILE  91   0.778  -0.116  -2.684
  693   HG23  ILE  91          HG23      ILE  91   1.193  -1.825  -2.697
  694   HD11  ILE  91          HD11      ILE  91  -2.240   0.476  -0.084
  695   HD12  ILE  91          HD12      ILE  91  -0.537   0.369  -0.540
  696   HD13  ILE  91          HD13      ILE  91  -1.387  -1.063   0.045
  697    H    LYS  92           HN       LYS  92   0.166  -1.024  -6.355
  698    HA   LYS  92           HA       LYS  92   1.928  -3.255  -6.163
  699    HB2  LYS  92           HB2      LYS  92   1.138  -4.717  -7.775
  700    HB3  LYS  92           HB1      LYS  92  -0.365  -4.210  -7.013
  701    HG2  LYS  92           HG2      LYS  92   0.581  -2.676  -9.368
  702    HG3  LYS  92           HG1      LYS  92  -0.062  -4.297  -9.640
  703    HD2  LYS  92           HD2      LYS  92  -2.099  -3.567  -8.320
  704    HD3  LYS  92           HD1      LYS  92  -1.455  -1.922  -8.415
  705    HE2  LYS  92           HE2      LYS  92  -1.578  -1.916 -10.784
  706    HE3  LYS  92           HE1      LYS  92  -1.901  -3.648 -10.838
  707    HZ1  LYS  92           HZ1      LYS  92  -3.735  -1.605  -9.703
  708    HZ2  LYS  92           HZ2      LYS  92  -4.047  -3.262  -9.834
  709    HZ3  LYS  92           HZ3      LYS  92  -3.889  -2.317 -11.226
  710    H    GLN  93           HN       GLN  93   3.586  -3.129  -7.754
  711    HA   GLN  93           HA       GLN  93   3.881  -0.457  -8.739
  712    HB2  GLN  93           HB2      GLN  93   6.124  -1.197  -9.490
  713    HB3  GLN  93           HB1      GLN  93   5.813  -1.467  -7.788
  714    HG2  GLN  93           HG2      GLN  93   6.843  -3.427  -8.374
  715    HG3  GLN  93           HG1      GLN  93   5.146  -3.863  -8.591
  716   HE21  GLN  93          HE21      GLN  93   6.991  -1.798 -10.750
  717   HE22  GLN  93          HE22      GLN  93   6.955  -2.876 -12.100
  718    H    ILE  94           HN       ILE  94   4.863  -0.192 -10.997
  719    HA   ILE  94           HA       ILE  94   2.814  -1.320 -12.782
  720    HB   ILE  94           HB       ILE  94   3.105   1.067 -13.859
  721   HG12  ILE  94          HG12      ILE  94   4.315   1.299 -11.136
  722   HG13  ILE  94          HG11      ILE  94   4.769   2.109 -12.628
  723   HG21  ILE  94          HG21      ILE  94   1.251   1.870 -12.484
  724   HG22  ILE  94          HG22      ILE  94   1.563   0.580 -11.322
  725   HG23  ILE  94          HG23      ILE  94   1.030   0.185 -12.957
  726   HD11  ILE  94          HD11      ILE  94   2.408   2.758 -10.888
  727   HD12  ILE  94          HD12      ILE  94   2.826   3.578 -12.395
  728   HD13  ILE  94          HD13      ILE  94   3.911   3.672 -11.004
  Start of MODEL    2
    1    H    ASP   1           HT1      ASP   1 -21.055  -5.753   6.178
    2    HA   ASP   1           HA       ASP   1 -18.961  -7.585   5.175
    3    HB2  ASP   1           HB2      ASP   1 -21.813  -8.133   6.026
    4    HB3  ASP   1           HB1      ASP   1 -20.723  -9.311   5.302
    5    H    ASN   2           HN       ASN   2 -18.816  -6.215   3.318
    6    HA   ASN   2           HA       ASN   2 -21.030  -6.563   1.433
    7    HB2  ASN   2           HB2      ASN   2 -19.673  -3.909   1.966
    8    HB3  ASN   2           HB1      ASN   2 -20.819  -4.218   0.667
    9   HD21  ASN   2          HD21      ASN   2 -20.400  -3.640   4.035
   10   HD22  ASN   2          HD22      ASN   2 -22.077  -3.478   4.433
   11    H    GLN   3           HN       GLN   3 -17.666  -6.119   2.124
   12    HA   GLN   3           HA       GLN   3 -16.853  -6.142  -0.633
   13    HB2  GLN   3           HB2      GLN   3 -15.395  -6.261   1.982
   14    HB3  GLN   3           HB1      GLN   3 -14.563  -6.662   0.486
   15    HG2  GLN   3           HG2      GLN   3 -14.109  -4.403   0.811
   16    HG3  GLN   3           HG1      GLN   3 -15.400  -4.428  -0.383
   17   HE21  GLN   3          HE21      GLN   3 -16.057  -2.355   0.090
   18   HE22  GLN   3          HE22      GLN   3 -16.889  -1.958   1.558
   19    H    LYS   4           HN       LYS   4 -18.355  -8.332   0.978
   20    HA   LYS   4           HA       LYS   4 -16.935 -10.729   0.625
   21    HB2  LYS   4           HB2      LYS   4 -19.078 -10.343   1.947
   22    HB3  LYS   4           HB1      LYS   4 -19.927 -10.384   0.408
   23    HG2  LYS   4           HG2      LYS   4 -19.203 -12.653   0.013
   24    HG3  LYS   4           HG1      LYS   4 -18.237 -12.630   1.486
   25    HD2  LYS   4           HD2      LYS   4 -21.238 -12.334   1.354
   26    HD3  LYS   4           HD1      LYS   4 -20.375 -13.808   1.793
   27    HE2  LYS   4           HE2      LYS   4 -20.333 -11.184   3.282
   28    HE3  LYS   4           HE1      LYS   4 -21.142 -12.665   3.786
   29    HZ1  LYS   4           HZ1      LYS   4 -18.940 -13.738   3.869
   30    HZ2  LYS   4           HZ2      LYS   4 -19.084 -12.454   4.956
   31    HZ3  LYS   4           HZ3      LYS   4 -18.215 -12.251   3.521
   32    H    ALA   5           HN       ALA   5 -19.017  -8.824  -1.476
   33    HA   ALA   5           HA       ALA   5 -18.584 -10.629  -3.708
   34    HB1  ALA   5           HB1      ALA   5 -20.076  -9.159  -4.950
   35    HB2  ALA   5           HB2      ALA   5 -20.090  -8.023  -3.602
   36    HB3  ALA   5           HB3      ALA   5 -20.798  -9.627  -3.411
   37    H    LEU   6           HN       LEU   6 -17.955  -7.260  -2.914
   38    HA   LEU   6           HA       LEU   6 -16.121  -6.997  -5.161
   39    HB2  LEU   6           HB2      LEU   6 -16.992  -4.988  -3.080
   40    HB3  LEU   6           HB1      LEU   6 -15.994  -4.632  -4.481
   41    HG   LEU   6           HG       LEU   6 -18.839  -5.632  -4.626
   42   HD11  LEU   6          HD11      LEU   6 -17.729  -2.848  -4.951
   43   HD12  LEU   6          HD12      LEU   6 -18.763  -3.413  -3.639
   44   HD13  LEU   6          HD13      LEU   6 -19.388  -3.337  -5.285
   45   HD21  LEU   6          HD21      LEU   6 -17.475  -6.203  -6.572
   46   HD22  LEU   6          HD22      LEU   6 -16.998  -4.514  -6.738
   47   HD23  LEU   6          HD23      LEU   6 -18.682  -4.983  -6.970
   48    H    GLU   7           HN       GLU   7 -14.023  -7.469  -4.934
   49    HA   GLU   7           HA       GLU   7 -12.953  -8.118  -2.369
   50    HB2  GLU   7           HB2      GLU   7 -11.549  -7.936  -5.031
   51    HB3  GLU   7           HB1      GLU   7 -10.886  -8.658  -3.575
   52    HG2  GLU   7           HG2      GLU   7 -11.594 -10.472  -4.810
   53    HG3  GLU   7           HG1      GLU   7 -12.909 -10.221  -3.668
   54    H    GLU   8           HN       GLU   8 -13.632  -5.260  -2.783
   55    HA   GLU   8           HA       GLU   8 -11.510  -3.589  -3.373
   56    HB2  GLU   8           HB2      GLU   8 -13.493  -3.026  -1.173
   57    HB3  GLU   8           HB1      GLU   8 -12.720  -1.876  -2.253
   58    HG2  GLU   8           HG2      GLU   8 -13.993  -2.768  -4.126
   59    HG3  GLU   8           HG1      GLU   8 -14.753  -3.941  -3.056
   60    H    GLN   9           HN       GLN   9 -12.574  -4.542  -0.134
   61    HA   GLN   9           HA       GLN   9  -9.914  -3.930   0.930
   62    HB2  GLN   9           HB2      GLN   9 -12.639  -3.984   2.058
   63    HB3  GLN   9           HB1      GLN   9 -11.389  -4.618   3.115
   64    HG2  GLN   9           HG2      GLN   9 -11.382  -2.438   3.743
   65    HG3  GLN   9           HG1      GLN   9 -10.157  -2.397   2.483
   66   HE21  GLN   9          HE21      GLN   9 -12.189  -2.581   0.341
   67   HE22  GLN   9          HE22      GLN   9 -12.909  -1.009   0.262
   68    H    MET  10           HN       MET  10 -10.731  -6.437  -0.624
   69    HA   MET  10           HA       MET  10 -10.132  -8.399   1.487
   70    HB2  MET  10           HB2      MET  10 -11.926  -8.693  -0.912
   71    HB3  MET  10           HB1      MET  10 -11.396 -10.054   0.059
   72    HG2  MET  10           HG2      MET  10 -12.696  -7.774   1.437
   73    HG3  MET  10           HG1      MET  10 -13.701  -8.855   0.477
   74    HE1  MET  10           HE1      MET  10 -11.276  -8.494   3.493
   75    HE2  MET  10           HE2      MET  10 -10.459  -9.844   2.701
   76    HE3  MET  10           HE3      MET  10 -11.298 -10.095   4.231
   77    H    ASN  11           HN       ASN  11 -10.113 -10.450  -0.763
   78    HA   ASN  11           HA       ASN  11  -7.509 -11.092  -0.627
   79    HB2  ASN  11           HB2      ASN  11  -9.434 -11.642  -2.876
   80    HB3  ASN  11           HB1      ASN  11  -7.854 -12.406  -2.755
   81   HD21  ASN  11          HD21      ASN  11  -8.708 -14.443  -2.560
   82   HD22  ASN  11          HD22      ASN  11  -9.517 -14.988  -1.132
   83    H    SER  12           HN       SER  12  -8.871  -8.982  -3.136
   84    HA   SER  12           HA       SER  12  -6.723  -8.907  -4.876
   85    HB2  SER  12           HB2      SER  12  -8.608  -6.649  -4.158
   86    HB3  SER  12           HB1      SER  12  -7.585  -6.713  -5.597
   87    HG   SER  12           HG       SER  12  -9.832  -7.427  -5.855
   88    H    ILE  13           HN       ILE  13  -7.203  -7.082  -1.879
   89    HA   ILE  13           HA       ILE  13  -4.692  -5.674  -2.330
   90    HB   ILE  13           HB       ILE  13  -6.762  -4.489  -1.508
   91   HG12  ILE  13          HG12      ILE  13  -4.209  -3.865  -1.183
   92   HG13  ILE  13          HG11      ILE  13  -5.492  -2.875  -0.504
   93   HG21  ILE  13          HG21      ILE  13  -7.572  -6.089   0.100
   94   HG22  ILE  13          HG22      ILE  13  -7.225  -4.561   0.912
   95   HG23  ILE  13          HG23      ILE  13  -6.104  -5.913   1.062
   96   HD11  ILE  13          HD11      ILE  13  -5.171  -3.962   1.658
   97   HD12  ILE  13          HD12      ILE  13  -3.692  -3.196   1.078
   98   HD13  ILE  13          HD13      ILE  13  -3.882  -4.946   0.965
   99    H    ASN  14           HN       ASN  14  -6.038  -8.191  -0.281
  100    HA   ASN  14           HA       ASN  14  -3.914  -8.225   1.616
  101    HB2  ASN  14           HB2      ASN  14  -5.908 -10.321   0.857
  102    HB3  ASN  14           HB1      ASN  14  -4.775 -10.509   2.180
  103   HD21  ASN  14          HD21      ASN  14  -4.978  -9.173   4.005
  104   HD22  ASN  14          HD22      ASN  14  -6.473  -8.390   4.380
  105    H    SER  15           HN       SER  15  -4.480  -9.924  -1.420
  106    HA   SER  15           HA       SER  15  -2.327 -11.713  -1.298
  107    HB2  SER  15           HB2      SER  15  -4.016 -11.870  -3.052
  108    HB3  SER  15           HB1      SER  15  -3.538 -10.299  -3.692
  109    HG   SER  15           HG       SER  15  -1.967 -12.668  -3.624
  110    H    VAL  16           HN       VAL  16  -2.520  -8.319  -2.072
  111    HA   VAL  16           HA       VAL  16   0.190  -8.027  -2.886
  112    HB   VAL  16           HB       VAL  16  -1.700  -5.929  -1.801
  113   HG11  VAL  16          HG11      VAL  16   0.832  -5.672  -3.421
  114   HG12  VAL  16          HG12      VAL  16   0.608  -5.188  -1.739
  115   HG13  VAL  16          HG13      VAL  16  -0.263  -4.348  -3.022
  116   HG21  VAL  16          HG21      VAL  16  -2.155  -5.410  -4.150
  117   HG22  VAL  16          HG22      VAL  16  -2.633  -7.059  -3.745
  118   HG23  VAL  16          HG23      VAL  16  -1.143  -6.767  -4.642
  119    H    ASN  17           HN       ASN  17  -1.540  -7.856   0.215
  120    HA   ASN  17           HA       ASN  17   0.530  -6.731   1.767
  121    HB2  ASN  17           HB2      ASN  17  -1.752  -8.574   2.386
  122    HB3  ASN  17           HB1      ASN  17  -0.530  -8.274   3.614
  123   HD21  ASN  17          HD21      ASN  17  -2.998  -6.830   1.627
  124   HD22  ASN  17          HD22      ASN  17  -3.233  -5.429   2.614
  125    H    ASP  18           HN       ASP  18  -0.162 -10.090   0.916
  126    HA   ASP  18           HA       ASP  18   1.966 -11.222   2.411
  127    HB2  ASP  18           HB2      ASP  18   0.337 -12.293   0.105
  128    HB3  ASP  18           HB1      ASP  18   1.547 -13.247   0.958
  129    H    LYS  19           HN       LYS  19   1.733  -9.889  -0.794
  130    HA   LYS  19           HA       LYS  19   4.174 -11.117  -1.716
  131    HB2  LYS  19           HB2      LYS  19   2.343 -10.661  -3.282
  132    HB3  LYS  19           HB1      LYS  19   2.465  -8.941  -2.941
  133    HG2  LYS  19           HG2      LYS  19   4.583  -8.792  -3.994
  134    HG3  LYS  19           HG1      LYS  19   4.727 -10.550  -4.096
  135    HD2  LYS  19           HD2      LYS  19   4.136  -9.553  -6.255
  136    HD3  LYS  19           HD1      LYS  19   2.873 -10.630  -5.666
  137    HE2  LYS  19           HE2      LYS  19   1.572  -8.725  -4.909
  138    HE3  LYS  19           HE1      LYS  19   2.858  -7.625  -5.408
  139    HZ1  LYS  19           HZ1      LYS  19   1.388  -9.422  -7.254
  140    HZ2  LYS  19           HZ2      LYS  19   2.510  -8.233  -7.679
  141    HZ3  LYS  19           HZ3      LYS  19   1.018  -7.790  -7.018
  142    H    LEU  20           HN       LEU  20   3.109  -8.022  -0.483
  143    HA   LEU  20           HA       LEU  20   5.565  -6.643  -0.833
  144    HB2  LEU  20           HB2      LEU  20   3.255  -6.232   1.053
  145    HB3  LEU  20           HB1      LEU  20   4.610  -5.120   0.931
  146    HG   LEU  20           HG       LEU  20   2.630  -5.781  -1.255
  147   HD11  LEU  20          HD11      LEU  20   1.920  -4.305   0.679
  148   HD12  LEU  20          HD12      LEU  20   1.761  -3.624  -0.936
  149   HD13  LEU  20          HD13      LEU  20   3.107  -3.142   0.093
  150   HD21  LEU  20          HD21      LEU  20   4.839  -5.417  -2.193
  151   HD22  LEU  20          HD22      LEU  20   5.013  -3.929  -1.263
  152   HD23  LEU  20          HD23      LEU  20   3.799  -4.037  -2.535
  153    H    ASN  21           HN       ASN  21   4.249  -8.706   1.655
  154    HA   ASN  21           HA       ASN  21   6.449  -8.319   3.464
  155    HB2  ASN  21           HB2      ASN  21   4.003 -10.024   3.370
  156    HB3  ASN  21           HB1      ASN  21   5.334 -10.563   4.394
  157   HD21  ASN  21          HD21      ASN  21   2.962  -7.989   3.867
  158   HD22  ASN  21          HD22      ASN  21   3.101  -7.325   5.459
  159    H    LYS  22           HN       LYS  22   7.782  -8.694   1.363
  160    HA   LYS  22           HA       LYS  22   8.255 -11.465   0.696
  161    HB2  LYS  22           HB2      LYS  22   9.943 -10.419  -0.924
  162    HB3  LYS  22           HB1      LYS  22   8.237 -10.092  -1.197
  163    HG2  LYS  22           HG2      LYS  22   9.375  -8.054  -1.552
  164    HG3  LYS  22           HG1      LYS  22   8.577  -7.903   0.009
  165    HD2  LYS  22           HD2      LYS  22  11.023  -8.911   0.711
  166    HD3  LYS  22           HD1      LYS  22  11.427  -7.879  -0.661
  167    HE2  LYS  22           HE2      LYS  22  11.492  -6.784   1.621
  168    HE3  LYS  22           HE1      LYS  22  10.523  -5.947   0.413
  169    HZ1  LYS  22           HZ1      LYS  22   9.482  -7.786   2.491
  170    HZ2  LYS  22           HZ2      LYS  22   8.546  -6.946   1.354
  171    HZ3  LYS  22           HZ3      LYS  22   9.408  -6.098   2.536
  172    H    GLY  23           HN       GLY  23   9.250  -9.898   3.286
  173    HA2  GLY  23           HA2      GLY  23  10.923 -11.272   4.545
  174    HA3  GLY  23           HA1      GLY  23  11.978 -11.010   3.159
  175    H    LYS  24           HN       LYS  24  12.463  -8.742   2.634
  176    HA   LYS  24           HA       LYS  24  13.236  -7.283   4.968
  177    HB2  LYS  24           HB2      LYS  24  13.514  -6.807   2.017
  178    HB3  LYS  24           HB1      LYS  24  14.018  -5.605   3.199
  179    HG2  LYS  24           HG2      LYS  24  15.596  -7.133   4.163
  180    HG3  LYS  24           HG1      LYS  24  15.019  -8.442   3.129
  181    HD2  LYS  24           HD2      LYS  24  15.845  -7.380   1.184
  182    HD3  LYS  24           HD1      LYS  24  16.159  -5.887   2.057
  183    HE2  LYS  24           HE2      LYS  24  17.556  -8.508   2.564
  184    HE3  LYS  24           HE1      LYS  24  18.207  -7.201   1.579
  185    HZ1  LYS  24           HZ1      LYS  24  18.181  -5.768   3.524
  186    HZ2  LYS  24           HZ2      LYS  24  19.103  -7.153   3.822
  187    HZ3  LYS  24           HZ3      LYS  24  17.547  -7.019   4.471
  188    H    GLY  25           HN       GLY  25  12.833  -4.611   3.809
  189    HA2  GLY  25           HA2      GLY  25  10.737  -3.788   5.329
  190    HA3  GLY  25           HA1      GLY  25  11.282  -2.931   3.926
  191    H    LYS  26           HN       LYS  26   8.617  -3.339   5.150
  192    HA   LYS  26           HA       LYS  26   7.226  -4.521   2.887
  193    HB2  LYS  26           HB2      LYS  26   6.196  -6.237   4.334
  194    HB3  LYS  26           HB1      LYS  26   7.955  -6.395   4.212
  195    HG2  LYS  26           HG2      LYS  26   8.068  -5.069   6.371
  196    HG3  LYS  26           HG1      LYS  26   6.342  -5.389   6.545
  197    HD2  LYS  26           HD2      LYS  26   7.315  -7.138   7.740
  198    HD3  LYS  26           HD1      LYS  26   7.032  -7.866   6.161
  199    HE2  LYS  26           HE2      LYS  26   9.257  -7.803   5.574
  200    HE3  LYS  26           HE1      LYS  26   9.639  -6.504   6.707
  201    HZ1  LYS  26           HZ1      LYS  26   9.436  -8.071   8.525
  202    HZ2  LYS  26           HZ2      LYS  26  10.528  -8.685   7.385
  203    HZ3  LYS  26           HZ3      LYS  26   8.959  -9.304   7.472
  204    H    LEU  27           HN       LEU  27   5.102  -3.926   2.729
  205    HA   LEU  27           HA       LEU  27   4.191  -1.915   4.658
  206    HB2  LEU  27           HB2      LEU  27   3.052  -2.538   1.910
  207    HB3  LEU  27           HB1      LEU  27   2.588  -1.210   2.956
  208    HG   LEU  27           HG       LEU  27   5.040  -0.424   2.696
  209   HD11  LEU  27          HD11      LEU  27   5.873  -2.480   1.635
  210   HD12  LEU  27          HD12      LEU  27   6.121  -1.057   0.625
  211   HD13  LEU  27          HD13      LEU  27   4.815  -2.182   0.256
  212   HD21  LEU  27          HD21      LEU  27   4.454   0.785   0.652
  213   HD22  LEU  27          HD22      LEU  27   3.113   0.753   1.796
  214   HD23  LEU  27          HD23      LEU  27   3.099  -0.313   0.391
  215    H    SER  28           HN       SER  28   2.823  -2.625   6.165
  216    HA   SER  28           HA       SER  28   1.014  -4.854   5.531
  217    HB2  SER  28           HB2      SER  28   1.630  -3.468   8.170
  218    HB3  SER  28           HB1      SER  28   0.562  -4.863   7.976
  219    HG   SER  28           HG       SER  28   2.374  -6.035   7.192
  220    H    LEU  29           HN       LEU  29  -0.754  -4.019   4.455
  221    HA   LEU  29           HA       LEU  29  -1.643  -1.309   4.982
  222    HB2  LEU  29           HB2      LEU  29  -2.742  -3.304   3.019
  223    HB3  LEU  29           HB1      LEU  29  -3.073  -1.583   3.058
  224    HG   LEU  29           HG       LEU  29  -1.601  -1.763   1.312
  225   HD11  LEU  29          HD11      LEU  29  -0.791  -0.082   2.846
  226   HD12  LEU  29          HD12      LEU  29   0.539  -0.845   1.974
  227   HD13  LEU  29          HD13      LEU  29   0.213  -1.291   3.648
  228   HD21  LEU  29          HD21      LEU  29   0.156  -3.666   2.826
  229   HD22  LEU  29          HD22      LEU  29   0.277  -3.210   1.128
  230   HD23  LEU  29          HD23      LEU  29  -1.097  -4.162   1.688
  231    H    SER  30           HN       SER  30  -3.585  -0.652   5.747
  232    HA   SER  30           HA       SER  30  -5.671  -2.611   5.983
  233    HB2  SER  30           HB2      SER  30  -4.585  -2.786   8.173
  234    HB3  SER  30           HB1      SER  30  -4.715  -1.038   8.388
  235    HG   SER  30           HG       SER  30  -6.882  -1.208   8.635
  236    H    MET  31           HN       MET  31  -7.573  -1.740   5.401
  237    HA   MET  31           HA       MET  31  -7.712   1.184   5.130
  238    HB2  MET  31           HB2      MET  31  -9.625  -0.834   3.956
  239    HB3  MET  31           HB1      MET  31  -9.422   0.850   3.498
  240    HG2  MET  31           HG2      MET  31  -7.171   0.313   2.651
  241    HG3  MET  31           HG1      MET  31  -7.459  -1.382   3.039
  242    HE1  MET  31           HE1      MET  31  -7.053  -2.295   0.640
  243    HE2  MET  31           HE2      MET  31  -6.538  -0.665   0.209
  244    HE3  MET  31           HE3      MET  31  -7.684  -1.529  -0.818
  245    H    ASN  32           HN       ASN  32  -8.844   2.262   6.629
  246    HA   ASN  32           HA       ASN  32 -11.059   0.848   7.957
  247    HB2  ASN  32           HB2      ASN  32  -8.921   2.514   9.308
  248    HB3  ASN  32           HB1      ASN  32 -10.383   1.931  10.104
  249   HD21  ASN  32          HD21      ASN  32 -10.565  -0.226  10.628
  250   HD22  ASN  32          HD22      ASN  32  -9.218  -1.316  10.582
  251    H    GLY  33           HN       GLY  33 -12.538   1.973   6.697
  252    HA2  GLY  33           HA2      GLY  33 -14.035   3.643   6.266
  253    HA3  GLY  33           HA1      GLY  33 -13.564   4.321   7.817
  254    H    ASN  34           HN       ASN  34 -12.357   6.177   7.835
  255    HA   ASN  34           HA       ASN  34 -11.702   7.340   5.215
  256    HB2  ASN  34           HB2      ASN  34 -13.293   8.481   6.917
  257    HB3  ASN  34           HB1      ASN  34 -11.832   8.857   7.817
  258   HD21  ASN  34          HD21      ASN  34 -10.168   9.269   5.487
  259   HD22  ASN  34          HD22      ASN  34 -10.687  10.779   4.785
  260    H    GLN  35           HN       GLN  35 -10.066   5.377   6.457
  261    HA   GLN  35           HA       GLN  35  -7.606   6.906   6.697
  262    HB2  GLN  35           HB2      GLN  35  -8.225   6.619   9.001
  263    HB3  GLN  35           HB1      GLN  35  -8.547   4.904   8.749
  264    HG2  GLN  35           HG2      GLN  35  -6.160   4.579   8.205
  265    HG3  GLN  35           HG1      GLN  35  -5.872   6.274   8.594
  266   HE21  GLN  35          HE21      GLN  35  -4.488   5.818  10.274
  267   HE22  GLN  35          HE22      GLN  35  -5.026   5.141  11.777
  268    H    LEU  36           HN       LEU  36  -5.940   5.987   5.714
  269    HA   LEU  36           HA       LEU  36  -5.982   3.081   5.267
  270    HB2  LEU  36           HB2      LEU  36  -5.904   4.602   3.207
  271    HB3  LEU  36           HB1      LEU  36  -4.320   5.104   3.750
  272    HG   LEU  36           HG       LEU  36  -4.264   3.414   1.932
  273   HD11  LEU  36          HD11      LEU  36  -2.608   1.925   2.932
  274   HD12  LEU  36          HD12      LEU  36  -3.088   2.471   4.539
  275   HD13  LEU  36          HD13      LEU  36  -2.350   3.603   3.407
  276   HD21  LEU  36          HD21      LEU  36  -5.398   1.543   4.001
  277   HD22  LEU  36          HD22      LEU  36  -4.866   1.118   2.374
  278   HD23  LEU  36          HD23      LEU  36  -6.265   2.168   2.599
  279    H    LYS  37           HN       LYS  37  -4.897   2.285   6.992
  280    HA   LYS  37           HA       LYS  37  -2.487   3.763   7.874
  281    HB2  LYS  37           HB2      LYS  37  -2.717   2.640  10.024
  282    HB3  LYS  37           HB1      LYS  37  -4.201   3.496   9.627
  283    HG2  LYS  37           HG2      LYS  37  -5.250   1.387   8.986
  284    HG3  LYS  37           HG1      LYS  37  -3.755   0.528   9.371
  285    HD2  LYS  37           HD2      LYS  37  -3.924   1.384  11.694
  286    HD3  LYS  37           HD1      LYS  37  -5.483   2.093  11.282
  287    HE2  LYS  37           HE2      LYS  37  -6.345  -0.139  10.744
  288    HE3  LYS  37           HE1      LYS  37  -4.785  -0.839  11.179
  289    HZ1  LYS  37           HZ1      LYS  37  -6.592   0.646  13.012
  290    HZ2  LYS  37           HZ2      LYS  37  -5.090  -0.005  13.432
  291    HZ3  LYS  37           HZ3      LYS  37  -6.360  -1.029  12.994
  292    H    ALA  38           HN       ALA  38  -0.585   2.727   7.843
  293    HA   ALA  38           HA       ALA  38  -0.402  -0.061   7.087
  294    HB1  ALA  38           HB1      ALA  38   0.829   0.390   5.017
  295    HB2  ALA  38           HB2      ALA  38   0.528   2.116   5.215
  296    HB3  ALA  38           HB3      ALA  38  -0.819   1.013   4.935
  297    H    THR  39           HN       THR  39   1.203  -0.808   8.268
  298    HA   THR  39           HA       THR  39   3.298   1.046   9.096
  299    HB   THR  39           HB       THR  39   3.857  -0.664  10.801
  300    HG1  THR  39           HG1      THR  39   3.098  -2.520   9.813
  301   HG21  THR  39          HG21      THR  39   1.837  -0.340  12.178
  302   HG22  THR  39          HG22      THR  39   0.970   0.226  10.751
  303   HG23  THR  39          HG23      THR  39   2.336   1.149  11.376
  304    H    SER  40           HN       SER  40   5.459   0.515   8.912
  305    HA   SER  40           HA       SER  40   6.051  -1.468   6.822
  306    HB2  SER  40           HB2      SER  40   8.089  -0.108   6.424
  307    HB3  SER  40           HB1      SER  40   6.603   0.809   6.169
  308    HG   SER  40           HG       SER  40   7.788   0.848   8.709
  309    H    SER  41           HN       SER  41   6.985  -3.244   7.539
  310    HA   SER  41           HA       SER  41   8.326  -3.156  10.112
  311    HB2  SER  41           HB2      SER  41   6.629  -4.895   9.791
  312    HB3  SER  41           HB1      SER  41   7.535  -5.521   8.423
  313    HG   SER  41           HG       SER  41   8.061  -5.715  11.158
  314    H    ASN  42           HN       ASN  42  10.198  -5.003  10.066
  315    HA   ASN  42           HA       ASN  42  12.428  -5.161   9.741
  316    HB2  ASN  42           HB2      ASN  42  11.366  -5.503   7.207
  317    HB3  ASN  42           HB1      ASN  42  12.572  -4.242   6.971
  318   HD21  ASN  42          HD21      ASN  42  12.787  -6.754   9.408
  319   HD22  ASN  42          HD22      ASN  42  14.150  -7.567   8.710
  320    H    ALA  43           HN       ALA  43  11.303  -2.794  10.704
  321    HA   ALA  43           HA       ALA  43  11.944  -0.741  11.390
  322    HB1  ALA  43           HB1      ALA  43  13.983  -1.978  11.929
  323    HB2  ALA  43           HB2      ALA  43  14.310  -0.293  11.524
  324    HB3  ALA  43           HB3      ALA  43  14.642  -1.564  10.348
  325    H    GLY  44           HN       GLY  44  11.071  -1.105   8.536
  326    HA2  GLY  44           HA2      GLY  44  10.507   0.491   6.958
  327    HA3  GLY  44           HA1      GLY  44  11.527   1.643   7.813
  328    H    TYR  45           HN       TYR  45  13.074  -1.319   7.020
  329    HA   TYR  45           HA       TYR  45  14.831  -0.158   5.129
  330    HB2  TYR  45           HB2      TYR  45  14.242  -2.948   6.032
  331    HB3  TYR  45           HB1      TYR  45  15.145  -2.732   4.536
  332    HD1  TYR  45           HD1      TYR  45  15.172  -2.052   8.176
  333    HD2  TYR  45           HD2      TYR  45  17.456  -2.108   4.583
  334    HE1  TYR  45           HE1      TYR  45  17.230  -1.783   9.484
  335    HE2  TYR  45           HE2      TYR  45  19.519  -1.837   5.888
  336    HH   TYR  45           HH       TYR  45  20.243  -1.027   8.053
  337    H    GLY  46           HN       GLY  46  15.027  -0.967   2.845
  338    HA2  GLY  46           HA2      GLY  46  12.389  -0.765   1.603
  339    HA3  GLY  46           HA1      GLY  46  13.936  -0.531   0.797
  340    H    ILE  47           HN       ILE  47  12.991  -1.916  -0.858
  341    HA   ILE  47           HA       ILE  47  12.254  -4.572  -0.636
  342    HB   ILE  47           HB       ILE  47  13.907  -4.535  -2.884
  343   HG12  ILE  47          HG12      ILE  47  13.037  -2.482  -4.083
  344   HG13  ILE  47          HG11      ILE  47  12.569  -1.860  -2.502
  345   HG21  ILE  47          HG21      ILE  47  11.827  -4.498  -4.141
  346   HG22  ILE  47          HG22      ILE  47  10.957  -4.003  -2.688
  347   HG23  ILE  47          HG23      ILE  47  11.743  -5.581  -2.753
  348   HD11  ILE  47          HD11      ILE  47  15.369  -2.616  -3.294
  349   HD12  ILE  47          HD12      ILE  47  14.865  -1.862  -1.781
  350   HD13  ILE  47          HD13      ILE  47  14.716  -0.983  -3.299
  351    H    SER  48           HN       SER  48  15.451  -3.448  -1.549
  352    HA   SER  48           HA       SER  48  17.002  -5.230  -0.119
  353    HB2  SER  48           HB2      SER  48  17.615  -6.800  -2.006
  354    HB3  SER  48           HB1      SER  48  15.989  -7.036  -1.357
  355    HG   SER  48           HG       SER  48  15.272  -6.671  -3.290
  356    H    TYR  49           HN       TYR  49  16.593  -3.784  -3.324
  357    HA   TYR  49           HA       TYR  49  18.754  -1.974  -3.009
  358    HB2  TYR  49           HB2      TYR  49  20.145  -3.919  -3.319
  359    HB3  TYR  49           HB1      TYR  49  19.216  -4.410  -4.727
  360    HD1  TYR  49           HD1      TYR  49  21.262  -1.506  -3.506
  361    HD2  TYR  49           HD2      TYR  49  20.068  -3.862  -6.866
  362    HE1  TYR  49           HE1      TYR  49  22.794  -0.245  -4.944
  363    HE2  TYR  49           HE2      TYR  49  21.604  -2.594  -8.294
  364    HH   TYR  49           HH       TYR  49  23.991  -0.518  -7.054
  365    H    GLU  50           HN       GLU  50  16.445  -3.562  -5.143
  366    HA   GLU  50           HA       GLU  50  17.125  -1.823  -7.375
  367    HB2  GLU  50           HB2      GLU  50  15.616  -3.331  -8.637
  368    HB3  GLU  50           HB1      GLU  50  16.892  -4.204  -7.791
  369    HG2  GLU  50           HG2      GLU  50  15.232  -4.627  -5.951
  370    HG3  GLU  50           HG1      GLU  50  13.993  -3.975  -7.024
  371    H    ASP  51           HN       ASP  51  15.458  -0.835  -8.689
  372    HA   ASP  51           HA       ASP  51  13.453   0.432  -6.989
  373    HB2  ASP  51           HB2      ASP  51  13.229   2.134  -8.681
  374    HB3  ASP  51           HB1      ASP  51  14.943   1.888  -8.365
  375    H    LYS  52           HN       LYS  52  11.511  -0.348  -6.932
  376    HA   LYS  52           HA       LYS  52  10.444  -1.652  -9.337
  377    HB2  LYS  52           HB2      LYS  52   9.536  -1.941  -6.474
  378    HB3  LYS  52           HB1      LYS  52   8.949  -2.867  -7.843
  379    HG2  LYS  52           HG2      LYS  52  11.644  -2.996  -6.529
  380    HG3  LYS  52           HG1      LYS  52  10.420  -4.257  -6.660
  381    HD2  LYS  52           HD2      LYS  52  11.953  -3.065  -8.964
  382    HD3  LYS  52           HD1      LYS  52  12.309  -4.617  -8.197
  383    HE2  LYS  52           HE2      LYS  52   9.704  -3.921  -9.554
  384    HE3  LYS  52           HE1      LYS  52  11.002  -4.862 -10.284
  385    HZ1  LYS  52           HZ1      LYS  52   9.516  -5.618  -7.826
  386    HZ2  LYS  52           HZ2      LYS  52  10.727  -6.531  -8.579
  387    HZ3  LYS  52           HZ3      LYS  52   9.254  -6.268  -9.365
  388    H    ASN  53           HN       ASN  53   8.117  -1.269  -9.721
  389    HA   ASN  53           HA       ASN  53   7.636   1.594  -9.227
  390    HB2  ASN  53           HB2      ASN  53   6.207   1.372 -11.373
  391    HB3  ASN  53           HB1      ASN  53   7.962   1.390 -11.525
  392   HD21  ASN  53          HD21      ASN  53   5.090  -0.578 -11.684
  393   HD22  ASN  53          HD22      ASN  53   5.816  -1.913 -12.519
  394    H    TRP  54           HN       TRP  54   6.211   1.890  -7.691
  395    HA   TRP  54           HA       TRP  54   3.999   0.002  -7.365
  396    HB2  TRP  54           HB2      TRP  54   5.809   1.270  -5.620
  397    HB3  TRP  54           HB1      TRP  54   4.206   1.944  -5.291
  398    HD1  TRP  54           HD1      TRP  54   6.229  -1.216  -4.913
  399    HE1  TRP  54           HE1      TRP  54   4.820  -2.932  -3.598
  400    HE3  TRP  54           HE3      TRP  54   1.845   1.263  -4.948
  401    HZ2  TRP  54           HZ2      TRP  54   2.120  -3.156  -2.710
  402    HZ3  TRP  54           HZ3      TRP  54  -0.108   0.280  -3.883
  403    HH2  TRP  54           HH2      TRP  54   0.039  -1.884  -2.767
  404    H    GLY  55           HN       GLY  55   1.832   0.896  -6.629
  405    HA2  GLY  55           HA2      GLY  55   1.394   3.708  -7.207
  406    HA3  GLY  55           HA1      GLY  55   0.671   2.586  -8.334
  407    H    ILE  56           HN       ILE  56  -0.320   4.559  -6.204
  408    HA   ILE  56           HA       ILE  56  -2.368   2.696  -5.163
  409    HB   ILE  56           HB       ILE  56  -1.654   5.425  -4.056
  410   HG12  ILE  56          HG12      ILE  56  -1.134   4.068  -1.991
  411   HG13  ILE  56          HG11      ILE  56  -1.156   2.640  -3.028
  412   HG21  ILE  56          HG21      ILE  56  -3.275   4.910  -2.301
  413   HG22  ILE  56          HG22      ILE  56  -3.656   3.382  -3.094
  414   HG23  ILE  56          HG23      ILE  56  -4.040   4.907  -3.890
  415   HD11  ILE  56          HD11      ILE  56   0.688   5.000  -3.349
  416   HD12  ILE  56          HD12      ILE  56   0.709   3.511  -4.294
  417   HD13  ILE  56          HD13      ILE  56   1.108   3.473  -2.577
  418    H    PHE  57           HN       PHE  57  -4.288   2.875  -6.123
  419    HA   PHE  57           HA       PHE  57  -5.043   5.517  -7.188
  420    HB2  PHE  57           HB2      PHE  57  -6.311   2.982  -8.188
  421    HB3  PHE  57           HB1      PHE  57  -6.225   4.552  -8.960
  422    HD1  PHE  57           HD1      PHE  57  -4.432   1.438  -8.275
  423    HD2  PHE  57           HD2      PHE  57  -4.315   5.198 -10.258
  424    HE1  PHE  57           HE1      PHE  57  -2.523   0.663  -9.616
  425    HE2  PHE  57           HE2      PHE  57  -2.402   4.431 -11.601
  426    HZ   PHE  57           HZ       PHE  57  -1.508   2.163 -11.280
  427    H    VAL  58           HN       VAL  58  -6.996   6.332  -6.535
  428    HA   VAL  58           HA       VAL  58  -8.775   4.492  -5.079
  429    HB   VAL  58           HB       VAL  58  -8.332   7.420  -4.433
  430   HG11  VAL  58          HG11      VAL  58 -10.256   5.433  -3.223
  431   HG12  VAL  58          HG12      VAL  58 -10.689   6.814  -4.230
  432   HG13  VAL  58          HG13      VAL  58  -9.970   7.072  -2.641
  433   HG21  VAL  58          HG21      VAL  58  -6.583   5.947  -3.556
  434   HG22  VAL  58          HG22      VAL  58  -7.816   4.936  -2.800
  435   HG23  VAL  58          HG23      VAL  58  -7.586   6.597  -2.259
  436    H    ASN  59           HN       ASN  59 -10.521   4.154  -6.206
  437    HA   ASN  59           HA       ASN  59 -12.235   4.398  -7.674
  438    HB2  ASN  59           HB2      ASN  59 -11.876   7.359  -7.153
  439    HB3  ASN  59           HB1      ASN  59 -13.272   6.616  -7.927
  440   HD21  ASN  59          HD21      ASN  59 -13.066   8.216  -5.483
  441   HD22  ASN  59          HD22      ASN  59 -13.749   7.243  -4.229
  442    H    GLY  60           HN       GLY  60  -9.547   4.236  -8.659
  443    HA2  GLY  60           HA2      GLY  60  -8.846   3.956 -10.848
  444    HA3  GLY  60           HA1      GLY  60 -10.208   4.928 -11.385
  445    H    GLU  61           HN       GLU  61  -8.142   6.320  -8.958
  446    HA   GLU  61           HA       GLU  61  -6.545   7.636 -11.027
  447    HB2  GLU  61           HB2      GLU  61  -6.984   9.836 -10.278
  448    HB3  GLU  61           HB1      GLU  61  -8.554   9.061 -10.462
  449    HG2  GLU  61           HG2      GLU  61  -8.530   8.621  -8.011
  450    HG3  GLU  61           HG1      GLU  61  -7.065   9.597  -7.908
  451    H    LYS  62           HN       LYS  62  -4.549   8.314 -10.396
  452    HA   LYS  62           HA       LYS  62  -3.361   6.869  -8.256
  453    HB2  LYS  62           HB2      LYS  62  -2.309   9.044 -10.058
  454    HB3  LYS  62           HB1      LYS  62  -1.306   8.117  -8.943
  455    HG2  LYS  62           HG2      LYS  62  -1.753   6.088 -10.145
  456    HG3  LYS  62           HG1      LYS  62  -2.924   6.912 -11.180
  457    HD2  LYS  62           HD2      LYS  62  -0.810   6.598 -12.345
  458    HD3  LYS  62           HD1      LYS  62  -1.130   8.313 -12.084
  459    HE2  LYS  62           HE2      LYS  62   0.390   8.318 -10.181
  460    HE3  LYS  62           HE1      LYS  62   0.685   6.594 -10.399
  461    HZ1  LYS  62           HZ1      LYS  62   1.337   8.709 -12.379
  462    HZ2  LYS  62           HZ2      LYS  62   1.662   7.060 -12.548
  463    HZ3  LYS  62           HZ3      LYS  62   2.449   7.958 -11.350
  464    H    VAL  63           HN       VAL  63  -3.494   7.446  -6.166
  465    HA   VAL  63           HA       VAL  63  -3.639  10.295  -5.508
  466    HB   VAL  63           HB       VAL  63  -4.351   9.744  -3.339
  467   HG11  VAL  63          HG11      VAL  63  -6.260   8.269  -3.672
  468   HG12  VAL  63          HG12      VAL  63  -5.553   7.693  -5.181
  469   HG13  VAL  63          HG13      VAL  63  -6.057   9.378  -5.030
  470   HG21  VAL  63          HG21      VAL  63  -3.494   6.907  -3.857
  471   HG22  VAL  63          HG22      VAL  63  -4.334   7.471  -2.413
  472   HG23  VAL  63          HG23      VAL  63  -2.712   8.060  -2.778
  473    H    TYR  64           HN       TYR  64  -1.547   7.513  -5.265
  474    HA   TYR  64           HA       TYR  64   0.689   9.265  -4.770
  475    HB2  TYR  64           HB2      TYR  64  -0.205   8.702  -2.487
  476    HB3  TYR  64           HB1      TYR  64   0.141   7.007  -2.829
  477    HD1  TYR  64           HD1      TYR  64   1.779  10.348  -2.634
  478    HD2  TYR  64           HD2      TYR  64   2.239   6.134  -2.322
  479    HE1  TYR  64           HE1      TYR  64   4.079  10.665  -1.824
  480    HE2  TYR  64           HE2      TYR  64   4.533   6.438  -1.506
  481    HH   TYR  64           HH       TYR  64   5.742   9.384  -0.452
  482    H    THR  65           HN       THR  65   2.717   8.227  -5.180
  483    HA   THR  65           HA       THR  65   2.703   5.492  -6.182
  484    HB   THR  65           HB       THR  65   3.428   7.882  -7.901
  485    HG1  THR  65           HG1      THR  65   1.184   6.540  -7.587
  486   HG21  THR  65          HG21      THR  65   3.791   4.945  -8.496
  487   HG22  THR  65          HG22      THR  65   5.079   6.126  -8.257
  488   HG23  THR  65          HG23      THR  65   4.009   6.257  -9.653
  489    H    PHE  66           HN       PHE  66   4.877   4.573  -6.191
  490    HA   PHE  66           HA       PHE  66   7.100   6.225  -5.436
  491    HB2  PHE  66           HB2      PHE  66   7.486   5.316  -3.221
  492    HB3  PHE  66           HB1      PHE  66   5.901   6.078  -3.283
  493    HD1  PHE  66           HD1      PHE  66   7.733   2.968  -2.856
  494    HD2  PHE  66           HD2      PHE  66   3.862   4.706  -3.214
  495    HE1  PHE  66           HE1      PHE  66   6.733   0.913  -1.948
  496    HE2  PHE  66           HE2      PHE  66   2.854   2.648  -2.305
  497    HZ   PHE  66           HZ       PHE  66   4.292   0.754  -1.670
  498    H    ASN  67           HN       ASN  67   8.938   4.684  -4.571
  499    HA   ASN  67           HA       ASN  67   8.903   2.160  -6.085
  500    HB2  ASN  67           HB2      ASN  67  11.252   4.067  -5.848
  501    HB3  ASN  67           HB1      ASN  67  11.259   2.514  -6.683
  502   HD21  ASN  67          HD21      ASN  67  10.058   2.304  -8.615
  503   HD22  ASN  67          HD22      ASN  67   9.652   3.692  -9.563
  504    H    GLU  68           HN       GLU  68   9.713   0.419  -5.004
  505    HA   GLU  68           HA       GLU  68   9.628   0.512  -2.218
  506    HB2  GLU  68           HB2      GLU  68  10.727  -1.633  -4.020
  507    HB3  GLU  68           HB1      GLU  68  10.563  -1.817  -2.284
  508    HG2  GLU  68           HG2      GLU  68   8.669  -2.811  -2.985
  509    HG3  GLU  68           HG1      GLU  68   8.071  -1.165  -2.758
  510    H    LYS  69           HN       LYS  69  12.340   1.404  -4.082
  511    HA   LYS  69           HA       LYS  69  14.225   0.468  -2.086
  512    HB2  LYS  69           HB2      LYS  69  15.968   1.459  -3.441
  513    HB3  LYS  69           HB1      LYS  69  14.914   0.468  -4.435
  514    HG2  LYS  69           HG2      LYS  69  13.714   2.640  -5.009
  515    HG3  LYS  69           HG1      LYS  69  15.134   3.438  -4.330
  516    HD2  LYS  69           HD2      LYS  69  15.326   1.310  -6.444
  517    HD3  LYS  69           HD1      LYS  69  15.251   3.026  -6.822
  518    HE2  LYS  69           HE2      LYS  69  17.337   1.716  -5.092
  519    HE3  LYS  69           HE1      LYS  69  17.550   2.141  -6.787
  520    HZ1  LYS  69           HZ1      LYS  69  16.984   4.066  -4.599
  521    HZ2  LYS  69           HZ2      LYS  69  17.237   4.456  -6.226
  522    HZ3  LYS  69           HZ3      LYS  69  18.495   3.803  -5.307
  523    H    SER  70           HN       SER  70  12.165   3.050  -2.398
  524    HA   SER  70           HA       SER  70  13.693   4.792  -0.701
  525    HB2  SER  70           HB2      SER  70  10.723   4.757  -1.332
  526    HB3  SER  70           HB1      SER  70  11.580   6.061  -0.502
  527    HG   SER  70           HG       SER  70  12.922   6.129  -2.483
  528    H    THR  71           HN       THR  71  12.949   5.161   1.640
  529    HA   THR  71           HA       THR  71  12.846   2.567   2.820
  530    HB   THR  71           HB       THR  71  12.768   3.949   4.986
  531    HG1  THR  71           HG1      THR  71  13.117   6.114   4.806
  532   HG21  THR  71          HG21      THR  71  15.066   4.294   3.059
  533   HG22  THR  71          HG22      THR  71  14.810   2.926   4.142
  534   HG23  THR  71          HG23      THR  71  15.157   4.524   4.805
  535    H    VAL  72           HN       VAL  72  11.140   1.498   3.402
  536    HA   VAL  72           HA       VAL  72   8.626   2.258   2.501
  537    HB   VAL  72           HB       VAL  72   9.168   0.052   4.500
  538   HG11  VAL  72          HG11      VAL  72   7.316  -1.068   3.358
  539   HG12  VAL  72          HG12      VAL  72   7.075   0.369   2.361
  540   HG13  VAL  72          HG13      VAL  72   6.820   0.451   4.105
  541   HG21  VAL  72          HG21      VAL  72   9.551  -1.400   2.556
  542   HG22  VAL  72          HG22      VAL  72  10.762  -0.124   2.669
  543   HG23  VAL  72          HG23      VAL  72   9.453   0.005   1.494
  544    H    GLY  73           HN       GLY  73  10.156   3.244   5.337
  545    HA2  GLY  73           HA2      GLY  73   7.734   3.301   6.975
  546    HA3  GLY  73           HA1      GLY  73   9.332   3.893   7.446
  547    H    ASN  74           HN       ASN  74   9.849   5.566   5.278
  548    HA   ASN  74           HA       ASN  74   8.273   7.858   5.901
  549    HB2  ASN  74           HB2      ASN  74  10.276   7.293   3.710
  550    HB3  ASN  74           HB1      ASN  74   9.504   8.860   3.931
  551   HD21  ASN  74          HD21      ASN  74  12.311   7.744   4.218
  552   HD22  ASN  74          HD22      ASN  74  12.839   8.372   5.749
  553    H    ILE  75           HN       ILE  75   8.306   5.445   3.391
  554    HA   ILE  75           HA       ILE  75   6.442   6.679   1.663
  555    HB   ILE  75           HB       ILE  75   7.145   3.763   1.989
  556   HG12  ILE  75          HG12      ILE  75   9.062   5.131   1.348
  557   HG13  ILE  75          HG11      ILE  75   8.548   4.128  -0.008
  558   HG21  ILE  75          HG21      ILE  75   5.667   5.144  -0.239
  559   HG22  ILE  75          HG22      ILE  75   4.979   4.013   0.925
  560   HG23  ILE  75          HG23      ILE  75   6.183   3.459  -0.238
  561   HD11  ILE  75          HD11      ILE  75   7.387   6.073  -0.967
  562   HD12  ILE  75          HD12      ILE  75   9.120   6.334  -0.777
  563   HD13  ILE  75          HD13      ILE  75   7.989   7.063   0.363
  564    H    SER  76           HN       SER  76   5.966   3.855   3.814
  565    HA   SER  76           HA       SER  76   3.265   3.613   3.202
  566    HB2  SER  76           HB2      SER  76   4.605   2.631   5.707
  567    HB3  SER  76           HB1      SER  76   3.115   2.010   4.990
  568    HG   SER  76           HG       SER  76   5.768   1.763   4.097
  569    H    ASN  77           HN       ASN  77   4.685   4.876   6.180
  570    HA   ASN  77           HA       ASN  77   2.069   5.387   7.183
  571    HB2  ASN  77           HB2      ASN  77   4.786   5.695   8.288
  572    HB3  ASN  77           HB1      ASN  77   3.521   6.722   8.964
  573   HD21  ASN  77          HD21      ASN  77   1.355   4.925   8.612
  574   HD22  ASN  77          HD22      ASN  77   1.555   3.616   9.723
  575    H    ASP  78           HN       ASP  78   4.200   7.367   5.274
  576    HA   ASP  78           HA       ASP  78   2.810   9.792   5.896
  577    HB2  ASP  78           HB2      ASP  78   4.581   8.939   3.659
  578    HB3  ASP  78           HB1      ASP  78   3.555  10.354   3.432
  579    H    ILE  79           HN       ILE  79   2.353   7.158   3.629
  580    HA   ILE  79           HA       ILE  79   0.120   8.061   2.239
  581    HB   ILE  79           HB       ILE  79   0.763   5.266   3.208
  582   HG12  ILE  79          HG12      ILE  79   1.154   6.563   0.500
  583   HG13  ILE  79          HG11      ILE  79   2.428   6.267   1.684
  584   HG21  ILE  79          HG21      ILE  79  -1.616   5.441   2.729
  585   HG22  ILE  79          HG22      ILE  79  -0.799   4.449   1.520
  586   HG23  ILE  79          HG23      ILE  79  -1.258   6.108   1.135
  587   HD11  ILE  79          HD11      ILE  79   1.991   3.850   1.497
  588   HD12  ILE  79          HD12      ILE  79   2.490   4.579  -0.028
  589   HD13  ILE  79          HD13      ILE  79   0.792   4.187   0.248
  590    H    ASN  80           HN       ASN  80   0.509   7.215   5.555
  591    HA   ASN  80           HA       ASN  80  -2.287   6.759   6.012
  592    HB2  ASN  80           HB2      ASN  80  -0.095   7.231   8.047
  593    HB3  ASN  80           HB1      ASN  80  -1.735   6.735   8.424
  594   HD21  ASN  80          HD21      ASN  80   0.303   5.535   5.815
  595   HD22  ASN  80          HD22      ASN  80   0.441   3.927   6.427
  596    H    LYS  81           HN       LYS  81   0.001   9.374   6.434
  597    HA   LYS  81           HA       LYS  81  -1.612  11.108   7.913
  598    HB2  LYS  81           HB2      LYS  81   0.354  11.896   5.752
  599    HB3  LYS  81           HB1      LYS  81  -0.193  12.895   7.096
  600    HG2  LYS  81           HG2      LYS  81   1.470  10.392   7.302
  601    HG3  LYS  81           HG1      LYS  81   2.042  12.047   7.500
  602    HD2  LYS  81           HD2      LYS  81  -0.034  10.716   9.240
  603    HD3  LYS  81           HD1      LYS  81   1.673  10.872   9.649
  604    HE2  LYS  81           HE2      LYS  81   1.470  13.306   9.578
  605    HE3  LYS  81           HE1      LYS  81  -0.233  13.156   9.150
  606    HZ1  LYS  81           HZ1      LYS  81   0.959  12.118  11.659
  607    HZ2  LYS  81           HZ2      LYS  81  -0.684  12.152  11.256
  608    HZ3  LYS  81           HZ3      LYS  81   0.153  13.598  11.525
  609    H    LEU  82           HN       LEU  82  -1.490  10.350   4.522
  610    HA   LEU  82           HA       LEU  82  -3.161  12.328   3.470
  611    HB2  LEU  82           HB2      LEU  82  -3.339   9.514   2.481
  612    HB3  LEU  82           HB1      LEU  82  -3.258  11.011   1.566
  613    HG   LEU  82           HG       LEU  82  -0.943   9.645   2.984
  614   HD11  LEU  82          HD11      LEU  82  -1.635   8.498   0.956
  615   HD12  LEU  82          HD12      LEU  82  -0.114   9.344   0.672
  616   HD13  LEU  82          HD13      LEU  82  -1.623  10.011   0.052
  617   HD21  LEU  82          HD21      LEU  82  -0.704  12.082   3.041
  618   HD22  LEU  82          HD22      LEU  82  -1.016  12.176   1.308
  619   HD23  LEU  82          HD23      LEU  82   0.439  11.375   1.900
  620    H    ASN  83           HN       ASN  83  -3.791   9.578   5.415
  621    HA   ASN  83           HA       ASN  83  -5.645   8.263   5.810
  622    HB2  ASN  83           HB2      ASN  83  -5.857  10.911   6.912
  623    HB3  ASN  83           HB1      ASN  83  -7.459  10.238   6.620
  624   HD21  ASN  83          HD21      ASN  83  -4.650   8.255   7.300
  625   HD22  ASN  83          HD22      ASN  83  -5.155   7.728   8.874
  626    H    ILE  84           HN       ILE  84  -6.144   7.473   3.830
  627    HA   ILE  84           HA       ILE  84  -7.456   8.806   1.781
  628    HB   ILE  84           HB       ILE  84  -7.547   5.841   2.308
  629   HG12  ILE  84          HG12      ILE  84  -5.254   6.639   2.447
  630   HG13  ILE  84          HG11      ILE  84  -5.501   5.758   0.934
  631   HG21  ILE  84          HG21      ILE  84  -7.705   5.668  -0.132
  632   HG22  ILE  84          HG22      ILE  84  -7.733   7.427  -0.252
  633   HG23  ILE  84          HG23      ILE  84  -9.058   6.576   0.542
  634   HD11  ILE  84          HD11      ILE  84  -5.400   8.743   1.248
  635   HD12  ILE  84          HD12      ILE  84  -5.748   7.891  -0.256
  636   HD13  ILE  84          HD13      ILE  84  -4.170   7.712   0.515
  637    H    LYS  85           HN       LYS  85  -9.551   8.683   0.987
  638    HA   LYS  85           HA       LYS  85 -11.612   8.082   2.993
  639    HB2  LYS  85           HB2      LYS  85 -12.764  10.156   1.944
  640    HB3  LYS  85           HB1      LYS  85 -11.541  10.381   3.195
  641    HG2  LYS  85           HG2      LYS  85 -10.554  10.390   0.362
  642    HG3  LYS  85           HG1      LYS  85 -11.483  11.790   0.925
  643    HD2  LYS  85           HD2      LYS  85  -9.791  12.517   2.216
  644    HD3  LYS  85           HD1      LYS  85  -9.425  10.896   2.809
  645    HE2  LYS  85           HE2      LYS  85  -8.133  10.391   0.851
  646    HE3  LYS  85           HE1      LYS  85  -8.659  11.884   0.063
  647    HZ1  LYS  85           HZ1      LYS  85  -6.975  11.736   2.512
  648    HZ2  LYS  85           HZ2      LYS  85  -7.452  13.153   1.722
  649    HZ3  LYS  85           HZ3      LYS  85  -6.412  12.068   0.952
  650    H    GLY  86           HN       GLY  86 -11.037   6.300   1.069
  651    HA2  GLY  86           HA2      GLY  86 -13.043   6.813  -1.028
  652    HA3  GLY  86           HA1      GLY  86 -11.501   6.049  -1.349
  653    HA   PRO  87           HA       PRO  87 -14.848   2.970   0.105
  654    HB2  PRO  87           HB2      PRO  87 -16.054   2.180  -2.148
  655    HB3  PRO  87           HB1      PRO  87 -16.542   3.675  -1.331
  656    HG2  PRO  87           HG2      PRO  87 -14.691   3.315  -3.669
  657    HG3  PRO  87           HG1      PRO  87 -16.054   4.449  -3.500
  658    HD2  PRO  87           HD2      PRO  87 -13.479   5.187  -3.069
  659    HD3  PRO  87           HD1      PRO  87 -14.835   5.896  -2.163
  660    H    TYR  88           HN       TYR  88 -13.184   2.695  -3.050
  661    HA   TYR  88           HA       TYR  88 -11.998   0.237  -2.024
  662    HB2  TYR  88           HB2      TYR  88 -11.837  -0.585  -4.390
  663    HB3  TYR  88           HB1      TYR  88 -13.471  -0.513  -3.735
  664    HD1  TYR  88           HD1      TYR  88 -11.170   0.746  -6.253
  665    HD2  TYR  88           HD2      TYR  88 -15.039   1.233  -4.552
  666    HE1  TYR  88           HE1      TYR  88 -11.859   2.058  -8.210
  667    HE2  TYR  88           HE2      TYR  88 -15.738   2.550  -6.507
  668    HH   TYR  88           HH       TYR  88 -14.708   3.902  -8.278
  669    H    ILE  89           HN       ILE  89  -9.944   0.412  -1.704
  670    HA   ILE  89           HA       ILE  89  -8.460   2.507  -3.110
  671    HB   ILE  89           HB       ILE  89  -7.675   0.980  -0.620
  672   HG12  ILE  89          HG12      ILE  89  -8.755   3.791  -0.913
  673   HG13  ILE  89          HG11      ILE  89  -9.683   2.412  -0.326
  674   HG21  ILE  89          HG21      ILE  89  -5.963   2.710  -0.373
  675   HG22  ILE  89          HG22      ILE  89  -6.485   3.449  -1.887
  676   HG23  ILE  89          HG23      ILE  89  -5.768   1.838  -1.893
  677   HD11  ILE  89          HD11      ILE  89  -8.217   2.213   1.590
  678   HD12  ILE  89          HD12      ILE  89  -8.890   3.840   1.489
  679   HD13  ILE  89          HD13      ILE  89  -7.225   3.542   0.991
  680    H    GLU  90           HN       GLU  90  -7.014   1.999  -4.560
  681    HA   GLU  90           HA       GLU  90  -6.577  -0.813  -5.146
  682    HB2  GLU  90           HB2      GLU  90  -5.978   1.705  -6.684
  683    HB3  GLU  90           HB1      GLU  90  -5.696   0.076  -7.287
  684    HG2  GLU  90           HG2      GLU  90  -8.066  -0.412  -7.173
  685    HG3  GLU  90           HG1      GLU  90  -8.380   1.160  -6.438
  686    H    ILE  91           HN       ILE  91  -5.043  -1.581  -3.902
  687    HA   ILE  91           HA       ILE  91  -2.496  -0.136  -3.655
  688    HB   ILE  91           HB       ILE  91  -3.927  -2.109  -1.885
  689   HG12  ILE  91          HG12      ILE  91  -4.470   0.286  -1.673
  690   HG13  ILE  91          HG11      ILE  91  -3.747  -0.371  -0.204
  691   HG21  ILE  91          HG21      ILE  91  -1.114  -1.181  -1.396
  692   HG22  ILE  91          HG22      ILE  91  -1.541  -2.769  -2.047
  693   HG23  ILE  91          HG23      ILE  91  -2.064  -2.309  -0.432
  694   HD11  ILE  91          HD11      ILE  91  -1.584   0.613  -0.886
  695   HD12  ILE  91          HD12      ILE  91  -2.853   1.813  -0.644
  696   HD13  ILE  91          HD13      ILE  91  -2.390   1.339  -2.277
  697    H    LYS  92           HN       LYS  92  -1.296  -0.848  -5.395
  698    HA   LYS  92           HA       LYS  92  -0.169  -3.439  -5.308
  699    HB2  LYS  92           HB2      LYS  92  -1.028  -4.474  -7.273
  700    HB3  LYS  92           HB1      LYS  92  -2.436  -3.968  -6.353
  701    HG2  LYS  92           HG2      LYS  92  -1.289  -2.354  -8.619
  702    HG3  LYS  92           HG1      LYS  92  -2.529  -3.589  -8.843
  703    HD2  LYS  92           HD2      LYS  92  -2.772  -1.137  -7.098
  704    HD3  LYS  92           HD1      LYS  92  -3.496  -1.340  -8.695
  705    HE2  LYS  92           HE2      LYS  92  -4.097  -2.955  -6.218
  706    HE3  LYS  92           HE1      LYS  92  -5.149  -1.760  -6.974
  707    HZ1  LYS  92           HZ1      LYS  92  -5.233  -3.179  -8.949
  708    HZ2  LYS  92           HZ2      LYS  92  -5.834  -3.964  -7.579
  709    HZ3  LYS  92           HZ3      LYS  92  -4.293  -4.344  -8.160
  710    H    GLN  93           HN       GLN  93   1.299  -3.717  -7.332
  711    HA   GLN  93           HA       GLN  93   2.328  -1.054  -7.886
  712    HB2  GLN  93           HB2      GLN  93   3.975  -2.997  -9.110
  713    HB3  GLN  93           HB1      GLN  93   4.316  -1.966  -7.725
  714    HG2  GLN  93           HG2      GLN  93   3.142  -3.729  -6.319
  715    HG3  GLN  93           HG1      GLN  93   3.228  -4.765  -7.748
  716   HE21  GLN  93          HE21      GLN  93   5.678  -2.432  -7.002
  717   HE22  GLN  93          HE22      GLN  93   6.908  -3.546  -6.529
  718    H    ILE  94           HN       ILE  94   3.324  -0.800 -10.134
  719    HA   ILE  94           HA       ILE  94   1.018  -1.187 -11.914
  720    HB   ILE  94           HB       ILE  94   1.948   0.886 -13.060
  721   HG12  ILE  94          HG12      ILE  94   3.593   0.929 -10.515
  722   HG13  ILE  94          HG11      ILE  94   4.207   0.845 -12.164
  723   HG21  ILE  94          HG21      ILE  94  -0.007   0.893 -11.584
  724   HG22  ILE  94          HG22      ILE  94   0.927   2.381 -11.431
  725   HG23  ILE  94          HG23      ILE  94   1.049   1.131 -10.192
  726   HD11  ILE  94          HD11      ILE  94   4.481   3.058 -11.215
  727   HD12  ILE  94          HD12      ILE  94   2.744   3.168 -10.939
  728   HD13  ILE  94          HD13      ILE  94   3.372   3.094 -12.586
  Start of MODEL    3
    1    H    ASP   1           HT1      ASP   1 -20.123   2.861  -6.425
    2    HA   ASP   1           HA       ASP   1 -18.087   3.420  -4.347
    3    HB2  ASP   1           HB2      ASP   1 -19.582   5.341  -5.119
    4    HB3  ASP   1           HB1      ASP   1 -20.943   4.414  -4.505
    5    H    ASN   2           HN       ASN   2 -19.567   3.155  -2.156
    6    HA   ASN   2           HA       ASN   2 -20.800   1.877  -0.762
    7    HB2  ASN   2           HB2      ASN   2 -21.785   0.677  -3.330
    8    HB3  ASN   2           HB1      ASN   2 -22.213  -0.037  -1.781
    9   HD21  ASN   2          HD21      ASN   2 -21.782   3.412  -2.270
   10   HD22  ASN   2          HD22      ASN   2 -23.446   3.827  -2.063
   11    H    GLN   3           HN       GLN   3 -18.389   0.601  -2.790
   12    HA   GLN   3           HA       GLN   3 -18.338  -2.014  -1.671
   13    HB2  GLN   3           HB2      GLN   3 -16.598  -0.500  -3.508
   14    HB3  GLN   3           HB1      GLN   3 -15.796  -1.742  -2.540
   15    HG2  GLN   3           HG2      GLN   3 -17.012  -3.456  -3.464
   16    HG3  GLN   3           HG1      GLN   3 -18.306  -2.387  -4.021
   17   HE21  GLN   3          HE21      GLN   3 -14.950  -1.600  -4.512
   18   HE22  GLN   3          HE22      GLN   3 -14.931  -1.862  -6.220
   19    H    LYS   4           HN       LYS   4 -17.831   0.796  -0.173
   20    HA   LYS   4           HA       LYS   4 -15.500   0.388   1.349
   21    HB2  LYS   4           HB2      LYS   4 -16.978   2.477   1.175
   22    HB3  LYS   4           HB1      LYS   4 -18.009   1.711   2.372
   23    HG2  LYS   4           HG2      LYS   4 -15.970   1.561   3.851
   24    HG3  LYS   4           HG1      LYS   4 -15.160   2.610   2.686
   25    HD2  LYS   4           HD2      LYS   4 -17.619   3.235   4.311
   26    HD3  LYS   4           HD1      LYS   4 -16.025   3.971   4.463
   27    HE2  LYS   4           HE2      LYS   4 -17.794   4.169   2.029
   28    HE3  LYS   4           HE1      LYS   4 -17.670   5.400   3.280
   29    HZ1  LYS   4           HZ1      LYS   4 -15.343   5.668   2.746
   30    HZ2  LYS   4           HZ2      LYS   4 -16.287   5.914   1.368
   31    HZ3  LYS   4           HZ3      LYS   4 -15.434   4.465   1.562
   32    H    ALA   5           HN       ALA   5 -18.834  -0.685   1.734
   33    HA   ALA   5           HA       ALA   5 -18.197  -2.163   4.161
   34    HB1  ALA   5           HB1      ALA   5 -20.783  -1.930   2.628
   35    HB2  ALA   5           HB2      ALA   5 -20.332  -1.004   4.058
   36    HB3  ALA   5           HB3      ALA   5 -20.579  -2.745   4.179
   37    H    LEU   6           HN       LEU   6 -17.743  -2.673   0.965
   38    HA   LEU   6           HA       LEU   6 -18.554  -5.469   0.909
   39    HB2  LEU   6           HB2      LEU   6 -17.537  -3.528  -1.113
   40    HB3  LEU   6           HB1      LEU   6 -17.319  -5.238  -1.414
   41    HG   LEU   6           HG       LEU   6 -19.326  -4.281  -2.520
   42   HD11  LEU   6          HD11      LEU   6 -20.855  -6.066  -1.856
   43   HD12  LEU   6          HD12      LEU   6 -19.873  -6.373  -0.423
   44   HD13  LEU   6          HD13      LEU   6 -19.203  -6.653  -2.030
   45   HD21  LEU   6          HD21      LEU   6 -20.363  -3.976   0.294
   46   HD22  LEU   6          HD22      LEU   6 -21.298  -3.761  -1.185
   47   HD23  LEU   6          HD23      LEU   6 -19.973  -2.660  -0.811
   48    H    GLU   7           HN       GLU   7 -16.718  -6.805  -0.402
   49    HA   GLU   7           HA       GLU   7 -14.667  -6.954   1.659
   50    HB2  GLU   7           HB2      GLU   7 -15.466  -8.954  -0.458
   51    HB3  GLU   7           HB1      GLU   7 -14.292  -9.235   0.821
   52    HG2  GLU   7           HG2      GLU   7 -16.079  -8.870   2.486
   53    HG3  GLU   7           HG1      GLU   7 -17.235  -8.709   1.166
   54    H    GLU   8           HN       GLU   8 -14.648  -5.136  -0.913
   55    HA   GLU   8           HA       GLU   8 -12.421  -6.040  -2.413
   56    HB2  GLU   8           HB2      GLU   8 -13.273  -3.183  -1.926
   57    HB3  GLU   8           HB1      GLU   8 -12.299  -3.778  -3.264
   58    HG2  GLU   8           HG2      GLU   8 -15.185  -4.412  -2.719
   59    HG3  GLU   8           HG1      GLU   8 -14.551  -3.384  -4.001
   60    H    GLN   9           HN       GLN   9 -12.714  -4.504   0.653
   61    HA   GLN   9           HA       GLN   9  -9.963  -3.698   0.887
   62    HB2  GLN   9           HB2      GLN   9 -12.259  -3.864   2.829
   63    HB3  GLN   9           HB1      GLN   9 -10.635  -3.462   3.357
   64    HG2  GLN   9           HG2      GLN   9 -11.949  -1.465   3.059
   65    HG3  GLN   9           HG1      GLN   9 -10.635  -1.514   1.888
   66   HE21  GLN   9          HE21      GLN   9 -14.068  -1.766   2.357
   67   HE22  GLN   9          HE22      GLN   9 -14.510  -1.571   0.694
   68    H    MET  10           HN       MET  10 -10.954  -6.642   0.518
   69    HA   MET  10           HA       MET  10  -9.466  -7.786   2.776
   70    HB2  MET  10           HB2      MET  10 -11.653  -8.991   1.078
   71    HB3  MET  10           HB1      MET  10 -10.709  -9.905   2.245
   72    HG2  MET  10           HG2      MET  10 -11.487  -8.360   4.013
   73    HG3  MET  10           HG1      MET  10 -12.525  -7.582   2.821
   74    HE1  MET  10           HE1      MET  10 -11.757 -10.849   4.817
   75    HE2  MET  10           HE2      MET  10 -11.700 -11.449   3.160
   76    HE3  MET  10           HE3      MET  10 -13.005 -11.950   4.233
   77    H    ASN  11           HN       ASN  11  -9.662 -10.368   1.071
   78    HA   ASN  11           HA       ASN  11  -7.061 -10.760   0.544
   79    HB2  ASN  11           HB2      ASN  11  -9.364 -11.845  -1.079
   80    HB3  ASN  11           HB1      ASN  11  -7.723 -12.473  -1.137
   81   HD21  ASN  11          HD21      ASN  11  -8.148 -14.471  -0.373
   82   HD22  ASN  11          HD22      ASN  11  -8.704 -14.795   1.233
   83    H    SER  12           HN       SER  12  -9.273  -9.141  -1.684
   84    HA   SER  12           HA       SER  12  -7.761  -9.119  -3.991
   85    HB2  SER  12           HB2      SER  12  -9.444  -6.832  -2.947
   86    HB3  SER  12           HB1      SER  12  -9.019  -7.143  -4.634
   87    HG   SER  12           HG       SER  12 -10.395  -8.794  -4.708
   88    H    ILE  13           HN       ILE  13  -7.589  -6.821  -1.268
   89    HA   ILE  13           HA       ILE  13  -5.270  -5.544  -2.493
   90    HB   ILE  13           HB       ILE  13  -6.957  -4.088  -1.494
   91   HG12  ILE  13          HG12      ILE  13  -4.357  -4.071   0.051
   92   HG13  ILE  13          HG11      ILE  13  -4.624  -3.328  -1.522
   93   HG21  ILE  13          HG21      ILE  13  -7.275  -4.005   0.944
   94   HG22  ILE  13          HG22      ILE  13  -6.269  -5.446   1.106
   95   HG23  ILE  13          HG23      ILE  13  -7.807  -5.536   0.246
   96   HD11  ILE  13          HD11      ILE  13  -5.990  -2.549   1.043
   97   HD12  ILE  13          HD12      ILE  13  -6.228  -1.790  -0.530
   98   HD13  ILE  13          HD13      ILE  13  -4.661  -1.682   0.272
   99    H    ASN  14           HN       ASN  14  -6.056  -7.780   0.061
  100    HA   ASN  14           HA       ASN  14  -3.596  -7.430   1.488
  101    HB2  ASN  14           HB2      ASN  14  -5.684  -9.581   1.657
  102    HB3  ASN  14           HB1      ASN  14  -4.292  -9.488   2.719
  103   HD21  ASN  14          HD21      ASN  14  -7.092  -9.376   3.417
  104   HD22  ASN  14          HD22      ASN  14  -7.335  -7.860   4.212
  105    H    SER  15           HN       SER  15  -4.567  -9.371  -1.214
  106    HA   SER  15           HA       SER  15  -2.534 -11.305  -1.157
  107    HB2  SER  15           HB2      SER  15  -2.767 -11.133  -3.742
  108    HB3  SER  15           HB1      SER  15  -4.203 -11.590  -2.820
  109    HG   SER  15           HG       SER  15  -5.129  -9.759  -3.320
  110    H    VAL  16           HN       VAL  16  -2.604  -7.965  -2.173
  111    HA   VAL  16           HA       VAL  16   0.064  -7.782  -3.084
  112    HB   VAL  16           HB       VAL  16  -1.619  -5.605  -1.818
  113   HG11  VAL  16          HG11      VAL  16  -0.200  -4.077  -3.113
  114   HG12  VAL  16          HG12      VAL  16   0.765  -5.448  -3.659
  115   HG13  VAL  16          HG13      VAL  16   0.733  -5.017  -1.950
  116   HG21  VAL  16          HG21      VAL  16  -1.385  -6.437  -4.702
  117   HG22  VAL  16          HG22      VAL  16  -2.210  -4.989  -4.126
  118   HG23  VAL  16          HG23      VAL  16  -2.813  -6.584  -3.677
  119    H    ASN  17           HN       ASN  17  -1.479  -7.592   0.081
  120    HA   ASN  17           HA       ASN  17   0.730  -6.440   1.457
  121    HB2  ASN  17           HB2      ASN  17  -1.631  -8.051   2.431
  122    HB3  ASN  17           HB1      ASN  17  -0.411  -7.403   3.518
  123   HD21  ASN  17          HD21      ASN  17  -1.590  -5.758   0.637
  124   HD22  ASN  17          HD22      ASN  17  -2.390  -4.480   1.487
  125    H    ASP  18           HN       ASP  18  -0.301  -9.748   0.855
  126    HA   ASP  18           HA       ASP  18   1.663 -10.999   2.470
  127    HB2  ASP  18           HB2      ASP  18   0.109 -12.056   0.100
  128    HB3  ASP  18           HB1      ASP  18   1.113 -13.048   1.157
  129    H    LYS  19           HN       LYS  19   1.708  -9.693  -0.737
  130    HA   LYS  19           HA       LYS  19   4.151 -11.093  -1.456
  131    HB2  LYS  19           HB2      LYS  19   2.437  -9.091  -2.924
  132    HB3  LYS  19           HB1      LYS  19   3.958  -9.704  -3.567
  133    HG2  LYS  19           HG2      LYS  19   2.988 -12.016  -3.326
  134    HG3  LYS  19           HG1      LYS  19   1.439 -11.237  -2.986
  135    HD2  LYS  19           HD2      LYS  19   3.079 -10.820  -5.484
  136    HD3  LYS  19           HD1      LYS  19   1.694 -11.900  -5.354
  137    HE2  LYS  19           HE2      LYS  19   0.296  -9.944  -4.734
  138    HE3  LYS  19           HE1      LYS  19   1.692  -8.904  -5.017
  139    HZ1  LYS  19           HZ1      LYS  19   1.738  -9.695  -7.318
  140    HZ2  LYS  19           HZ2      LYS  19   0.272  -8.942  -6.947
  141    HZ3  LYS  19           HZ3      LYS  19   0.357 -10.628  -7.032
  142    H    LEU  20           HN       LEU  20   3.088  -7.968  -0.368
  143    HA   LEU  20           HA       LEU  20   5.567  -6.629  -0.732
  144    HB2  LEU  20           HB2      LEU  20   3.265  -6.083   1.136
  145    HB3  LEU  20           HB1      LEU  20   4.616  -4.987   0.889
  146    HG   LEU  20           HG       LEU  20   2.525  -5.792  -1.146
  147   HD11  LEU  20          HD11      LEU  20   1.976  -3.419  -1.129
  148   HD12  LEU  20          HD12      LEU  20   3.205  -3.134   0.103
  149   HD13  LEU  20          HD13      LEU  20   1.796  -4.127   0.477
  150   HD21  LEU  20          HD21      LEU  20   4.833  -5.599  -2.102
  151   HD22  LEU  20          HD22      LEU  20   4.848  -3.919  -1.571
  152   HD23  LEU  20          HD23      LEU  20   3.661  -4.465  -2.754
  153    H    ASN  21           HN       ASN  21   4.159  -8.528   1.851
  154    HA   ASN  21           HA       ASN  21   6.504  -8.225   3.527
  155    HB2  ASN  21           HB2      ASN  21   3.916  -9.754   3.768
  156    HB3  ASN  21           HB1      ASN  21   5.262 -10.086   4.858
  157   HD21  ASN  21          HD21      ASN  21   2.832  -7.743   3.913
  158   HD22  ASN  21          HD22      ASN  21   3.031  -6.714   5.295
  159    H    LYS  22           HN       LYS  22   7.817  -8.964   1.612
  160    HA   LYS  22           HA       LYS  22   7.655 -11.819   1.040
  161    HB2  LYS  22           HB2      LYS  22   9.551 -11.050  -0.660
  162    HB3  LYS  22           HB1      LYS  22   7.839 -10.869  -1.007
  163    HG2  LYS  22           HG2      LYS  22   9.111  -8.883  -1.624
  164    HG3  LYS  22           HG1      LYS  22   7.928  -8.530  -0.370
  165    HD2  LYS  22           HD2      LYS  22   9.679  -8.552   1.317
  166    HD3  LYS  22           HD1      LYS  22  10.874  -8.992   0.096
  167    HE2  LYS  22           HE2      LYS  22  10.731  -6.520   0.795
  168    HE3  LYS  22           HE1      LYS  22  10.767  -6.894  -0.925
  169    HZ1  LYS  22           HZ1      LYS  22   8.429  -6.561  -1.087
  170    HZ2  LYS  22           HZ2      LYS  22   9.078  -5.224  -0.281
  171    HZ3  LYS  22           HZ3      LYS  22   8.266  -6.419   0.594
  172    H    GLY  23           HN       GLY  23   9.700  -9.631   2.765
  173    HA2  GLY  23           HA2      GLY  23  11.281 -11.515   4.005
  174    HA3  GLY  23           HA1      GLY  23  12.120 -11.128   2.504
  175    H    LYS  24           HN       LYS  24  12.632  -8.828   2.119
  176    HA   LYS  24           HA       LYS  24  13.102  -7.340   4.572
  177    HB2  LYS  24           HB2      LYS  24  13.596  -6.394   1.741
  178    HB3  LYS  24           HB1      LYS  24  14.303  -5.784   3.226
  179    HG2  LYS  24           HG2      LYS  24  14.830  -8.614   2.516
  180    HG3  LYS  24           HG1      LYS  24  15.644  -7.347   1.596
  181    HD2  LYS  24           HD2      LYS  24  17.153  -7.684   3.290
  182    HD3  LYS  24           HD1      LYS  24  16.169  -6.388   3.960
  183    HE2  LYS  24           HE2      LYS  24  16.544  -8.067   5.651
  184    HE3  LYS  24           HE1      LYS  24  14.842  -8.056   5.194
  185    HZ1  LYS  24           HZ1      LYS  24  16.870  -9.979   4.193
  186    HZ2  LYS  24           HZ2      LYS  24  15.224  -9.986   3.813
  187    HZ3  LYS  24           HZ3      LYS  24  15.726 -10.304   5.393
  188    H    GLY  25           HN       GLY  25  12.603  -4.883   4.237
  189    HA2  GLY  25           HA2      GLY  25  10.860  -3.326   4.218
  190    HA3  GLY  25           HA1      GLY  25  11.238  -3.537   2.539
  191    H    LYS  26           HN       LYS  26   8.894  -3.752   4.920
  192    HA   LYS  26           HA       LYS  26   7.114  -5.129   3.030
  193    HB2  LYS  26           HB2      LYS  26   6.203  -6.300   5.118
  194    HB3  LYS  26           HB1      LYS  26   7.758  -6.825   4.465
  195    HG2  LYS  26           HG2      LYS  26   8.750  -5.103   6.115
  196    HG3  LYS  26           HG1      LYS  26   7.186  -5.272   6.938
  197    HD2  LYS  26           HD2      LYS  26   8.789  -6.818   7.889
  198    HD3  LYS  26           HD1      LYS  26   7.539  -7.715   7.025
  199    HE2  LYS  26           HE2      LYS  26   8.973  -8.159   5.217
  200    HE3  LYS  26           HE1      LYS  26  10.154  -6.950   5.742
  201    HZ1  LYS  26           HZ1      LYS  26  10.978  -9.103   6.299
  202    HZ2  LYS  26           HZ2      LYS  26   9.525  -9.554   7.038
  203    HZ3  LYS  26           HZ3      LYS  26  10.501  -8.372   7.747
  204    H    LEU  27           HN       LEU  27   4.860  -4.861   3.433
  205    HA   LEU  27           HA       LEU  27   4.193  -2.347   4.786
  206    HB2  LEU  27           HB2      LEU  27   4.628  -2.501   2.093
  207    HB3  LEU  27           HB1      LEU  27   2.912  -2.853   2.171
  208    HG   LEU  27           HG       LEU  27   4.268  -0.358   3.189
  209   HD11  LEU  27          HD11      LEU  27   2.413  -0.817   0.860
  210   HD12  LEU  27          HD12      LEU  27   4.137  -0.459   0.767
  211   HD13  LEU  27          HD13      LEU  27   3.018   0.747   1.402
  212   HD21  LEU  27          HD21      LEU  27   2.385  -0.934   4.603
  213   HD22  LEU  27          HD22      LEU  27   1.353  -1.117   3.185
  214   HD23  LEU  27          HD23      LEU  27   2.004   0.467   3.603
  215    H    SER  28           HN       SER  28   2.508  -2.725   6.095
  216    HA   SER  28           HA       SER  28   0.591  -4.832   5.332
  217    HB2  SER  28           HB2      SER  28   1.278  -3.754   8.083
  218    HB3  SER  28           HB1      SER  28   0.086  -5.012   7.743
  219    HG   SER  28           HG       SER  28   2.888  -5.107   7.607
  220    H    LEU  29           HN       LEU  29  -1.271  -4.024   4.576
  221    HA   LEU  29           HA       LEU  29  -1.949  -1.229   5.165
  222    HB2  LEU  29           HB2      LEU  29  -2.856  -3.072   2.961
  223    HB3  LEU  29           HB1      LEU  29  -3.446  -1.436   3.185
  224    HG   LEU  29           HG       LEU  29  -1.038  -0.670   2.870
  225   HD11  LEU  29          HD11      LEU  29   0.428  -2.176   1.623
  226   HD12  LEU  29          HD12      LEU  29  -0.741  -3.481   1.819
  227   HD13  LEU  29          HD13      LEU  29   0.075  -2.811   3.232
  228   HD21  LEU  29          HD21      LEU  29  -1.220  -0.770   0.453
  229   HD22  LEU  29          HD22      LEU  29  -2.789  -0.438   1.185
  230   HD23  LEU  29          HD23      LEU  29  -2.421  -2.054   0.583
  231    H    SER  30           HN       SER  30  -3.846  -0.575   5.988
  232    HA   SER  30           HA       SER  30  -6.028  -2.453   6.033
  233    HB2  SER  30           HB2      SER  30  -5.072  -1.130   8.576
  234    HB3  SER  30           HB1      SER  30  -6.509  -2.144   8.415
  235    HG   SER  30           HG       SER  30  -4.411  -3.471   7.437
  236    H    MET  31           HN       MET  31  -7.912  -1.467   5.584
  237    HA   MET  31           HA       MET  31  -7.992   1.457   5.615
  238    HB2  MET  31           HB2      MET  31  -9.722  -0.617   4.271
  239    HB3  MET  31           HB1      MET  31 -10.170   1.081   4.342
  240    HG2  MET  31           HG2      MET  31  -8.129   1.670   3.146
  241    HG3  MET  31           HG1      MET  31  -7.678  -0.030   3.076
  242    HE1  MET  31           HE1      MET  31 -11.356   1.356   2.680
  243    HE2  MET  31           HE2      MET  31 -11.409   1.675   0.947
  244    HE3  MET  31           HE3      MET  31 -10.359   2.636   1.989
  245    H    ASN  32           HN       ASN  32  -8.944   2.465   7.228
  246    HA   ASN  32           HA       ASN  32 -11.087   1.073   8.702
  247    HB2  ASN  32           HB2      ASN  32  -8.971   1.274  10.027
  248    HB3  ASN  32           HB1      ASN  32  -9.083   3.027   9.871
  249   HD21  ASN  32          HD21      ASN  32  -9.084   1.332  12.250
  250   HD22  ASN  32          HD22      ASN  32 -10.549   1.705  13.100
  251    H    GLY  33           HN       GLY  33 -12.717   2.023   7.520
  252    HA2  GLY  33           HA2      GLY  33 -14.294   3.607   7.037
  253    HA3  GLY  33           HA1      GLY  33 -13.641   4.541   8.376
  254    H    ASN  34           HN       ASN  34 -12.107   6.149   7.960
  255    HA   ASN  34           HA       ASN  34 -11.898   6.947   5.129
  256    HB2  ASN  34           HB2      ASN  34 -11.695   9.278   6.003
  257    HB3  ASN  34           HB1      ASN  34 -13.247   8.532   6.369
  258   HD21  ASN  34          HD21      ASN  34 -10.016   8.999   7.753
  259   HD22  ASN  34          HD22      ASN  34 -10.571   9.233   9.388
  260    H    GLN  35           HN       GLN  35 -10.039   5.190   6.428
  261    HA   GLN  35           HA       GLN  35  -7.652   6.839   6.454
  262    HB2  GLN  35           HB2      GLN  35  -8.270   6.838   8.773
  263    HB3  GLN  35           HB1      GLN  35  -8.523   5.094   8.755
  264    HG2  GLN  35           HG2      GLN  35  -6.132   4.769   8.308
  265    HG3  GLN  35           HG1      GLN  35  -5.901   6.515   8.378
  266   HE21  GLN  35          HE21      GLN  35  -6.596   3.655  10.234
  267   HE22  GLN  35          HE22      GLN  35  -6.295   4.356  11.790
  268    H    LEU  36           HN       LEU  36  -5.964   5.887   5.590
  269    HA   LEU  36           HA       LEU  36  -5.935   2.961   5.347
  270    HB2  LEU  36           HB2      LEU  36  -5.816   4.450   3.259
  271    HB3  LEU  36           HB1      LEU  36  -4.229   4.933   3.818
  272    HG   LEU  36           HG       LEU  36  -4.072   3.241   2.068
  273   HD11  LEU  36          HD11      LEU  36  -2.318   3.247   3.747
  274   HD12  LEU  36          HD12      LEU  36  -2.638   1.611   3.171
  275   HD13  LEU  36          HD13      LEU  36  -3.250   2.129   4.743
  276   HD21  LEU  36          HD21      LEU  36  -6.192   2.120   2.423
  277   HD22  LEU  36          HD22      LEU  36  -5.604   1.461   3.951
  278   HD23  LEU  36          HD23      LEU  36  -4.862   0.962   2.430
  279    H    LYS  37           HN       LYS  37  -5.003   2.363   7.249
  280    HA   LYS  37           HA       LYS  37  -2.568   3.789   8.119
  281    HB2  LYS  37           HB2      LYS  37  -2.780   2.565  10.212
  282    HB3  LYS  37           HB1      LYS  37  -4.312   3.346   9.841
  283    HG2  LYS  37           HG2      LYS  37  -5.231   1.217   9.092
  284    HG3  LYS  37           HG1      LYS  37  -3.684   0.428   9.414
  285    HD2  LYS  37           HD2      LYS  37  -3.876   0.988  11.780
  286    HD3  LYS  37           HD1      LYS  37  -5.397   1.824  11.470
  287    HE2  LYS  37           HE2      LYS  37  -5.922  -0.326  12.353
  288    HE3  LYS  37           HE1      LYS  37  -6.328  -0.339  10.639
  289    HZ1  LYS  37           HZ1      LYS  37  -4.188  -1.465  10.228
  290    HZ2  LYS  37           HZ2      LYS  37  -5.219  -2.366  11.216
  291    HZ3  LYS  37           HZ3      LYS  37  -3.914  -1.532  11.896
  292    H    ALA  38           HN       ALA  38  -0.623   2.620   8.322
  293    HA   ALA  38           HA       ALA  38  -0.492  -0.038   7.175
  294    HB1  ALA  38           HB1      ALA  38   0.782   2.299   5.753
  295    HB2  ALA  38           HB2      ALA  38  -0.633   1.406   5.195
  296    HB3  ALA  38           HB3      ALA  38   0.931   0.600   5.311
  297    H    THR  39           HN       THR  39   0.974  -1.092   8.287
  298    HA   THR  39           HA       THR  39   3.096   0.423   9.609
  299    HB   THR  39           HB       THR  39   3.489  -1.622  10.923
  300    HG1  THR  39           HG1      THR  39   2.793  -3.135   9.346
  301   HG21  THR  39          HG21      THR  39   0.596  -0.758  10.861
  302   HG22  THR  39          HG22      THR  39   1.894   0.010  11.777
  303   HG23  THR  39          HG23      THR  39   1.375  -1.626  12.185
  304    H    SER  40           HN       SER  40   5.215  -0.038   9.292
  305    HA   SER  40           HA       SER  40   5.899  -1.824   7.054
  306    HB2  SER  40           HB2      SER  40   7.702  -0.113   6.550
  307    HB3  SER  40           HB1      SER  40   6.048   0.423   6.225
  308    HG   SER  40           HG       SER  40   7.571   0.990   8.558
  309    H    SER  41           HN       SER  41   7.215  -3.385   7.738
  310    HA   SER  41           HA       SER  41   8.661  -2.917  10.230
  311    HB2  SER  41           HB2      SER  41   7.146  -4.842  10.228
  312    HB3  SER  41           HB1      SER  41   7.989  -5.521   8.845
  313    HG   SER  41           HG       SER  41   8.645  -5.564  11.508
  314    H    ASN  42           HN       ASN  42  10.719  -4.368  10.325
  315    HA   ASN  42           HA       ASN  42  12.871  -4.690   9.723
  316    HB2  ASN  42           HB2      ASN  42  11.864  -4.006   6.986
  317    HB3  ASN  42           HB1      ASN  42  13.590  -4.092   7.308
  318   HD21  ASN  42          HD21      ASN  42  13.394  -6.214   9.252
  319   HD22  ASN  42          HD22      ASN  42  13.020  -7.655   8.364
  320    H    ALA  43           HN       ALA  43  11.590  -2.202  10.665
  321    HA   ALA  43           HA       ALA  43  12.314  -0.203  11.469
  322    HB1  ALA  43           HB1      ALA  43  14.599  -0.183  12.261
  323    HB2  ALA  43           HB2      ALA  43  15.002  -1.527  11.191
  324    HB3  ALA  43           HB3      ALA  43  13.870  -1.767  12.520
  325    H    GLY  44           HN       GLY  44  12.058  -0.141   8.560
  326    HA2  GLY  44           HA2      GLY  44  12.268   1.942   7.390
  327    HA3  GLY  44           HA1      GLY  44  13.816   2.192   8.189
  328    H    TYR  45           HN       TYR  45  14.136  -0.882   7.421
  329    HA   TYR  45           HA       TYR  45  15.705  -0.371   5.098
  330    HB2  TYR  45           HB2      TYR  45  14.824  -2.941   6.410
  331    HB3  TYR  45           HB1      TYR  45  15.854  -2.896   4.983
  332    HD1  TYR  45           HD1      TYR  45  15.794  -2.667   8.590
  333    HD2  TYR  45           HD2      TYR  45  18.079  -1.691   5.130
  334    HE1  TYR  45           HE1      TYR  45  17.786  -2.390   9.988
  335    HE2  TYR  45           HE2      TYR  45  20.080  -1.418   6.531
  336    HH   TYR  45           HH       TYR  45  20.309  -2.527   9.658
  337    H    GLY  46           HN       GLY  46  15.317  -0.812   2.992
  338    HA2  GLY  46           HA2      GLY  46  12.508  -1.037   2.263
  339    HA3  GLY  46           HA1      GLY  46  13.834  -0.592   1.199
  340    H    ILE  47           HN       ILE  47  13.236  -2.011  -0.387
  341    HA   ILE  47           HA       ILE  47  12.600  -4.742  -0.009
  342    HB   ILE  47           HB       ILE  47  13.719  -3.418  -2.456
  343   HG12  ILE  47          HG12      ILE  47  11.818  -2.138  -1.803
  344   HG13  ILE  47          HG11      ILE  47  11.264  -3.211  -3.088
  345   HG21  ILE  47          HG21      ILE  47  13.721  -5.855  -2.561
  346   HG22  ILE  47          HG22      ILE  47  12.565  -5.163  -3.699
  347   HG23  ILE  47          HG23      ILE  47  11.998  -5.873  -2.192
  348   HD11  ILE  47          HD11      ILE  47  10.915  -3.810  -0.163
  349   HD12  ILE  47          HD12      ILE  47  10.164  -4.625  -1.533
  350   HD13  ILE  47          HD13      ILE  47   9.715  -2.968  -1.135
  351    H    SER  48           HN       SER  48  15.423  -3.270  -1.537
  352    HA   SER  48           HA       SER  48  17.288  -4.857  -0.250
  353    HB2  SER  48           HB2      SER  48  17.908  -6.416  -2.086
  354    HB3  SER  48           HB1      SER  48  16.273  -6.711  -1.471
  355    HG   SER  48           HG       SER  48  15.702  -6.513  -3.491
  356    H    TYR  49           HN       TYR  49  17.183  -4.274  -3.700
  357    HA   TYR  49           HA       TYR  49  18.370  -1.683  -3.653
  358    HB2  TYR  49           HB2      TYR  49  20.314  -3.234  -3.061
  359    HB3  TYR  49           HB1      TYR  49  20.136  -3.919  -4.667
  360    HD1  TYR  49           HD1      TYR  49  21.749  -3.141  -6.199
  361    HD2  TYR  49           HD2      TYR  49  20.299  -0.467  -3.203
  362    HE1  TYR  49           HE1      TYR  49  23.209  -1.376  -7.065
  363    HE2  TYR  49           HE2      TYR  49  21.765   1.296  -4.076
  364    HH   TYR  49           HH       TYR  49  23.311   1.103  -7.070
  365    H    GLU  50           HN       GLU  50  16.134  -3.163  -4.752
  366    HA   GLU  50           HA       GLU  50  16.725  -3.078  -7.633
  367    HB2  GLU  50           HB2      GLU  50  14.894  -4.747  -7.892
  368    HB3  GLU  50           HB1      GLU  50  16.247  -5.346  -6.937
  369    HG2  GLU  50           HG2      GLU  50  14.922  -4.720  -4.885
  370    HG3  GLU  50           HG1      GLU  50  13.550  -4.449  -5.961
  371    H    ASP  51           HN       ASP  51  15.411  -1.908  -8.942
  372    HA   ASP  51           HA       ASP  51  13.724   0.012  -7.552
  373    HB2  ASP  51           HB2      ASP  51  15.428   0.864  -9.076
  374    HB3  ASP  51           HB1      ASP  51  14.714  -0.038 -10.410
  375    H    LYS  52           HN       LYS  52  11.729  -0.558  -7.265
  376    HA   LYS  52           HA       LYS  52  10.221  -1.711  -9.508
  377    HB2  LYS  52           HB2      LYS  52  10.141  -2.037  -6.597
  378    HB3  LYS  52           HB1      LYS  52   8.566  -1.902  -7.359
  379    HG2  LYS  52           HG2      LYS  52   9.396  -4.200  -6.988
  380    HG3  LYS  52           HG1      LYS  52   8.956  -3.836  -8.645
  381    HD2  LYS  52           HD2      LYS  52  11.260  -3.627  -9.279
  382    HD3  LYS  52           HD1      LYS  52  11.790  -3.746  -7.598
  383    HE2  LYS  52           HE2      LYS  52  10.917  -6.037  -7.501
  384    HE3  LYS  52           HE1      LYS  52  10.361  -5.904  -9.167
  385    HZ1  LYS  52           HZ1      LYS  52  13.114  -6.113  -8.140
  386    HZ2  LYS  52           HZ2      LYS  52  12.823  -5.401  -9.651
  387    HZ3  LYS  52           HZ3      LYS  52  12.358  -6.999  -9.371
  388    H    ASN  53           HN       ASN  53   8.436  -0.697 -10.240
  389    HA   ASN  53           HA       ASN  53   8.094   2.066  -9.347
  390    HB2  ASN  53           HB2      ASN  53   6.571   2.059 -11.514
  391    HB3  ASN  53           HB1      ASN  53   8.324   2.214 -11.628
  392   HD21  ASN  53          HD21      ASN  53   5.594   0.117 -12.097
  393   HD22  ASN  53          HD22      ASN  53   6.425  -1.066 -13.055
  394    H    TRP  54           HN       TRP  54   6.472   2.641  -8.128
  395    HA   TRP  54           HA       TRP  54   4.402   0.630  -7.587
  396    HB2  TRP  54           HB2      TRP  54   6.297   1.986  -5.972
  397    HB3  TRP  54           HB1      TRP  54   4.678   2.526  -5.503
  398    HD1  TRP  54           HD1      TRP  54   6.963  -0.460  -5.345
  399    HE1  TRP  54           HE1      TRP  54   5.794  -2.302  -3.953
  400    HE3  TRP  54           HE3      TRP  54   2.424   1.676  -5.037
  401    HZ2  TRP  54           HZ2      TRP  54   3.176  -2.724  -2.861
  402    HZ3  TRP  54           HZ3      TRP  54   0.633   0.555  -3.868
  403    HH2  TRP  54           HH2      TRP  54   0.988  -1.614  -2.782
  404    H    GLY  55           HN       GLY  55   2.253   1.479  -6.743
  405    HA2  GLY  55           HA2      GLY  55   1.847   4.298  -6.731
  406    HA3  GLY  55           HA1      GLY  55   1.193   3.569  -8.171
  407    H    ILE  56           HN       ILE  56  -0.183   5.034  -6.200
  408    HA   ILE  56           HA       ILE  56  -2.087   2.983  -5.232
  409    HB   ILE  56           HB       ILE  56  -1.591   5.795  -4.242
  410   HG12  ILE  56          HG12      ILE  56  -1.393   4.577  -2.054
  411   HG13  ILE  56          HG11      ILE  56  -1.385   3.071  -2.976
  412   HG21  ILE  56          HG21      ILE  56  -3.802   3.917  -3.418
  413   HG22  ILE  56          HG22      ILE  56  -4.003   5.392  -4.363
  414   HG23  ILE  56          HG23      ILE  56  -3.444   5.484  -2.691
  415   HD11  ILE  56          HD11      ILE  56   0.664   3.762  -4.081
  416   HD12  ILE  56          HD12      ILE  56   0.857   3.789  -2.328
  417   HD13  ILE  56          HD13      ILE  56   0.632   5.297  -3.214
  418    H    PHE  57           HN       PHE  57  -4.089   2.950  -6.064
  419    HA   PHE  57           HA       PHE  57  -5.079   5.348  -7.471
  420    HB2  PHE  57           HB2      PHE  57  -5.945   2.641  -8.397
  421    HB3  PHE  57           HB1      PHE  57  -5.829   4.144  -9.299
  422    HD1  PHE  57           HD1      PHE  57  -3.750   4.824 -10.321
  423    HD2  PHE  57           HD2      PHE  57  -4.034   1.202  -8.109
  424    HE1  PHE  57           HE1      PHE  57  -1.617   4.066 -11.282
  425    HE2  PHE  57           HE2      PHE  57  -1.900   0.445  -9.062
  426    HZ   PHE  57           HZ       PHE  57  -0.692   1.881 -10.649
  427    H    VAL  58           HN       VAL  58  -6.776   6.079  -6.268
  428    HA   VAL  58           HA       VAL  58  -8.616   4.037  -5.212
  429    HB   VAL  58           HB       VAL  58  -7.835   5.675  -3.522
  430   HG11  VAL  58          HG11      VAL  58  -8.607   7.977  -3.584
  431   HG12  VAL  58          HG12      VAL  58  -9.323   7.704  -5.172
  432   HG13  VAL  58          HG13      VAL  58  -7.572   7.626  -4.969
  433   HG21  VAL  58          HG21      VAL  58 -10.765   5.904  -4.179
  434   HG22  VAL  58          HG22      VAL  58 -10.025   6.224  -2.611
  435   HG23  VAL  58          HG23      VAL  58 -10.009   4.591  -3.277
  436    H    ASN  59           HN       ASN  59 -10.543   3.763  -6.136
  437    HA   ASN  59           HA       ASN  59 -12.177   3.885  -7.725
  438    HB2  ASN  59           HB2      ASN  59 -11.689   6.852  -7.388
  439    HB3  ASN  59           HB1      ASN  59 -13.013   6.176  -8.328
  440   HD21  ASN  59          HD21      ASN  59 -14.496   7.216  -6.981
  441   HD22  ASN  59          HD22      ASN  59 -14.855   6.620  -5.399
  442    H    GLY  60           HN       GLY  60  -9.310   3.773  -8.510
  443    HA2  GLY  60           HA2      GLY  60  -8.316   3.445 -10.587
  444    HA3  GLY  60           HA1      GLY  60  -9.705   4.220 -11.343
  445    H    GLU  61           HN       GLU  61  -8.543   6.094  -8.812
  446    HA   GLU  61           HA       GLU  61  -7.106   7.822 -10.708
  447    HB2  GLU  61           HB2      GLU  61  -9.106   8.809  -9.672
  448    HB3  GLU  61           HB1      GLU  61  -8.428   8.508  -8.075
  449    HG2  GLU  61           HG2      GLU  61  -8.148  10.820  -8.660
  450    HG3  GLU  61           HG1      GLU  61  -6.571  10.027  -8.594
  451    H    LYS  62           HN       LYS  62  -4.988   7.920 -10.516
  452    HA   LYS  62           HA       LYS  62  -3.589   6.687  -8.355
  453    HB2  LYS  62           HB2      LYS  62  -2.775   6.727 -10.701
  454    HB3  LYS  62           HB1      LYS  62  -2.547   8.466 -10.563
  455    HG2  LYS  62           HG2      LYS  62  -0.868   8.135  -8.843
  456    HG3  LYS  62           HG1      LYS  62  -1.126   6.387  -8.910
  457    HD2  LYS  62           HD2      LYS  62   0.838   6.920 -10.189
  458    HD3  LYS  62           HD1      LYS  62  -0.441   6.442 -11.303
  459    HE2  LYS  62           HE2      LYS  62  -0.917   8.816 -11.742
  460    HE3  LYS  62           HE1      LYS  62   0.400   9.266 -10.662
  461    HZ1  LYS  62           HZ1      LYS  62   1.084   9.313 -12.973
  462    HZ2  LYS  62           HZ2      LYS  62   0.675   7.682 -13.157
  463    HZ3  LYS  62           HZ3      LYS  62   1.940   8.123 -12.125
  464    H    VAL  63           HN       VAL  63  -3.382   7.607  -6.403
  465    HA   VAL  63           HA       VAL  63  -3.443  10.535  -6.238
  466    HB   VAL  63           HB       VAL  63  -4.079  10.369  -3.959
  467   HG11  VAL  63          HG11      VAL  63  -6.135   9.063  -4.069
  468   HG12  VAL  63          HG12      VAL  63  -5.538   8.246  -5.514
  469   HG13  VAL  63          HG13      VAL  63  -5.871   9.980  -5.554
  470   HG21  VAL  63          HG21      VAL  63  -4.249   8.242  -2.753
  471   HG22  VAL  63          HG22      VAL  63  -2.592   8.590  -3.246
  472   HG23  VAL  63          HG23      VAL  63  -3.547   7.409  -4.140
  473    H    TYR  64           HN       TYR  64  -1.379   7.795  -5.571
  474    HA   TYR  64           HA       TYR  64   0.804   9.641  -5.042
  475    HB2  TYR  64           HB2      TYR  64  -0.246   9.066  -2.828
  476    HB3  TYR  64           HB1      TYR  64   0.181   7.381  -3.127
  477    HD1  TYR  64           HD1      TYR  64   2.400   6.600  -2.766
  478    HD2  TYR  64           HD2      TYR  64   1.543  10.752  -2.492
  479    HE1  TYR  64           HE1      TYR  64   4.593   6.977  -1.728
  480    HE2  TYR  64           HE2      TYR  64   3.741  11.145  -1.464
  481    HH   TYR  64           HH       TYR  64   6.205   8.797  -1.438
  482    H    THR  65           HN       THR  65   2.659   8.943  -5.927
  483    HA   THR  65           HA       THR  65   2.834   6.108  -6.745
  484    HB   THR  65           HB       THR  65   4.135   8.408  -8.222
  485    HG1  THR  65           HG1      THR  65   1.803   8.607  -8.194
  486   HG21  THR  65          HG21      THR  65   5.048   6.188  -8.661
  487   HG22  THR  65          HG22      THR  65   4.215   6.828 -10.078
  488   HG23  THR  65          HG23      THR  65   3.436   5.605  -9.075
  489    H    PHE  66           HN       PHE  66   4.978   5.152  -6.517
  490    HA   PHE  66           HA       PHE  66   7.164   6.775  -5.615
  491    HB2  PHE  66           HB2      PHE  66   7.419   5.872  -3.379
  492    HB3  PHE  66           HB1      PHE  66   5.860   6.667  -3.538
  493    HD1  PHE  66           HD1      PHE  66   3.790   5.347  -3.521
  494    HD2  PHE  66           HD2      PHE  66   7.598   3.524  -2.978
  495    HE1  PHE  66           HE1      PHE  66   2.693   3.344  -2.586
  496    HE2  PHE  66           HE2      PHE  66   6.514   1.517  -2.058
  497    HZ   PHE  66           HZ       PHE  66   4.061   1.430  -1.855
  498    H    ASN  67           HN       ASN  67   8.865   5.106  -4.505
  499    HA   ASN  67           HA       ASN  67   9.038   2.828  -6.363
  500    HB2  ASN  67           HB2      ASN  67  11.194   4.643  -5.293
  501    HB3  ASN  67           HB1      ASN  67  11.557   3.077  -6.020
  502   HD21  ASN  67          HD21      ASN  67  12.285   5.765  -6.878
  503   HD22  ASN  67          HD22      ASN  67  11.664   5.936  -8.483
  504    H    GLU  68           HN       GLU  68   9.534   0.887  -5.582
  505    HA   GLU  68           HA       GLU  68   8.640   0.274  -3.012
  506    HB2  GLU  68           HB2      GLU  68   8.745  -1.044  -5.275
  507    HB3  GLU  68           HB1      GLU  68  10.308  -1.564  -4.660
  508    HG2  GLU  68           HG2      GLU  68   9.379  -2.652  -2.886
  509    HG3  GLU  68           HG1      GLU  68   7.801  -1.904  -3.074
  510    H    LYS  69           HN       LYS  69  11.890   0.677  -4.275
  511    HA   LYS  69           HA       LYS  69  13.125  -0.773  -2.120
  512    HB2  LYS  69           HB2      LYS  69  15.231  -0.159  -3.185
  513    HB3  LYS  69           HB1      LYS  69  14.093  -0.807  -4.358
  514    HG2  LYS  69           HG2      LYS  69  13.509   1.531  -4.971
  515    HG3  LYS  69           HG1      LYS  69  14.821   2.070  -3.924
  516    HD2  LYS  69           HD2      LYS  69  16.429   0.778  -5.229
  517    HD3  LYS  69           HD1      LYS  69  15.130   0.226  -6.289
  518    HE2  LYS  69           HE2      LYS  69  16.330   2.038  -7.335
  519    HE3  LYS  69           HE1      LYS  69  14.695   2.561  -6.931
  520    HZ1  LYS  69           HZ1      LYS  69  15.570   3.665  -4.969
  521    HZ2  LYS  69           HZ2      LYS  69  16.326   4.245  -6.363
  522    HZ3  LYS  69           HZ3      LYS  69  17.139   3.163  -5.354
  523    H    SER  70           HN       SER  70  11.755   2.180  -2.154
  524    HA   SER  70           HA       SER  70  13.740   3.692  -0.772
  525    HB2  SER  70           HB2      SER  70  10.739   4.115  -0.875
  526    HB3  SER  70           HB1      SER  70  11.948   5.311  -0.400
  527    HG   SER  70           HG       SER  70  11.026   5.000  -2.771
  528    H    THR  71           HN       THR  71  12.520   4.700   1.501
  529    HA   THR  71           HA       THR  71  12.577   2.416   3.250
  530    HB   THR  71           HB       THR  71  12.209   4.148   5.053
  531    HG1  THR  71           HG1      THR  71  12.773   6.113   3.108
  532   HG21  THR  71          HG21      THR  71  14.462   3.431   4.491
  533   HG22  THR  71          HG22      THR  71  14.450   5.157   4.851
  534   HG23  THR  71          HG23      THR  71  14.530   4.606   3.178
  535    H    VAL  72           HN       VAL  72  10.824   1.234   3.369
  536    HA   VAL  72           HA       VAL  72   8.333   2.002   2.368
  537    HB   VAL  72           HB       VAL  72   8.649  -0.226   4.380
  538   HG11  VAL  72          HG11      VAL  72   7.007  -1.347   2.979
  539   HG12  VAL  72          HG12      VAL  72   6.967   0.048   1.898
  540   HG13  VAL  72          HG13      VAL  72   6.407   0.205   3.565
  541   HG21  VAL  72          HG21      VAL  72   9.490  -0.286   1.476
  542   HG22  VAL  72          HG22      VAL  72   9.339  -1.701   2.518
  543   HG23  VAL  72          HG23      VAL  72  10.542  -0.466   2.882
  544    H    GLY  73           HN       GLY  73   9.831   2.681   5.331
  545    HA2  GLY  73           HA2      GLY  73   7.373   2.934   6.865
  546    HA3  GLY  73           HA1      GLY  73   8.991   3.405   7.394
  547    H    ASN  74           HN       ASN  74   9.657   5.129   5.266
  548    HA   ASN  74           HA       ASN  74   8.267   7.484   6.033
  549    HB2  ASN  74           HB2      ASN  74  10.268   6.848   3.889
  550    HB3  ASN  74           HB1      ASN  74   9.429   8.393   3.869
  551   HD21  ASN  74          HD21      ASN  74  10.370   6.650   6.778
  552   HD22  ASN  74          HD22      ASN  74  11.542   7.817   7.303
  553    H    ILE  75           HN       ILE  75   7.941   5.161   3.449
  554    HA   ILE  75           HA       ILE  75   6.107   6.739   1.917
  555    HB   ILE  75           HB       ILE  75   6.472   3.751   1.776
  556   HG12  ILE  75          HG12      ILE  75   8.651   4.888   1.529
  557   HG13  ILE  75          HG11      ILE  75   8.127   4.157   0.012
  558   HG21  ILE  75          HG21      ILE  75   5.445   5.777  -0.192
  559   HG22  ILE  75          HG22      ILE  75   4.502   4.552   0.654
  560   HG23  ILE  75          HG23      ILE  75   5.706   4.071  -0.541
  561   HD11  ILE  75          HD11      ILE  75   7.943   7.070   0.740
  562   HD12  ILE  75          HD12      ILE  75   7.389   6.354  -0.771
  563   HD13  ILE  75          HD13      ILE  75   9.104   6.335  -0.363
  564    H    SER  76           HN       SER  76   5.681   3.731   3.812
  565    HA   SER  76           HA       SER  76   2.976   3.470   3.349
  566    HB2  SER  76           HB2      SER  76   4.414   2.565   5.827
  567    HB3  SER  76           HB1      SER  76   2.899   1.916   5.195
  568    HG   SER  76           HG       SER  76   5.515   1.622   4.231
  569    H    ASN  77           HN       ASN  77   4.490   4.927   6.184
  570    HA   ASN  77           HA       ASN  77   1.890   5.542   7.213
  571    HB2  ASN  77           HB2      ASN  77   4.636   5.994   8.242
  572    HB3  ASN  77           HB1      ASN  77   3.312   6.969   8.884
  573   HD21  ASN  77          HD21      ASN  77   1.270   5.017   8.627
  574   HD22  ASN  77          HD22      ASN  77   1.555   3.780   9.796
  575    H    ASP  78           HN       ASP  78   4.023   7.260   5.093
  576    HA   ASP  78           HA       ASP  78   2.753   9.791   5.368
  577    HB2  ASP  78           HB2      ASP  78   4.411   8.492   3.334
  578    HB3  ASP  78           HB1      ASP  78   3.221   9.599   2.668
  579    H    ILE  79           HN       ILE  79   2.025   6.853   3.606
  580    HA   ILE  79           HA       ILE  79  -0.287   7.605   2.252
  581    HB   ILE  79           HB       ILE  79   0.145   4.948   3.636
  582   HG12  ILE  79          HG12      ILE  79   2.103   5.494   2.268
  583   HG13  ILE  79          HG11      ILE  79   1.187   4.164   1.563
  584   HG21  ILE  79          HG21      ILE  79  -1.484   5.671   1.210
  585   HG22  ILE  79          HG22      ILE  79  -2.107   5.251   2.807
  586   HG23  ILE  79          HG23      ILE  79  -1.251   4.043   1.848
  587   HD11  ILE  79          HD11      ILE  79   1.982   5.704  -0.126
  588   HD12  ILE  79          HD12      ILE  79   1.116   7.030   0.652
  589   HD13  ILE  79          HD13      ILE  79   0.219   5.689  -0.064
  590    H    ASN  80           HN       ASN  80   0.325   7.155   5.626
  591    HA   ASN  80           HA       ASN  80  -2.461   6.897   6.292
  592    HB2  ASN  80           HB2      ASN  80  -0.115   7.355   8.152
  593    HB3  ASN  80           HB1      ASN  80  -1.758   7.005   8.663
  594   HD21  ASN  80          HD21      ASN  80   0.008   5.481   6.024
  595   HD22  ASN  80          HD22      ASN  80   0.083   3.918   6.749
  596    H    LYS  81           HN       LYS  81   0.018   9.391   6.420
  597    HA   LYS  81           HA       LYS  81  -1.344  11.404   7.727
  598    HB2  LYS  81           HB2      LYS  81   0.393  11.629   5.255
  599    HB3  LYS  81           HB1      LYS  81  -0.087  12.987   6.268
  600    HG2  LYS  81           HG2      LYS  81   1.139  12.082   8.136
  601    HG3  LYS  81           HG1      LYS  81   1.529  10.628   7.216
  602    HD2  LYS  81           HD2      LYS  81   3.415  12.194   7.280
  603    HD3  LYS  81           HD1      LYS  81   2.822  11.957   5.635
  604    HE2  LYS  81           HE2      LYS  81   1.594  14.054   5.761
  605    HE3  LYS  81           HE1      LYS  81   2.130  14.285   7.424
  606    HZ1  LYS  81           HZ1      LYS  81   4.406  14.407   6.640
  607    HZ2  LYS  81           HZ2      LYS  81   3.456  15.571   5.866
  608    HZ3  LYS  81           HZ3      LYS  81   3.904  14.165   5.044
  609    H    LEU  82           HN       LEU  82  -1.546  10.380   4.383
  610    HA   LEU  82           HA       LEU  82  -3.335  12.201   3.328
  611    HB2  LEU  82           HB2      LEU  82  -3.635   9.311   2.649
  612    HB3  LEU  82           HB1      LEU  82  -3.611  10.707   1.585
  613    HG   LEU  82           HG       LEU  82  -1.199   9.422   2.922
  614   HD11  LEU  82          HD11      LEU  82  -2.109   8.115   1.077
  615   HD12  LEU  82          HD12      LEU  82  -0.588   8.868   0.596
  616   HD13  LEU  82          HD13      LEU  82  -2.119   9.537   0.035
  617   HD21  LEU  82          HD21      LEU  82  -0.931  11.859   2.712
  618   HD22  LEU  82          HD22      LEU  82  -1.365  11.774   1.004
  619   HD23  LEU  82          HD23      LEU  82   0.116  11.007   1.577
  620    H    ASN  83           HN       ASN  83  -3.892   9.518   5.479
  621    HA   ASN  83           HA       ASN  83  -5.763   8.234   5.931
  622    HB2  ASN  83           HB2      ASN  83  -5.972  10.923   6.982
  623    HB3  ASN  83           HB1      ASN  83  -7.560  10.191   6.762
  624   HD21  ASN  83          HD21      ASN  83  -4.605   8.381   7.464
  625   HD22  ASN  83          HD22      ASN  83  -5.091   7.852   9.044
  626    H    ILE  84           HN       ILE  84  -6.223   7.501   3.872
  627    HA   ILE  84           HA       ILE  84  -7.566   9.037   1.928
  628    HB   ILE  84           HB       ILE  84  -7.462   6.039   1.934
  629   HG12  ILE  84          HG12      ILE  84  -5.289   7.992   1.146
  630   HG13  ILE  84          HG11      ILE  84  -5.236   6.838   2.487
  631   HG21  ILE  84          HG21      ILE  84  -7.340   6.364  -0.506
  632   HG22  ILE  84          HG22      ILE  84  -7.425   8.109  -0.272
  633   HG23  ILE  84          HG23      ILE  84  -8.794   7.091   0.180
  634   HD11  ILE  84          HD11      ILE  84  -5.253   4.990   0.948
  635   HD12  ILE  84          HD12      ILE  84  -3.960   6.104   0.496
  636   HD13  ILE  84          HD13      ILE  84  -5.470   6.080  -0.419
  637    H    LYS  85           HN       LYS  85  -9.581   9.331   1.520
  638    HA   LYS  85           HA       LYS  85 -11.607   7.663   2.820
  639    HB2  LYS  85           HB2      LYS  85 -13.202   9.461   2.277
  640    HB3  LYS  85           HB1      LYS  85 -11.853  10.060   3.242
  641    HG2  LYS  85           HG2      LYS  85 -11.136  10.367   0.492
  642    HG3  LYS  85           HG1      LYS  85 -12.768  11.018   0.731
  643    HD2  LYS  85           HD2      LYS  85 -11.185  12.780   1.101
  644    HD3  LYS  85           HD1      LYS  85 -11.886  12.337   2.657
  645    HE2  LYS  85           HE2      LYS  85  -9.918  11.017   3.193
  646    HE3  LYS  85           HE1      LYS  85  -9.223  11.365   1.610
  647    HZ1  LYS  85           HZ1      LYS  85  -8.274  12.777   3.310
  648    HZ2  LYS  85           HZ2      LYS  85  -9.801  13.364   3.732
  649    HZ3  LYS  85           HZ3      LYS  85  -9.153  13.710   2.209
  650    H    GLY  86           HN       GLY  86 -12.739   6.263   1.580
  651    HA2  GLY  86           HA2      GLY  86 -13.313   6.607  -1.144
  652    HA3  GLY  86           HA1      GLY  86 -11.799   5.715  -0.998
  653    HA   PRO  87           HA       PRO  87 -15.450   2.761  -0.387
  654    HB2  PRO  87           HB2      PRO  87 -16.015   1.950  -2.857
  655    HB3  PRO  87           HB1      PRO  87 -16.693   3.469  -2.242
  656    HG2  PRO  87           HG2      PRO  87 -14.260   3.046  -3.957
  657    HG3  PRO  87           HG1      PRO  87 -15.618   4.170  -4.222
  658    HD2  PRO  87           HD2      PRO  87 -13.277   4.949  -3.098
  659    HD3  PRO  87           HD1      PRO  87 -14.836   5.669  -2.637
  660    H    TYR  88           HN       TYR  88 -12.769   2.709  -2.701
  661    HA   TYR  88           HA       TYR  88 -11.779   0.274  -1.570
  662    HB2  TYR  88           HB2      TYR  88 -11.845  -1.109  -3.521
  663    HB3  TYR  88           HB1      TYR  88 -13.476  -0.483  -3.292
  664    HD1  TYR  88           HD1      TYR  88 -14.357   1.272  -4.791
  665    HD2  TYR  88           HD2      TYR  88 -10.566  -0.530  -5.470
  666    HE1  TYR  88           HE1      TYR  88 -14.358   2.153  -7.086
  667    HE2  TYR  88           HE2      TYR  88 -10.556   0.344  -7.769
  668    HH   TYR  88           HH       TYR  88 -12.160   1.104  -9.454
  669    H    ILE  89           HN       ILE  89  -9.564   0.050  -1.935
  670    HA   ILE  89           HA       ILE  89  -8.367   2.280  -3.436
  671    HB   ILE  89           HB       ILE  89  -7.437   1.285  -0.740
  672   HG12  ILE  89          HG12      ILE  89  -8.757   3.874  -1.568
  673   HG13  ILE  89          HG11      ILE  89  -9.524   2.587  -0.638
  674   HG21  ILE  89          HG21      ILE  89  -5.843   3.127  -0.841
  675   HG22  ILE  89          HG22      ILE  89  -6.441   3.574  -2.438
  676   HG23  ILE  89          HG23      ILE  89  -5.611   2.036  -2.208
  677   HD11  ILE  89          HD11      ILE  89  -8.834   4.425   0.793
  678   HD12  ILE  89          HD12      ILE  89  -7.165   4.229   0.255
  679   HD13  ILE  89          HD13      ILE  89  -7.949   2.950   1.182
  680    H    GLU  90           HN       GLU  90  -6.938   1.717  -4.851
  681    HA   GLU  90           HA       GLU  90  -5.895  -1.008  -4.861
  682    HB2  GLU  90           HB2      GLU  90  -5.904   1.176  -6.939
  683    HB3  GLU  90           HB1      GLU  90  -5.222  -0.428  -7.182
  684    HG2  GLU  90           HG2      GLU  90  -8.097   0.093  -6.466
  685    HG3  GLU  90           HG1      GLU  90  -7.513  -0.098  -8.125
  686    H    ILE  91           HN       ILE  91  -4.175  -0.995  -3.468
  687    HA   ILE  91           HA       ILE  91  -2.006   0.864  -4.160
  688    HB   ILE  91           HB       ILE  91  -2.391  -0.638  -1.557
  689   HG12  ILE  91          HG12      ILE  91  -3.086   2.140  -2.444
  690   HG13  ILE  91          HG11      ILE  91  -4.022   1.012  -1.466
  691   HG21  ILE  91          HG21      ILE  91  -0.347   1.423  -2.368
  692   HG22  ILE  91          HG22      ILE  91  -0.052  -0.271  -1.988
  693   HG23  ILE  91          HG23      ILE  91  -0.584   0.833  -0.725
  694   HD11  ILE  91          HD11      ILE  91  -3.252   2.917  -0.161
  695   HD12  ILE  91          HD12      ILE  91  -1.576   2.520  -0.555
  696   HD13  ILE  91          HD13      ILE  91  -2.542   1.413   0.426
  697    H    LYS  92           HN       LYS  92  -0.864  -0.155  -5.688
  698    HA   LYS  92           HA       LYS  92   0.579  -2.549  -5.063
  699    HB2  LYS  92           HB2      LYS  92  -0.239  -3.976  -6.820
  700    HB3  LYS  92           HB1      LYS  92  -1.616  -3.499  -5.835
  701    HG2  LYS  92           HG2      LYS  92  -0.917  -2.001  -8.331
  702    HG3  LYS  92           HG1      LYS  92  -1.850  -3.499  -8.400
  703    HD2  LYS  92           HD2      LYS  92  -2.599  -1.073  -6.770
  704    HD3  LYS  92           HD1      LYS  92  -3.252  -1.452  -8.365
  705    HE2  LYS  92           HE2      LYS  92  -3.490  -3.195  -5.911
  706    HE3  LYS  92           HE1      LYS  92  -4.757  -2.152  -6.550
  707    HZ1  LYS  92           HZ1      LYS  92  -4.797  -3.455  -8.562
  708    HZ2  LYS  92           HZ2      LYS  92  -5.026  -4.465  -7.225
  709    HZ3  LYS  92           HZ3      LYS  92  -3.530  -4.427  -8.004
  710    H    GLN  93           HN       GLN  93   2.197  -2.994  -6.752
  711    HA   GLN  93           HA       GLN  93   2.970  -0.488  -7.936
  712    HB2  GLN  93           HB2      GLN  93   5.063  -1.704  -8.582
  713    HB3  GLN  93           HB1      GLN  93   4.733  -1.620  -6.862
  714    HG2  GLN  93           HG2      GLN  93   5.355  -3.798  -7.020
  715    HG3  GLN  93           HG1      GLN  93   3.628  -3.978  -7.335
  716   HE21  GLN  93          HE21      GLN  93   5.926  -2.616  -9.603
  717   HE22  GLN  93          HE22      GLN  93   5.824  -3.900 -10.758
  718    H    ILE  94           HN       ILE  94   4.003  -0.618 -10.199
  719    HA   ILE  94           HA       ILE  94   1.742  -1.503 -11.861
  720    HB   ILE  94           HB       ILE  94   2.401   0.589 -13.226
  721   HG12  ILE  94          HG12      ILE  94   4.005   0.904 -10.720
  722   HG13  ILE  94          HG11      ILE  94   4.414   1.360 -12.367
  723   HG21  ILE  94          HG21      ILE  94   0.334   0.351 -11.964
  724   HG22  ILE  94          HG22      ILE  94   0.971   1.991 -11.832
  725   HG23  ILE  94          HG23      ILE  94   1.166   0.859 -10.493
  726   HD11  ILE  94          HD11      ILE  94   2.518   2.808 -10.537
  727   HD12  ILE  94          HD12      ILE  94   2.907   3.281 -12.192
  728   HD13  ILE  94          HD13      ILE  94   4.158   3.304 -10.947
  Start of MODEL    4
    1    H    ASP   1           HT1      ASP   1 -16.245   0.360  -8.788
    2    HA   ASP   1           HA       ASP   1 -13.560  -0.867  -8.588
    3    HB2  ASP   1           HB2      ASP   1 -14.120  -1.414  -6.304
    4    HB3  ASP   1           HB1      ASP   1 -14.342   0.319  -6.515
    5    H    ASN   2           HN       ASN   2 -14.736  -3.050  -7.082
    6    HA   ASN   2           HA       ASN   2 -16.759  -4.248  -8.719
    7    HB2  ASN   2           HB2      ASN   2 -15.518  -6.038  -9.676
    8    HB3  ASN   2           HB1      ASN   2 -14.606  -4.580 -10.044
    9   HD21  ASN   2          HD21      ASN   2 -12.611  -4.244  -9.052
   10   HD22  ASN   2          HD22      ASN   2 -11.771  -5.516  -8.231
   11    H    GLN   3           HN       GLN   3 -14.901  -4.020  -5.921
   12    HA   GLN   3           HA       GLN   3 -15.971  -6.467  -4.765
   13    HB2  GLN   3           HB2      GLN   3 -14.267  -4.282  -3.562
   14    HB3  GLN   3           HB1      GLN   3 -14.833  -5.689  -2.680
   15    HG2  GLN   3           HG2      GLN   3 -12.949  -5.670  -5.024
   16    HG3  GLN   3           HG1      GLN   3 -12.552  -5.976  -3.333
   17   HE21  GLN   3          HE21      GLN   3 -11.679  -7.984  -3.787
   18   HE22  GLN   3          HE22      GLN   3 -12.665  -9.345  -4.203
   19    H    LYS   4           HN       LYS   4 -17.556  -4.161  -5.731
   20    HA   LYS   4           HA       LYS   4 -18.593  -2.543  -3.772
   21    HB2  LYS   4           HB2      LYS   4 -18.954  -2.447  -6.255
   22    HB3  LYS   4           HB1      LYS   4 -20.124  -3.743  -6.091
   23    HG2  LYS   4           HG2      LYS   4 -20.375  -1.083  -4.693
   24    HG3  LYS   4           HG1      LYS   4 -21.067  -1.420  -6.275
   25    HD2  LYS   4           HD2      LYS   4 -21.724  -2.912  -3.734
   26    HD3  LYS   4           HD1      LYS   4 -22.705  -1.630  -4.441
   27    HE2  LYS   4           HE2      LYS   4 -22.978  -2.997  -6.474
   28    HE3  LYS   4           HE1      LYS   4 -22.051  -4.288  -5.710
   29    HZ1  LYS   4           HZ1      LYS   4 -24.411  -4.695  -5.506
   30    HZ2  LYS   4           HZ2      LYS   4 -24.641  -3.202  -4.746
   31    HZ3  LYS   4           HZ3      LYS   4 -23.747  -4.412  -3.974
   32    H    ALA   5           HN       ALA   5 -19.662  -5.807  -4.696
   33    HA   ALA   5           HA       ALA   5 -21.765  -5.875  -2.760
   34    HB1  ALA   5           HB1      ALA   5 -21.984  -8.226  -3.365
   35    HB2  ALA   5           HB2      ALA   5 -20.474  -8.139  -4.270
   36    HB3  ALA   5           HB3      ALA   5 -21.876  -7.209  -4.801
   37    H    LEU   6           HN       LEU   6 -18.414  -6.574  -2.754
   38    HA   LEU   6           HA       LEU   6 -18.552  -8.083  -0.270
   39    HB2  LEU   6           HB2      LEU   6 -16.263  -7.412  -2.110
   40    HB3  LEU   6           HB1      LEU   6 -16.055  -8.248  -0.578
   41    HG   LEU   6           HG       LEU   6 -17.621  -9.246  -2.964
   42   HD11  LEU   6          HD11      LEU   6 -15.062 -10.227  -1.706
   43   HD12  LEU   6          HD12      LEU   6 -15.200  -9.373  -3.243
   44   HD13  LEU   6          HD13      LEU   6 -15.909 -10.978  -3.059
   45   HD21  LEU   6          HD21      LEU   6 -17.861 -11.321  -1.649
   46   HD22  LEU   6          HD22      LEU   6 -18.717  -9.957  -0.933
   47   HD23  LEU   6          HD23      LEU   6 -17.179 -10.489  -0.252
   48    H    GLU   7           HN       GLU   7 -16.167  -7.307   0.932
   49    HA   GLU   7           HA       GLU   7 -17.028  -4.784   2.083
   50    HB2  GLU   7           HB2      GLU   7 -14.928  -6.784   2.902
   51    HB3  GLU   7           HB1      GLU   7 -15.205  -5.273   3.754
   52    HG2  GLU   7           HG2      GLU   7 -17.293  -7.395   3.339
   53    HG3  GLU   7           HG1      GLU   7 -16.299  -7.237   4.786
   54    H    GLU   8           HN       GLU   8 -14.828  -5.758  -0.276
   55    HA   GLU   8           HA       GLU   8 -13.420  -4.565  -1.603
   56    HB2  GLU   8           HB2      GLU   8 -14.040  -2.271   0.265
   57    HB3  GLU   8           HB1      GLU   8 -13.104  -2.131  -1.215
   58    HG2  GLU   8           HG2      GLU   8 -14.974  -2.604  -2.564
   59    HG3  GLU   8           HG1      GLU   8 -15.914  -3.184  -1.191
   60    H    GLN   9           HN       GLN   9 -12.993  -3.983   1.825
   61    HA   GLN   9           HA       GLN   9 -10.148  -3.693   1.752
   62    HB2  GLN   9           HB2      GLN   9 -11.812  -4.408   4.157
   63    HB3  GLN   9           HB1      GLN   9 -10.306  -3.505   4.110
   64    HG2  GLN   9           HG2      GLN   9 -11.335  -1.563   3.682
   65    HG3  GLN   9           HG1      GLN   9 -12.506  -2.304   2.591
   66   HE21  GLN   9          HE21      GLN   9 -14.403  -3.171   3.414
   67   HE22  GLN   9          HE22      GLN   9 -14.975  -2.760   5.006
   68    H    MET  10           HN       MET  10 -11.411  -6.280   0.726
   69    HA   MET  10           HA       MET  10 -10.778  -8.209   2.794
   70    HB2  MET  10           HB2      MET  10 -12.081  -8.527   0.091
   71    HB3  MET  10           HB1      MET  10 -11.841  -9.838   1.240
   72    HG2  MET  10           HG2      MET  10 -13.260  -8.760   2.846
   73    HG3  MET  10           HG1      MET  10 -13.417  -7.345   1.810
   74    HE1  MET  10           HE1      MET  10 -14.247 -11.154   2.242
   75    HE2  MET  10           HE2      MET  10 -13.433 -11.119   0.678
   76    HE3  MET  10           HE3      MET  10 -15.154 -11.490   0.767
   77    H    ASN  11           HN       ASN  11 -10.408 -10.236   0.512
   78    HA   ASN  11           HA       ASN  11  -7.676 -10.614   0.979
   79    HB2  ASN  11           HB2      ASN  11  -9.396 -11.806  -1.204
   80    HB3  ASN  11           HB1      ASN  11  -7.813 -12.401  -0.714
   81   HD21  ASN  11          HD21      ASN  11 -10.349 -13.779  -0.702
   82   HD22  ASN  11          HD22      ASN  11 -10.639 -14.259   0.934
   83    H    SER  12           HN       SER  12  -9.293  -8.786  -1.473
   84    HA   SER  12           HA       SER  12  -7.338  -8.566  -3.424
   85    HB2  SER  12           HB2      SER  12  -9.104  -6.341  -2.362
   86    HB3  SER  12           HB1      SER  12  -8.326  -6.391  -3.948
   87    HG   SER  12           HG       SER  12  -9.787  -7.752  -4.645
   88    H    ILE  13           HN       ILE  13  -7.528  -7.143  -0.240
   89    HA   ILE  13           HA       ILE  13  -5.202  -5.453  -0.633
   90    HB   ILE  13           HB       ILE  13  -6.720  -6.065   1.897
   91   HG12  ILE  13          HG12      ILE  13  -8.201  -5.071   0.216
   92   HG13  ILE  13          HG11      ILE  13  -7.893  -3.941   1.532
   93   HG21  ILE  13          HG21      ILE  13  -5.727  -4.000   2.746
   94   HG22  ILE  13          HG22      ILE  13  -4.828  -3.820   1.239
   95   HG23  ILE  13          HG23      ILE  13  -4.495  -5.184   2.306
   96   HD11  ILE  13          HD11      ILE  13  -6.253  -2.784   0.146
   97   HD12  ILE  13          HD12      ILE  13  -7.849  -2.816  -0.605
   98   HD13  ILE  13          HD13      ILE  13  -6.585  -3.907  -1.175
   99    H    ASN  14           HN       ASN  14  -6.096  -8.407   1.084
  100    HA   ASN  14           HA       ASN  14  -3.705  -8.729   2.542
  101    HB2  ASN  14           HB2      ASN  14  -5.506 -10.919   1.555
  102    HB3  ASN  14           HB1      ASN  14  -4.380 -11.022   2.895
  103   HD21  ASN  14          HD21      ASN  14  -7.187 -11.571   2.933
  104   HD22  ASN  14          HD22      ASN  14  -7.898 -10.468   4.063
  105    H    SER  15           HN       SER  15  -4.704  -9.846  -0.658
  106    HA   SER  15           HA       SER  15  -2.527 -11.446  -1.303
  107    HB2  SER  15           HB2      SER  15  -4.482 -11.216  -2.775
  108    HB3  SER  15           HB1      SER  15  -4.039  -9.545  -3.116
  109    HG   SER  15           HG       SER  15  -2.141 -11.552  -3.593
  110    H    VAL  16           HN       VAL  16  -2.850  -7.953  -1.307
  111    HA   VAL  16           HA       VAL  16  -0.278  -7.441  -2.421
  112    HB   VAL  16           HB       VAL  16  -1.734  -5.550  -0.591
  113   HG11  VAL  16          HG11      VAL  16   0.483  -4.893  -1.260
  114   HG12  VAL  16          HG12      VAL  16  -0.707  -3.857  -2.048
  115   HG13  VAL  16          HG13      VAL  16   0.081  -5.147  -2.956
  116   HG21  VAL  16          HG21      VAL  16  -2.368  -6.190  -3.451
  117   HG22  VAL  16          HG22      VAL  16  -2.793  -4.652  -2.704
  118   HG23  VAL  16          HG23      VAL  16  -3.463  -6.153  -2.065
  119    H    ASN  17           HN       ASN  17  -1.603  -7.926   0.804
  120    HA   ASN  17           HA       ASN  17   0.651  -6.917   2.214
  121    HB2  ASN  17           HB2      ASN  17  -1.584  -8.773   3.037
  122    HB3  ASN  17           HB1      ASN  17  -0.326  -8.242   4.147
  123   HD21  ASN  17          HD21      ASN  17  -3.213  -7.770   4.191
  124   HD22  ASN  17          HD22      ASN  17  -3.409  -6.047   4.212
  125    H    ASP  18           HN       ASP  18  -0.257 -10.124   1.058
  126    HA   ASP  18           HA       ASP  18   1.886 -11.544   2.247
  127    HB2  ASP  18           HB2      ASP  18   0.213 -12.106  -0.203
  128    HB3  ASP  18           HB1      ASP  18   1.470 -13.206   0.361
  129    H    LYS  19           HN       LYS  19   1.642  -9.568  -0.591
  130    HA   LYS  19           HA       LYS  19   4.066 -10.632  -1.777
  131    HB2  LYS  19           HB2      LYS  19   2.171  -8.437  -2.608
  132    HB3  LYS  19           HB1      LYS  19   3.603  -8.882  -3.524
  133    HG2  LYS  19           HG2      LYS  19   2.699 -11.148  -3.799
  134    HG3  LYS  19           HG1      LYS  19   1.255 -10.662  -2.909
  135    HD2  LYS  19           HD2      LYS  19   0.622 -10.478  -5.147
  136    HD3  LYS  19           HD1      LYS  19   1.018  -8.825  -4.684
  137    HE2  LYS  19           HE2      LYS  19   2.884 -10.706  -6.127
  138    HE3  LYS  19           HE1      LYS  19   1.896  -9.481  -6.910
  139    HZ1  LYS  19           HZ1      LYS  19   4.042  -8.579  -6.655
  140    HZ2  LYS  19           HZ2      LYS  19   4.155  -9.059  -5.043
  141    HZ3  LYS  19           HZ3      LYS  19   3.088  -7.822  -5.480
  142    H    LEU  20           HN       LEU  20   2.949  -7.746  -0.157
  143    HA   LEU  20           HA       LEU  20   5.435  -6.338  -0.413
  144    HB2  LEU  20           HB2      LEU  20   3.019  -5.918   1.349
  145    HB3  LEU  20           HB1      LEU  20   4.367  -4.795   1.238
  146    HG   LEU  20           HG       LEU  20   2.456  -5.544  -0.993
  147   HD11  LEU  20          HD11      LEU  20   1.638  -3.336  -0.863
  148   HD12  LEU  20          HD12      LEU  20   2.907  -2.845   0.247
  149   HD13  LEU  20          HD13      LEU  20   1.647  -3.954   0.789
  150   HD21  LEU  20          HD21      LEU  20   5.008  -3.968  -0.973
  151   HD22  LEU  20          HD22      LEU  20   3.738  -3.635  -2.142
  152   HD23  LEU  20          HD23      LEU  20   4.486  -5.230  -2.090
  153    H    ASN  21           HN       ASN  21   3.935  -8.403   2.038
  154    HA   ASN  21           HA       ASN  21   6.195  -8.128   3.816
  155    HB2  ASN  21           HB2      ASN  21   3.711  -9.820   3.842
  156    HB3  ASN  21           HB1      ASN  21   5.050 -10.198   4.925
  157   HD21  ASN  21          HD21      ASN  21   2.537  -7.906   4.152
  158   HD22  ASN  21          HD22      ASN  21   2.639  -7.010   5.632
  159    H    LYS  22           HN       LYS  22   7.262  -8.612   1.575
  160    HA   LYS  22           HA       LYS  22   7.560 -11.247   0.631
  161    HB2  LYS  22           HB2      LYS  22   9.692 -10.144  -0.399
  162    HB3  LYS  22           HB1      LYS  22   8.101  -9.561  -0.891
  163    HG2  LYS  22           HG2      LYS  22   8.259  -7.689   0.599
  164    HG3  LYS  22           HG1      LYS  22   9.757  -8.305   1.288
  165    HD2  LYS  22           HD2      LYS  22  10.904  -7.939  -0.817
  166    HD3  LYS  22           HD1      LYS  22   9.394  -7.417  -1.572
  167    HE2  LYS  22           HE2      LYS  22  10.609  -6.070   0.833
  168    HE3  LYS  22           HE1      LYS  22  10.910  -5.555  -0.788
  169    HZ1  LYS  22           HZ1      LYS  22   8.221  -5.686   0.416
  170    HZ2  LYS  22           HZ2      LYS  22   8.588  -5.079  -1.128
  171    HZ3  LYS  22           HZ3      LYS  22   9.140  -4.280   0.256
  172    H    GLY  23           HN       GLY  23   9.404  -9.331   2.933
  173    HA2  GLY  23           HA2      GLY  23  10.550 -11.089   4.560
  174    HA3  GLY  23           HA1      GLY  23  11.520 -11.328   3.105
  175    H    LYS  24           HN       LYS  24  12.083  -9.081   2.061
  176    HA   LYS  24           HA       LYS  24  13.383  -7.333   3.889
  177    HB2  LYS  24           HB2      LYS  24  12.548  -6.945   1.006
  178    HB3  LYS  24           HB1      LYS  24  13.548  -5.816   1.900
  179    HG2  LYS  24           HG2      LYS  24  14.329  -8.679   1.418
  180    HG3  LYS  24           HG1      LYS  24  14.738  -7.354   0.332
  181    HD2  LYS  24           HD2      LYS  24  16.637  -7.420   1.594
  182    HD3  LYS  24           HD1      LYS  24  15.684  -6.270   2.522
  183    HE2  LYS  24           HE2      LYS  24  15.064  -7.966   4.103
  184    HE3  LYS  24           HE1      LYS  24  15.819  -9.219   3.122
  185    HZ1  LYS  24           HZ1      LYS  24  17.214  -8.581   4.982
  186    HZ2  LYS  24           HZ2      LYS  24  17.228  -6.974   4.460
  187    HZ3  LYS  24           HZ3      LYS  24  17.961  -8.173   3.520
  188    H    GLY  25           HN       GLY  25  12.475  -4.800   2.833
  189    HA2  GLY  25           HA2      GLY  25  10.732  -3.939   4.670
  190    HA3  GLY  25           HA1      GLY  25  10.789  -3.244   3.094
  191    H    LYS  26           HN       LYS  26   8.528  -3.523   4.921
  192    HA   LYS  26           HA       LYS  26   6.800  -5.077   3.166
  193    HB2  LYS  26           HB2      LYS  26   6.046  -6.483   5.076
  194    HB3  LYS  26           HB1      LYS  26   7.732  -6.710   4.595
  195    HG2  LYS  26           HG2      LYS  26   8.286  -5.040   6.451
  196    HG3  LYS  26           HG1      LYS  26   6.655  -5.373   7.046
  197    HD2  LYS  26           HD2      LYS  26   8.321  -6.798   8.148
  198    HD3  LYS  26           HD1      LYS  26   7.198  -7.760   7.186
  199    HE2  LYS  26           HE2      LYS  26   8.785  -8.125   5.503
  200    HE3  LYS  26           HE1      LYS  26   9.826  -6.818   6.072
  201    HZ1  LYS  26           HZ1      LYS  26  10.765  -8.944   6.647
  202    HZ2  LYS  26           HZ2      LYS  26   9.341  -9.423   7.424
  203    HZ3  LYS  26           HZ3      LYS  26  10.270  -8.170   8.068
  204    H    LEU  27           HN       LEU  27   4.834  -4.287   2.988
  205    HA   LEU  27           HA       LEU  27   4.010  -2.154   4.834
  206    HB2  LEU  27           HB2      LEU  27   2.914  -2.759   2.060
  207    HB3  LEU  27           HB1      LEU  27   2.502  -1.387   3.077
  208    HG   LEU  27           HG       LEU  27   4.993  -0.751   2.882
  209   HD11  LEU  27          HD11      LEU  27   5.766  -2.858   1.904
  210   HD12  LEU  27          HD12      LEU  27   6.105  -1.483   0.854
  211   HD13  LEU  27          HD13      LEU  27   4.763  -2.562   0.485
  212   HD21  LEU  27          HD21      LEU  27   4.564   0.438   0.789
  213   HD22  LEU  27          HD22      LEU  27   3.190   0.523   1.890
  214   HD23  LEU  27          HD23      LEU  27   3.148  -0.575   0.509
  215    H    SER  28           HN       SER  28   2.351  -2.545   6.171
  216    HA   SER  28           HA       SER  28   0.611  -4.851   5.609
  217    HB2  SER  28           HB2      SER  28   1.819  -4.549   7.866
  218    HB3  SER  28           HB1      SER  28   0.679  -3.240   8.169
  219    HG   SER  28           HG       SER  28  -0.073  -5.906   7.515
  220    H    LEU  29           HN       LEU  29  -0.978  -4.107   4.262
  221    HA   LEU  29           HA       LEU  29  -1.948  -1.394   4.489
  222    HB2  LEU  29           HB2      LEU  29  -3.019  -3.582   2.726
  223    HB3  LEU  29           HB1      LEU  29  -3.220  -1.850   2.518
  224    HG   LEU  29           HG       LEU  29  -0.637  -3.384   2.205
  225   HD11  LEU  29          HD11      LEU  29  -2.218  -3.799   0.408
  226   HD12  LEU  29          HD12      LEU  29  -0.872  -2.810  -0.157
  227   HD13  LEU  29          HD13      LEU  29  -2.434  -2.064   0.179
  228   HD21  LEU  29          HD21      LEU  29   0.259  -1.261   1.348
  229   HD22  LEU  29          HD22      LEU  29  -0.202  -1.155   3.047
  230   HD23  LEU  29          HD23      LEU  29  -1.242  -0.456   1.807
  231    H    SER  30           HN       SER  30  -3.488  -0.764   5.759
  232    HA   SER  30           HA       SER  30  -5.667  -2.626   6.244
  233    HB2  SER  30           HB2      SER  30  -4.280  -2.579   8.257
  234    HB3  SER  30           HB1      SER  30  -4.385  -0.819   8.305
  235    HG   SER  30           HG       SER  30  -6.446  -2.717   8.731
  236    H    MET  31           HN       MET  31  -7.686  -1.802   6.125
  237    HA   MET  31           HA       MET  31  -7.901   1.051   5.400
  238    HB2  MET  31           HB2      MET  31  -9.434  -1.322   4.328
  239    HB3  MET  31           HB1      MET  31  -9.786   0.353   3.935
  240    HG2  MET  31           HG2      MET  31  -7.706   0.600   2.806
  241    HG3  MET  31           HG1      MET  31  -7.152  -0.976   3.367
  242    HE1  MET  31           HE1      MET  31  -9.900   0.853   1.205
  243    HE2  MET  31           HE2      MET  31 -10.817  -0.264   2.214
  244    HE3  MET  31           HE3      MET  31 -10.716  -0.529   0.474
  245    H    ASN  32           HN       ASN  32  -9.380   2.240   6.483
  246    HA   ASN  32           HA       ASN  32 -11.720   0.924   7.599
  247    HB2  ASN  32           HB2      ASN  32 -10.060   0.868   9.447
  248    HB3  ASN  32           HB1      ASN  32  -9.935   2.625   9.356
  249   HD21  ASN  32          HD21      ASN  32 -12.913   0.790   8.962
  250   HD22  ASN  32          HD22      ASN  32 -13.671   1.367  10.412
  251    H    GLY  33           HN       GLY  33 -12.899   2.068   6.086
  252    HA2  GLY  33           HA2      GLY  33 -14.169   3.801   5.310
  253    HA3  GLY  33           HA1      GLY  33 -14.026   4.462   6.930
  254    H    ASN  34           HN       ASN  34 -12.817   6.294   7.214
  255    HA   ASN  34           HA       ASN  34 -11.725   7.489   4.785
  256    HB2  ASN  34           HB2      ASN  34 -13.471   8.628   6.328
  257    HB3  ASN  34           HB1      ASN  34 -12.113   8.918   7.407
  258   HD21  ASN  34          HD21      ASN  34 -10.188   9.334   5.245
  259   HD22  ASN  34          HD22      ASN  34 -10.572  10.891   4.562
  260    H    GLN  35           HN       GLN  35 -10.279   5.431   6.150
  261    HA   GLN  35           HA       GLN  35  -7.845   6.936   6.597
  262    HB2  GLN  35           HB2      GLN  35  -8.690   6.648   8.847
  263    HB3  GLN  35           HB1      GLN  35  -8.867   4.911   8.583
  264    HG2  GLN  35           HG2      GLN  35  -6.447   4.726   8.261
  265    HG3  GLN  35           HG1      GLN  35  -6.285   6.456   8.567
  266   HE21  GLN  35          HE21      GLN  35  -6.603   7.249  10.646
  267   HE22  GLN  35          HE22      GLN  35  -6.576   6.215  12.041
  268    H    LEU  36           HN       LEU  36  -6.095   6.021   5.835
  269    HA   LEU  36           HA       LEU  36  -6.058   3.125   5.344
  270    HB2  LEU  36           HB2      LEU  36  -6.015   4.705   3.290
  271    HB3  LEU  36           HB1      LEU  36  -4.412   5.152   3.827
  272    HG   LEU  36           HG       LEU  36  -4.367   3.506   2.006
  273   HD11  LEU  36          HD11      LEU  36  -2.837   1.892   3.005
  274   HD12  LEU  36          HD12      LEU  36  -3.348   2.403   4.614
  275   HD13  LEU  36          HD13      LEU  36  -2.506   3.534   3.556
  276   HD21  LEU  36          HD21      LEU  36  -6.463   2.366   2.546
  277   HD22  LEU  36          HD22      LEU  36  -5.692   1.633   3.954
  278   HD23  LEU  36          HD23      LEU  36  -5.124   1.240   2.331
  279    H    LYS  37           HN       LYS  37  -4.688   2.190   6.738
  280    HA   LYS  37           HA       LYS  37  -2.304   3.718   7.606
  281    HB2  LYS  37           HB2      LYS  37  -2.513   2.806   9.850
  282    HB3  LYS  37           HB1      LYS  37  -3.966   3.703   9.431
  283    HG2  LYS  37           HG2      LYS  37  -5.157   1.614   9.036
  284    HG3  LYS  37           HG1      LYS  37  -3.691   0.703   9.406
  285    HD2  LYS  37           HD2      LYS  37  -3.705   1.873  11.657
  286    HD3  LYS  37           HD1      LYS  37  -5.336   2.411  11.257
  287    HE2  LYS  37           HE2      LYS  37  -4.410  -0.456  11.410
  288    HE3  LYS  37           HE1      LYS  37  -5.343   0.388  12.642
  289    HZ1  LYS  37           HZ1      LYS  37  -6.219  -0.310   9.895
  290    HZ2  LYS  37           HZ2      LYS  37  -7.096   0.701  10.928
  291    HZ3  LYS  37           HZ3      LYS  37  -6.829  -0.910  11.353
  292    H    ALA  38           HN       ALA  38  -0.743   2.757   6.571
  293    HA   ALA  38           HA       ALA  38  -0.543  -0.184   6.733
  294    HB1  ALA  38           HB1      ALA  38  -0.684   0.513   4.439
  295    HB2  ALA  38           HB2      ALA  38   0.981   0.026   4.767
  296    HB3  ALA  38           HB3      ALA  38   0.559   1.738   4.684
  297    H    THR  39           HN       THR  39   0.930  -0.871   8.119
  298    HA   THR  39           HA       THR  39   3.042   0.960   8.963
  299    HB   THR  39           HB       THR  39   3.508  -0.758  10.714
  300    HG1  THR  39           HG1      THR  39   2.646  -2.555   9.547
  301   HG21  THR  39          HG21      THR  39   2.030   1.110  11.226
  302   HG22  THR  39          HG22      THR  39   1.467  -0.354  12.033
  303   HG23  THR  39          HG23      THR  39   0.652   0.221  10.579
  304    H    SER  40           HN       SER  40   5.237   0.303   8.958
  305    HA   SER  40           HA       SER  40   5.821  -1.840   7.035
  306    HB2  SER  40           HB2      SER  40   7.223   0.815   7.294
  307    HB3  SER  40           HB1      SER  40   7.639  -0.475   6.163
  308    HG   SER  40           HG       SER  40   5.109  -0.082   5.806
  309    H    SER  41           HN       SER  41   6.900  -3.396   7.912
  310    HA   SER  41           HA       SER  41   8.577  -2.831  10.236
  311    HB2  SER  41           HB2      SER  41   6.782  -4.545  10.478
  312    HB3  SER  41           HB1      SER  41   7.557  -5.499   9.220
  313    HG   SER  41           HG       SER  41   8.266  -6.291  11.157
  314    H    ASN  42           HN       ASN  42  10.332  -4.852  10.201
  315    HA   ASN  42           HA       ASN  42  12.411  -5.358   9.488
  316    HB2  ASN  42           HB2      ASN  42  10.981  -5.525   7.123
  317    HB3  ASN  42           HB1      ASN  42  12.284  -4.408   6.729
  318   HD21  ASN  42          HD21      ASN  42  14.374  -5.134   6.671
  319   HD22  ASN  42          HD22      ASN  42  14.796  -6.815   6.769
  320    H    ALA  43           HN       ALA  43  11.651  -2.886  10.576
  321    HA   ALA  43           HA       ALA  43  12.640  -0.979  11.251
  322    HB1  ALA  43           HB1      ALA  43  15.068  -2.042   9.838
  323    HB2  ALA  43           HB2      ALA  43  14.558  -2.484  11.466
  324    HB3  ALA  43           HB3      ALA  43  15.033  -0.823  11.111
  325    H    GLY  44           HN       GLY  44  11.297  -1.028   8.633
  326    HA2  GLY  44           HA2      GLY  44  10.663   0.759   7.307
  327    HA3  GLY  44           HA1      GLY  44  11.994   1.688   7.982
  328    H    TYR  45           HN       TYR  45  13.424  -1.065   6.996
  329    HA   TYR  45           HA       TYR  45  14.769   0.075   4.825
  330    HB2  TYR  45           HB2      TYR  45  14.399  -2.780   5.703
  331    HB3  TYR  45           HB1      TYR  45  15.327  -2.380   4.259
  332    HD1  TYR  45           HD1      TYR  45  17.382  -0.963   4.486
  333    HD2  TYR  45           HD2      TYR  45  15.373  -2.566   7.880
  334    HE1  TYR  45           HE1      TYR  45  19.400  -0.618   5.844
  335    HE2  TYR  45           HE2      TYR  45  17.382  -2.219   9.238
  336    HH   TYR  45           HH       TYR  45  19.972  -0.310   8.263
  337    H    GLY  46           HN       GLY  46  14.490   0.000   2.646
  338    HA2  GLY  46           HA2      GLY  46  11.945  -0.715   1.551
  339    HA3  GLY  46           HA1      GLY  46  13.375  -0.229   0.647
  340    H    ILE  47           HN       ILE  47  12.750  -1.964  -0.861
  341    HA   ILE  47           HA       ILE  47  12.927  -4.698  -0.101
  342    HB   ILE  47           HB       ILE  47  13.812  -3.630  -2.768
  343   HG12  ILE  47          HG12      ILE  47  10.973  -4.291  -1.984
  344   HG13  ILE  47          HG11      ILE  47  11.615  -2.668  -2.224
  345   HG21  ILE  47          HG21      ILE  47  14.280  -5.960  -2.400
  346   HG22  ILE  47          HG22      ILE  47  12.978  -5.807  -3.581
  347   HG23  ILE  47          HG23      ILE  47  12.610  -6.259  -1.915
  348   HD11  ILE  47          HD11      ILE  47  11.656  -4.782  -4.344
  349   HD12  ILE  47          HD12      ILE  47  11.968  -3.053  -4.513
  350   HD13  ILE  47          HD13      ILE  47  10.343  -3.625  -4.140
  351    H    SER  48           HN       SER  48  15.188  -2.693  -1.913
  352    HA   SER  48           HA       SER  48  17.536  -3.690  -0.827
  353    HB2  SER  48           HB2      SER  48  16.419  -5.815  -1.742
  354    HB3  SER  48           HB1      SER  48  16.739  -5.146  -3.351
  355    HG   SER  48           HG       SER  48  18.690  -5.709  -1.356
  356    H    TYR  49           HN       TYR  49  18.732  -4.034  -3.583
  357    HA   TYR  49           HA       TYR  49  19.148  -1.234  -4.108
  358    HB2  TYR  49           HB2      TYR  49  20.998  -2.839  -4.241
  359    HB3  TYR  49           HB1      TYR  49  20.167  -3.699  -5.527
  360    HD1  TYR  49           HD1      TYR  49  21.493  -0.276  -4.729
  361    HD2  TYR  49           HD2      TYR  49  20.690  -3.171  -7.765
  362    HE1  TYR  49           HE1      TYR  49  22.588   1.154  -6.392
  363    HE2  TYR  49           HE2      TYR  49  21.786  -1.735  -9.419
  364    HH   TYR  49           HH       TYR  49  22.288   0.700  -9.701
  365    H    GLU  50           HN       GLU  50  17.125  -3.716  -5.362
  366    HA   GLU  50           HA       GLU  50  16.862  -2.685  -8.005
  367    HB2  GLU  50           HB2      GLU  50  14.926  -4.302  -8.139
  368    HB3  GLU  50           HB1      GLU  50  16.487  -5.015  -7.730
  369    HG2  GLU  50           HG2      GLU  50  15.699  -4.769  -5.286
  370    HG3  GLU  50           HG1      GLU  50  14.093  -4.565  -5.992
  371    H    ASP  51           HN       ASP  51  15.432  -1.435  -8.927
  372    HA   ASP  51           HA       ASP  51  13.701   0.146  -7.209
  373    HB2  ASP  51           HB2      ASP  51  13.520   1.683  -9.040
  374    HB3  ASP  51           HB1      ASP  51  15.216   1.219  -8.917
  375    H    LYS  52           HN       LYS  52  11.505   0.358  -7.540
  376    HA   LYS  52           HA       LYS  52  10.188  -1.375  -9.417
  377    HB2  LYS  52           HB2      LYS  52  10.092  -1.677  -6.458
  378    HB3  LYS  52           HB1      LYS  52   8.562  -1.794  -7.319
  379    HG2  LYS  52           HG2      LYS  52   9.315  -3.984  -7.139
  380    HG3  LYS  52           HG1      LYS  52   9.707  -3.525  -8.787
  381    HD2  LYS  52           HD2      LYS  52  12.012  -3.169  -8.182
  382    HD3  LYS  52           HD1      LYS  52  11.647  -3.460  -6.482
  383    HE2  LYS  52           HE2      LYS  52  12.680  -5.416  -7.517
  384    HE3  LYS  52           HE1      LYS  52  11.033  -5.759  -6.992
  385    HZ1  LYS  52           HZ1      LYS  52  11.846  -5.121  -9.775
  386    HZ2  LYS  52           HZ2      LYS  52  10.282  -5.501  -9.261
  387    HZ3  LYS  52           HZ3      LYS  52  11.499  -6.666  -9.185
  388    H    ASN  53           HN       ASN  53   8.663  -0.318 -10.299
  389    HA   ASN  53           HA       ASN  53   8.032   2.370  -9.425
  390    HB2  ASN  53           HB2      ASN  53   8.422   1.716 -11.850
  391    HB3  ASN  53           HB1      ASN  53   6.856   0.905 -11.794
  392   HD21  ASN  53          HD21      ASN  53   5.634   2.136 -13.079
  393   HD22  ASN  53          HD22      ASN  53   5.390   3.845 -12.859
  394    H    TRP  54           HN       TRP  54   6.480   2.689  -8.042
  395    HA   TRP  54           HA       TRP  54   4.382   0.656  -7.781
  396    HB2  TRP  54           HB2      TRP  54   6.369   1.592  -5.990
  397    HB3  TRP  54           HB1      TRP  54   4.769   2.041  -5.378
  398    HD1  TRP  54           HD1      TRP  54   6.942  -0.992  -6.046
  399    HE1  TRP  54           HE1      TRP  54   5.749  -3.046  -4.998
  400    HE3  TRP  54           HE3      TRP  54   2.573   1.221  -4.971
  401    HZ2  TRP  54           HZ2      TRP  54   3.165  -3.589  -3.872
  402    HZ3  TRP  54           HZ3      TRP  54   0.781  -0.028  -3.961
  403    HH2  TRP  54           HH2      TRP  54   1.069  -2.408  -3.371
  404    H    GLY  55           HN       GLY  55   2.326   1.352  -6.759
  405    HA2  GLY  55           HA2      GLY  55   1.892   4.138  -6.381
  406    HA3  GLY  55           HA1      GLY  55   1.260   3.575  -7.894
  407    H    ILE  56           HN       ILE  56  -0.124   4.813  -5.822
  408    HA   ILE  56           HA       ILE  56  -2.072   2.703  -5.111
  409    HB   ILE  56           HB       ILE  56  -1.435   5.349  -3.822
  410   HG12  ILE  56          HG12      ILE  56  -1.497   3.916  -1.773
  411   HG13  ILE  56          HG11      ILE  56  -1.642   2.510  -2.833
  412   HG21  ILE  56          HG21      ILE  56  -3.407   5.107  -2.406
  413   HG22  ILE  56          HG22      ILE  56  -3.906   3.694  -3.338
  414   HG23  ILE  56          HG23      ILE  56  -3.856   5.280  -4.104
  415   HD11  ILE  56          HD11      ILE  56   0.530   3.065  -3.818
  416   HD12  ILE  56          HD12      ILE  56   0.642   2.819  -2.075
  417   HD13  ILE  56          HD13      ILE  56   0.660   4.453  -2.738
  418    H    PHE  57           HN       PHE  57  -4.035   2.772  -6.052
  419    HA   PHE  57           HA       PHE  57  -4.948   5.325  -7.219
  420    HB2  PHE  57           HB2      PHE  57  -5.711   2.692  -8.454
  421    HB3  PHE  57           HB1      PHE  57  -5.745   4.293  -9.167
  422    HD1  PHE  57           HD1      PHE  57  -3.877   5.162 -10.322
  423    HD2  PHE  57           HD2      PHE  57  -3.551   1.513  -8.161
  424    HE1  PHE  57           HE1      PHE  57  -1.708   4.723 -11.392
  425    HE2  PHE  57           HE2      PHE  57  -1.377   1.072  -9.219
  426    HZ   PHE  57           HZ       PHE  57  -0.455   2.682 -10.830
  427    H    VAL  58           HN       VAL  58  -6.541   5.929  -5.831
  428    HA   VAL  58           HA       VAL  58  -8.460   3.901  -4.932
  429    HB   VAL  58           HB       VAL  58  -7.678   5.371  -3.166
  430   HG11  VAL  58          HG11      VAL  58  -8.136   7.774  -3.176
  431   HG12  VAL  58          HG12      VAL  58  -8.756   7.647  -4.822
  432   HG13  VAL  58          HG13      VAL  58  -7.058   7.310  -4.492
  433   HG21  VAL  58          HG21      VAL  58  -9.977   4.601  -3.023
  434   HG22  VAL  58          HG22      VAL  58 -10.520   5.998  -3.951
  435   HG23  VAL  58          HG23      VAL  58  -9.826   6.223  -2.347
  436    H    ASN  59           HN       ASN  59 -10.352   3.645  -5.916
  437    HA   ASN  59           HA       ASN  59 -11.955   3.830  -7.519
  438    HB2  ASN  59           HB2      ASN  59 -11.684   6.759  -6.810
  439    HB3  ASN  59           HB1      ASN  59 -12.947   6.119  -7.855
  440   HD21  ASN  59          HD21      ASN  59 -14.553   4.804  -6.967
  441   HD22  ASN  59          HD22      ASN  59 -14.865   4.775  -5.267
  442    H    GLY  60           HN       GLY  60  -9.197   3.806  -8.317
  443    HA2  GLY  60           HA2      GLY  60  -8.185   3.725 -10.403
  444    HA3  GLY  60           HA1      GLY  60  -9.532   4.644 -11.065
  445    H    GLU  61           HN       GLU  61  -8.395   6.216  -8.342
  446    HA   GLU  61           HA       GLU  61  -6.933   8.112 -10.055
  447    HB2  GLU  61           HB2      GLU  61  -8.972   8.975  -8.975
  448    HB3  GLU  61           HB1      GLU  61  -8.312   8.553  -7.397
  449    HG2  GLU  61           HG2      GLU  61  -8.009  10.878  -7.686
  450    HG3  GLU  61           HG1      GLU  61  -6.423  10.123  -7.862
  451    H    LYS  62           HN       LYS  62  -4.811   8.246  -9.804
  452    HA   LYS  62           HA       LYS  62  -3.470   6.829  -7.711
  453    HB2  LYS  62           HB2      LYS  62  -2.592   6.988 -10.030
  454    HB3  LYS  62           HB1      LYS  62  -2.332   8.713  -9.786
  455    HG2  LYS  62           HG2      LYS  62  -0.640   8.321  -8.173
  456    HG3  LYS  62           HG1      LYS  62  -1.039   6.602  -8.074
  457    HD2  LYS  62           HD2      LYS  62   0.962   6.851  -9.382
  458    HD3  LYS  62           HD1      LYS  62  -0.349   6.363 -10.448
  459    HE2  LYS  62           HE2      LYS  62   0.944   8.076 -11.530
  460    HE3  LYS  62           HE1      LYS  62  -0.641   8.725 -11.118
  461    HZ1  LYS  62           HZ1      LYS  62   1.811   9.140  -9.494
  462    HZ2  LYS  62           HZ2      LYS  62   0.303   9.869  -9.260
  463    HZ3  LYS  62           HZ3      LYS  62   1.217  10.249 -10.628
  464    H    VAL  63           HN       VAL  63  -3.129   7.583  -5.735
  465    HA   VAL  63           HA       VAL  63  -3.136  10.496  -5.336
  466    HB   VAL  63           HB       VAL  63  -3.804  10.170  -3.083
  467   HG11  VAL  63          HG11      VAL  63  -5.908   8.945  -3.326
  468   HG12  VAL  63          HG12      VAL  63  -5.324   8.272  -4.848
  469   HG13  VAL  63          HG13      VAL  63  -5.593  10.010  -4.698
  470   HG21  VAL  63          HG21      VAL  63  -3.414   7.213  -3.501
  471   HG22  VAL  63          HG22      VAL  63  -4.088   7.965  -2.056
  472   HG23  VAL  63          HG23      VAL  63  -2.410   8.266  -2.507
  473    H    TYR  64           HN       TYR  64  -1.267   7.589  -4.783
  474    HA   TYR  64           HA       TYR  64   1.010   9.264  -4.049
  475    HB2  TYR  64           HB2      TYR  64  -0.130   8.415  -1.962
  476    HB3  TYR  64           HB1      TYR  64   0.253   6.780  -2.494
  477    HD1  TYR  64           HD1      TYR  64   2.467   5.908  -2.283
  478    HD2  TYR  64           HD2      TYR  64   1.664   9.947  -1.248
  479    HE1  TYR  64           HE1      TYR  64   4.641   6.038  -1.147
  480    HE2  TYR  64           HE2      TYR  64   3.842  10.096  -0.115
  481    HH   TYR  64           HH       TYR  64   5.459   8.480   0.979
  482    H    THR  65           HN       THR  65   2.815   8.631  -5.043
  483    HA   THR  65           HA       THR  65   2.877   5.955  -6.293
  484    HB   THR  65           HB       THR  65   4.293   8.317  -7.502
  485    HG1  THR  65           HG1      THR  65   2.059   8.910  -7.173
  486   HG21  THR  65          HG21      THR  65   3.883   7.097  -9.592
  487   HG22  THR  65          HG22      THR  65   3.013   5.857  -8.692
  488   HG23  THR  65          HG23      THR  65   4.737   6.101  -8.416
  489    H    PHE  66           HN       PHE  66   4.958   4.889  -6.128
  490    HA   PHE  66           HA       PHE  66   7.169   6.375  -5.036
  491    HB2  PHE  66           HB2      PHE  66   7.369   5.196  -2.935
  492    HB3  PHE  66           HB1      PHE  66   5.814   6.009  -3.033
  493    HD1  PHE  66           HD1      PHE  66   7.521   2.767  -3.007
  494    HD2  PHE  66           HD2      PHE  66   3.752   4.738  -3.054
  495    HE1  PHE  66           HE1      PHE  66   6.422   0.667  -2.353
  496    HE2  PHE  66           HE2      PHE  66   2.635   2.632  -2.394
  497    HZ   PHE  66           HZ       PHE  66   3.985   0.601  -2.038
  498    H    ASN  67           HN       ASN  67   8.803   4.616  -4.069
  499    HA   ASN  67           HA       ASN  67   9.000   2.344  -5.923
  500    HB2  ASN  67           HB2      ASN  67  11.466   2.714  -5.992
  501    HB3  ASN  67           HB1      ASN  67  10.563   4.036  -6.732
  502   HD21  ASN  67          HD21      ASN  67  13.255   4.011  -5.692
  503   HD22  ASN  67          HD22      ASN  67  13.318   5.212  -4.450
  504    H    GLU  68           HN       GLU  68   9.489   0.439  -4.910
  505    HA   GLU  68           HA       GLU  68   9.208   0.387  -2.099
  506    HB2  GLU  68           HB2      GLU  68   9.951  -1.755  -4.051
  507    HB3  GLU  68           HB1      GLU  68   9.875  -2.054  -2.329
  508    HG2  GLU  68           HG2      GLU  68   7.489  -1.276  -2.410
  509    HG3  GLU  68           HG1      GLU  68   7.638  -1.331  -4.172
  510    H    LYS  69           HN       LYS  69  12.005   0.926  -3.924
  511    HA   LYS  69           HA       LYS  69  13.739  -0.273  -1.919
  512    HB2  LYS  69           HB2      LYS  69  15.589   0.346  -3.321
  513    HB3  LYS  69           HB1      LYS  69  14.351  -0.413  -4.314
  514    HG2  LYS  69           HG2      LYS  69  13.589   1.823  -5.012
  515    HG3  LYS  69           HG1      LYS  69  14.917   2.529  -4.083
  516    HD2  LYS  69           HD2      LYS  69  15.475   0.416  -6.131
  517    HD3  LYS  69           HD1      LYS  69  15.292   2.094  -6.627
  518    HE2  LYS  69           HE2      LYS  69  17.245   1.069  -4.569
  519    HE3  LYS  69           HE1      LYS  69  17.642   1.468  -6.236
  520    HZ1  LYS  69           HZ1      LYS  69  16.645   3.373  -4.185
  521    HZ2  LYS  69           HZ2      LYS  69  16.995   3.765  -5.791
  522    HZ3  LYS  69           HZ3      LYS  69  18.233   3.265  -4.754
  523    H    SER  70           HN       SER  70  11.949   2.393  -1.916
  524    HA   SER  70           HA       SER  70  13.906   4.218  -0.894
  525    HB2  SER  70           HB2      SER  70  11.753   4.944  -2.005
  526    HB3  SER  70           HB1      SER  70  10.891   4.344  -0.587
  527    HG   SER  70           HG       SER  70  12.784   6.458  -0.710
  528    H    THR  71           HN       THR  71  12.145   4.974   1.448
  529    HA   THR  71           HA       THR  71  12.598   2.598   3.116
  530    HB   THR  71           HB       THR  71  12.154   4.590   4.916
  531    HG1  THR  71           HG1      THR  71  12.544   6.484   4.052
  532   HG21  THR  71          HG21      THR  71  14.786   3.810   3.664
  533   HG22  THR  71          HG22      THR  71  13.995   3.025   5.030
  534   HG23  THR  71          HG23      THR  71  14.616   4.668   5.194
  535    H    VAL  72           HN       VAL  72  10.846   1.563   3.699
  536    HA   VAL  72           HA       VAL  72   8.426   2.289   2.494
  537    HB   VAL  72           HB       VAL  72   8.561   0.168   4.608
  538   HG11  VAL  72          HG11      VAL  72   7.128   0.400   1.968
  539   HG12  VAL  72          HG12      VAL  72   6.419   0.618   3.570
  540   HG13  VAL  72          HG13      VAL  72   7.026  -0.966   3.081
  541   HG21  VAL  72          HG21      VAL  72   9.680   0.002   1.808
  542   HG22  VAL  72          HG22      VAL  72   9.371  -1.387   2.848
  543   HG23  VAL  72          HG23      VAL  72  10.571  -0.186   3.319
  544    H    GLY  73           HN       GLY  73   9.688   3.214   5.492
  545    HA2  GLY  73           HA2      GLY  73   7.141   3.447   6.859
  546    HA3  GLY  73           HA1      GLY  73   8.688   4.097   7.413
  547    H    ASN  74           HN       ASN  74   9.380   5.569   5.162
  548    HA   ASN  74           HA       ASN  74   7.787   7.915   5.409
  549    HB2  ASN  74           HB2      ASN  74   9.782   7.244   3.229
  550    HB3  ASN  74           HB1      ASN  74   9.190   8.846   3.648
  551   HD21  ASN  74          HD21      ASN  74   9.332   8.143   6.554
  552   HD22  ASN  74          HD22      ASN  74  11.014   8.272   6.948
  553    H    ILE  75           HN       ILE  75   7.905   5.192   3.280
  554    HA   ILE  75           HA       ILE  75   6.229   6.188   1.232
  555    HB   ILE  75           HB       ILE  75   6.867   3.371   2.107
  556   HG12  ILE  75          HG12      ILE  75   7.813   5.003  -0.266
  557   HG13  ILE  75          HG11      ILE  75   8.763   4.639   1.176
  558   HG21  ILE  75          HG21      ILE  75   4.667   3.467   1.012
  559   HG22  ILE  75          HG22      ILE  75   5.860   2.568   0.077
  560   HG23  ILE  75          HG23      ILE  75   5.427   4.208  -0.397
  561   HD11  ILE  75          HD11      ILE  75   8.815   2.316   0.628
  562   HD12  ILE  75          HD12      ILE  75   9.303   3.235  -0.794
  563   HD13  ILE  75          HD13      ILE  75   7.681   2.554  -0.698
  564    H    SER  76           HN       SER  76   5.458   3.689   3.672
  565    HA   SER  76           HA       SER  76   2.747   3.648   2.957
  566    HB2  SER  76           HB2      SER  76   3.775   2.664   5.596
  567    HB3  SER  76           HB1      SER  76   2.462   2.013   4.611
  568    HG   SER  76           HG       SER  76   5.135   1.494   4.493
  569    H    ASN  77           HN       ASN  77   4.393   5.179   5.630
  570    HA   ASN  77           HA       ASN  77   1.867   5.833   6.825
  571    HB2  ASN  77           HB2      ASN  77   4.685   6.326   7.734
  572    HB3  ASN  77           HB1      ASN  77   3.282   6.989   8.581
  573   HD21  ASN  77          HD21      ASN  77   1.558   4.795   7.979
  574   HD22  ASN  77          HD22      ASN  77   2.041   3.461   8.959
  575    H    ASP  78           HN       ASP  78   3.983   7.460   4.642
  576    HA   ASP  78           HA       ASP  78   2.785  10.023   4.990
  577    HB2  ASP  78           HB2      ASP  78   4.177   8.682   2.709
  578    HB3  ASP  78           HB1      ASP  78   3.254  10.148   2.404
  579    H    ILE  79           HN       ILE  79   1.988   7.147   3.114
  580    HA   ILE  79           HA       ILE  79  -0.382   8.018   1.906
  581    HB   ILE  79           HB       ILE  79   0.182   5.249   2.991
  582   HG12  ILE  79          HG12      ILE  79   0.735   6.356   0.228
  583   HG13  ILE  79          HG11      ILE  79   1.961   6.075   1.466
  584   HG21  ILE  79          HG21      ILE  79  -2.157   5.581   2.428
  585   HG22  ILE  79          HG22      ILE  79  -1.393   4.492   1.271
  586   HG23  ILE  79          HG23      ILE  79  -1.706   6.170   0.827
  587   HD11  ILE  79          HD11      ILE  79   1.978   4.267  -0.113
  588   HD12  ILE  79          HD12      ILE  79   0.251   3.999   0.117
  589   HD13  ILE  79          HD13      ILE  79   1.376   3.675   1.435
  590    H    ASN  80           HN       ASN  80   0.381   7.080   5.151
  591    HA   ASN  80           HA       ASN  80  -2.307   6.819   6.019
  592    HB2  ASN  80           HB2      ASN  80   0.286   7.127   7.529
  593    HB3  ASN  80           HB1      ASN  80  -1.264   6.998   8.343
  594   HD21  ASN  80          HD21      ASN  80  -0.367   5.179   9.370
  595   HD22  ASN  80          HD22      ASN  80  -0.331   3.647   8.574
  596    H    LYS  81           HN       LYS  81   0.062   9.413   6.060
  597    HA   LYS  81           HA       LYS  81  -1.305  11.234   7.646
  598    HB2  LYS  81           HB2      LYS  81   0.289  11.840   5.145
  599    HB3  LYS  81           HB1      LYS  81  -0.119  12.994   6.410
  600    HG2  LYS  81           HG2      LYS  81   1.418  10.536   7.110
  601    HG3  LYS  81           HG1      LYS  81   2.239  11.882   6.326
  602    HD2  LYS  81           HD2      LYS  81   2.484  12.057   8.726
  603    HD3  LYS  81           HD1      LYS  81   1.474  13.373   8.134
  604    HE2  LYS  81           HE2      LYS  81  -0.507  12.292   8.920
  605    HE3  LYS  81           HE1      LYS  81   0.384  10.824   9.316
  606    HZ1  LYS  81           HZ1      LYS  81   0.771  13.465  10.609
  607    HZ2  LYS  81           HZ2      LYS  81   1.560  12.029  11.023
  608    HZ3  LYS  81           HZ3      LYS  81  -0.104  12.180  11.267
  609    H    LEU  82           HN       LEU  82  -1.663  10.423   4.273
  610    HA   LEU  82           HA       LEU  82  -3.511  12.316   3.433
  611    HB2  LEU  82           HB2      LEU  82  -3.798   9.480   2.546
  612    HB3  LEU  82           HB1      LEU  82  -3.843  10.955   1.593
  613    HG   LEU  82           HG       LEU  82  -1.355   9.628   2.731
  614   HD11  LEU  82          HD11      LEU  82  -2.301   8.418   0.849
  615   HD12  LEU  82          HD12      LEU  82  -0.836   9.258   0.339
  616   HD13  LEU  82          HD13      LEU  82  -2.418   9.902  -0.095
  617   HD21  LEU  82          HD21      LEU  82  -1.660  12.105   0.996
  618   HD22  LEU  82          HD22      LEU  82  -0.135  11.325   1.418
  619   HD23  LEU  82          HD23      LEU  82  -1.122  12.070   2.676
  620    H    ASN  83           HN       ASN  83  -3.904   9.497   5.423
  621    HA   ASN  83           HA       ASN  83  -5.714   8.124   5.868
  622    HB2  ASN  83           HB2      ASN  83  -5.971  10.737   7.093
  623    HB3  ASN  83           HB1      ASN  83  -7.536   9.951   6.904
  624   HD21  ASN  83          HD21      ASN  83  -4.547   8.161   7.296
  625   HD22  ASN  83          HD22      ASN  83  -4.889   7.553   8.886
  626    H    ILE  84           HN       ILE  84  -6.302   7.443   3.857
  627    HA   ILE  84           HA       ILE  84  -7.571   9.033   1.947
  628    HB   ILE  84           HB       ILE  84  -7.619   6.029   2.017
  629   HG12  ILE  84          HG12      ILE  84  -5.450   7.922   1.101
  630   HG13  ILE  84          HG11      ILE  84  -5.367   6.792   2.468
  631   HG21  ILE  84          HG21      ILE  84  -7.609   7.999  -0.273
  632   HG22  ILE  84          HG22      ILE  84  -8.999   7.066   0.280
  633   HG23  ILE  84          HG23      ILE  84  -7.608   6.242  -0.423
  634   HD11  ILE  84          HD11      ILE  84  -5.642   6.030  -0.441
  635   HD12  ILE  84          HD12      ILE  84  -5.519   4.917   0.920
  636   HD13  ILE  84          HD13      ILE  84  -4.156   5.959   0.509
  637    H    LYS  85           HN       LYS  85  -9.539   9.535   1.554
  638    HA   LYS  85           HA       LYS  85 -11.785   8.473   3.029
  639    HB2  LYS  85           HB2      LYS  85 -13.085  10.082   1.585
  640    HB3  LYS  85           HB1      LYS  85 -11.785  10.822   2.522
  641    HG2  LYS  85           HG2      LYS  85 -10.741   9.993  -0.045
  642    HG3  LYS  85           HG1      LYS  85 -12.174  11.019  -0.249
  643    HD2  LYS  85           HD2      LYS  85 -11.189  12.801   0.921
  644    HD3  LYS  85           HD1      LYS  85  -9.944  11.764   1.618
  645    HE2  LYS  85           HE2      LYS  85  -9.037  13.184  -0.154
  646    HE3  LYS  85           HE1      LYS  85  -8.929  11.473  -0.574
  647    HZ1  LYS  85           HZ1      LYS  85 -11.003  13.366  -1.548
  648    HZ2  LYS  85           HZ2      LYS  85 -10.887  11.730  -1.966
  649    HZ3  LYS  85           HZ3      LYS  85  -9.678  12.814  -2.440
  650    H    GLY  86           HN       GLY  86 -10.604   6.406   1.738
  651    HA2  GLY  86           HA2      GLY  86 -11.925   6.118  -0.871
  652    HA3  GLY  86           HA1      GLY  86 -10.442   5.311  -0.394
  653    HA   PRO  87           HA       PRO  87 -14.198   2.650   0.827
  654    HB2  PRO  87           HB2      PRO  87 -15.457   1.906  -1.406
  655    HB3  PRO  87           HB1      PRO  87 -15.864   3.435  -0.609
  656    HG2  PRO  87           HG2      PRO  87 -14.065   2.949  -2.964
  657    HG3  PRO  87           HG1      PRO  87 -15.353   4.162  -2.783
  658    HD2  PRO  87           HD2      PRO  87 -12.719   4.725  -2.390
  659    HD3  PRO  87           HD1      PRO  87 -14.024   5.560  -1.516
  660    H    TYR  88           HN       TYR  88 -12.545   2.367  -2.302
  661    HA   TYR  88           HA       TYR  88 -11.320  -0.112  -1.425
  662    HB2  TYR  88           HB2      TYR  88 -13.204  -0.912  -2.679
  663    HB3  TYR  88           HB1      TYR  88 -12.895   0.238  -3.981
  664    HD1  TYR  88           HD1      TYR  88 -11.516  -2.783  -2.294
  665    HD2  TYR  88           HD2      TYR  88 -11.524  -0.353  -5.788
  666    HE1  TYR  88           HE1      TYR  88 -10.201  -4.486  -3.477
  667    HE2  TYR  88           HE2      TYR  88 -10.209  -2.052  -6.978
  668    HH   TYR  88           HH       TYR  88  -8.648  -3.882  -6.417
  669    H    ILE  89           HN       ILE  89  -9.188  -0.045  -1.811
  670    HA   ILE  89           HA       ILE  89  -8.259   2.020  -3.684
  671    HB   ILE  89           HB       ILE  89  -6.998   1.196  -1.064
  672   HG12  ILE  89          HG12      ILE  89  -7.246   3.820  -0.829
  673   HG13  ILE  89          HG11      ILE  89  -8.523   3.574  -2.025
  674   HG21  ILE  89          HG21      ILE  89  -5.989   3.148  -3.125
  675   HG22  ILE  89          HG22      ILE  89  -5.284   1.575  -2.755
  676   HG23  ILE  89          HG23      ILE  89  -5.273   2.853  -1.540
  677   HD11  ILE  89          HD11      ILE  89  -9.371   3.605   0.270
  678   HD12  ILE  89          HD12      ILE  89  -8.363   2.209   0.651
  679   HD13  ILE  89          HD13      ILE  89  -9.666   2.063  -0.529
  680    H    GLU  90           HN       GLU  90  -6.859   1.501  -5.172
  681    HA   GLU  90           HA       GLU  90  -5.951  -1.252  -5.395
  682    HB2  GLU  90           HB2      GLU  90  -5.967   1.121  -7.232
  683    HB3  GLU  90           HB1      GLU  90  -5.170  -0.387  -7.656
  684    HG2  GLU  90           HG2      GLU  90  -8.063  -0.251  -6.866
  685    HG3  GLU  90           HG1      GLU  90  -7.523  -0.040  -8.536
  686    H    ILE  91           HN       ILE  91  -4.169  -1.603  -4.196
  687    HA   ILE  91           HA       ILE  91  -1.960   0.316  -4.476
  688    HB   ILE  91           HB       ILE  91  -2.414  -1.665  -2.229
  689   HG12  ILE  91          HG12      ILE  91  -3.113   1.225  -2.573
  690   HG13  ILE  91          HG11      ILE  91  -4.055  -0.071  -1.842
  691   HG21  ILE  91          HG21      ILE  91  -0.392   0.550  -2.505
  692   HG22  ILE  91          HG22      ILE  91  -0.062  -1.178  -2.570
  693   HG23  ILE  91          HG23      ILE  91  -0.634  -0.451  -1.075
  694   HD11  ILE  91          HD11      ILE  91  -1.626   1.232  -0.621
  695   HD12  ILE  91          HD12      ILE  91  -2.622  -0.025   0.120
  696   HD13  ILE  91          HD13      ILE  91  -3.306   1.568  -0.194
  697    H    LYS  92           HN       LYS  92  -0.766  -0.404  -6.141
  698    HA   LYS  92           HA       LYS  92   0.543  -2.966  -5.979
  699    HB2  LYS  92           HB2      LYS  92  -0.179  -3.834  -8.131
  700    HB3  LYS  92           HB1      LYS  92  -1.580  -3.609  -7.091
  701    HG2  LYS  92           HG2      LYS  92  -0.791  -1.487  -9.047
  702    HG3  LYS  92           HG1      LYS  92  -1.709  -2.898  -9.573
  703    HD2  LYS  92           HD2      LYS  92  -2.556  -1.119  -7.296
  704    HD3  LYS  92           HD1      LYS  92  -3.084  -0.880  -8.964
  705    HE2  LYS  92           HE2      LYS  92  -3.460  -3.459  -7.447
  706    HE3  LYS  92           HE1      LYS  92  -4.672  -2.180  -7.493
  707    HZ1  LYS  92           HZ1      LYS  92  -5.106  -3.887  -9.140
  708    HZ2  LYS  92           HZ2      LYS  92  -3.597  -3.623  -9.857
  709    HZ3  LYS  92           HZ3      LYS  92  -4.775  -2.409  -9.888
  710    H    GLN  93           HN       GLN  93   2.004  -3.209  -8.024
  711    HA   GLN  93           HA       GLN  93   3.171  -0.574  -8.416
  712    HB2  GLN  93           HB2      GLN  93   5.192  -1.718  -9.121
  713    HB3  GLN  93           HB1      GLN  93   4.638  -2.313  -7.568
  714    HG2  GLN  93           HG2      GLN  93   5.193  -4.277  -8.592
  715    HG3  GLN  93           HG1      GLN  93   3.491  -4.158  -9.044
  716   HE21  GLN  93          HE21      GLN  93   6.045  -2.200 -10.427
  717   HE22  GLN  93          HE22      GLN  93   5.956  -2.876 -12.013
  718    H    ILE  94           HN       ILE  94   4.295  -0.284 -10.601
  719    HA   ILE  94           HA       ILE  94   2.394  -0.941 -12.732
  720    HB   ILE  94           HB       ILE  94   2.716   1.562 -13.389
  721   HG12  ILE  94          HG12      ILE  94   3.877   1.419 -10.702
  722   HG13  ILE  94          HG11      ILE  94   4.057   2.658 -11.940
  723   HG21  ILE  94          HG21      ILE  94   0.947   0.874 -11.064
  724   HG22  ILE  94          HG22      ILE  94   0.608   0.445 -12.742
  725   HG23  ILE  94          HG23      ILE  94   0.698   2.139 -12.266
  726   HD11  ILE  94          HD11      ILE  94   3.110   3.635  -9.981
  727   HD12  ILE  94          HD12      ILE  94   1.846   2.407  -9.922
  728   HD13  ILE  94          HD13      ILE  94   1.866   3.589 -11.235
  Start of MODEL    5
    1    H    ASP   1           HT1      ASP   1 -14.664  -6.233 -10.220
    2    HA   ASP   1           HA       ASP   1 -14.113  -7.060  -8.034
    3    HB2  ASP   1           HB2      ASP   1 -16.345  -5.013  -8.028
    4    HB3  ASP   1           HB1      ASP   1 -15.212  -5.281  -6.707
    5    H    ASN   2           HN       ASN   2 -14.655  -8.259  -6.263
    6    HA   ASN   2           HA       ASN   2 -17.297  -9.540  -6.383
    7    HB2  ASN   2           HB2      ASN   2 -14.723 -10.479  -5.091
    8    HB3  ASN   2           HB1      ASN   2 -16.260 -11.320  -4.946
    9   HD21  ASN   2          HD21      ASN   2 -13.595 -10.559  -7.007
   10   HD22  ASN   2          HD22      ASN   2 -14.001 -11.652  -8.282
   11    H    GLN   3           HN       GLN   3 -15.146  -7.717  -4.331
   12    HA   GLN   3           HA       GLN   3 -17.047  -7.817  -2.127
   13    HB2  GLN   3           HB2      GLN   3 -14.427  -6.347  -2.452
   14    HB3  GLN   3           HB1      GLN   3 -15.454  -6.202  -1.033
   15    HG2  GLN   3           HG2      GLN   3 -14.019  -7.780  -0.300
   16    HG3  GLN   3           HG1      GLN   3 -15.231  -8.822  -1.030
   17   HE21  GLN   3          HE21      GLN   3 -13.770 -10.482  -1.374
   18   HE22  GLN   3          HE22      GLN   3 -12.543 -10.400  -2.591
   19    H    LYS   4           HN       LYS   4 -17.654  -6.730  -4.772
   20    HA   LYS   4           HA       LYS   4 -17.518  -3.964  -4.936
   21    HB2  LYS   4           HB2      LYS   4 -17.943  -5.517  -6.797
   22    HB3  LYS   4           HB1      LYS   4 -19.537  -5.861  -6.153
   23    HG2  LYS   4           HG2      LYS   4 -18.775  -3.051  -6.844
   24    HG3  LYS   4           HG1      LYS   4 -19.243  -4.180  -8.113
   25    HD2  LYS   4           HD2      LYS   4 -21.383  -4.558  -6.993
   26    HD3  LYS   4           HD1      LYS   4 -20.909  -3.447  -5.706
   27    HE2  LYS   4           HE2      LYS   4 -21.186  -2.716  -8.619
   28    HE3  LYS   4           HE1      LYS   4 -22.394  -2.396  -7.376
   29    HZ1  LYS   4           HZ1      LYS   4 -19.630  -1.307  -7.434
   30    HZ2  LYS   4           HZ2      LYS   4 -20.772  -1.012  -6.224
   31    HZ3  LYS   4           HZ3      LYS   4 -21.040  -0.450  -7.795
   32    H    ALA   5           HN       ALA   5 -20.093  -6.025  -3.592
   33    HA   ALA   5           HA       ALA   5 -21.602  -3.658  -2.799
   34    HB1  ALA   5           HB1      ALA   5 -22.799  -5.605  -3.702
   35    HB2  ALA   5           HB2      ALA   5 -23.312  -5.214  -2.060
   36    HB3  ALA   5           HB3      ALA   5 -22.227  -6.573  -2.343
   37    H    LEU   6           HN       LEU   6 -19.073  -5.404  -1.586
   38    HA   LEU   6           HA       LEU   6 -19.867  -5.262   1.214
   39    HB2  LEU   6           HB2      LEU   6 -17.381  -6.352  -0.107
   40    HB3  LEU   6           HB1      LEU   6 -17.701  -6.410   1.619
   41    HG   LEU   6           HG       LEU   6 -19.358  -7.776  -0.507
   42   HD11  LEU   6          HD11      LEU   6 -18.423  -9.843   0.411
   43   HD12  LEU   6          HD12      LEU   6 -17.385  -8.897   1.478
   44   HD13  LEU   6          HD13      LEU   6 -17.170  -8.806  -0.269
   45   HD21  LEU   6          HD21      LEU   6 -20.692  -7.143   1.412
   46   HD22  LEU   6          HD22      LEU   6 -19.508  -7.861   2.501
   47   HD23  LEU   6          HD23      LEU   6 -20.429  -8.885   1.403
   48    H    GLU   7           HN       GLU   7 -17.345  -4.841   2.373
   49    HA   GLU   7           HA       GLU   7 -17.169  -2.041   2.429
   50    HB2  GLU   7           HB2      GLU   7 -15.285  -4.177   3.415
   51    HB3  GLU   7           HB1      GLU   7 -14.979  -2.464   3.653
   52    HG2  GLU   7           HG2      GLU   7 -15.950  -3.111   5.644
   53    HG3  GLU   7           HG1      GLU   7 -17.297  -2.411   4.753
   54    H    GLU   8           HN       GLU   8 -15.484  -4.420   0.517
   55    HA   GLU   8           HA       GLU   8 -14.486  -4.191  -1.523
   56    HB2  GLU   8           HB2      GLU   8 -14.663  -1.213  -1.031
   57    HB3  GLU   8           HB1      GLU   8 -14.051  -1.947  -2.505
   58    HG2  GLU   8           HG2      GLU   8 -16.200  -2.929  -2.964
   59    HG3  GLU   8           HG1      GLU   8 -16.831  -2.338  -1.428
   60    H    GLN   9           HN       GLN   9 -13.313  -2.394   1.196
   61    HA   GLN   9           HA       GLN   9 -10.580  -2.238   0.412
   62    HB2  GLN   9           HB2      GLN   9 -11.821  -2.092   3.161
   63    HB3  GLN   9           HB1      GLN   9 -10.194  -1.584   2.740
   64    HG2  GLN   9           HG2      GLN   9 -10.889   0.397   2.028
   65    HG3  GLN   9           HG1      GLN   9 -12.200  -0.309   1.083
   66   HE21  GLN   9          HE21      GLN   9 -13.457  -1.627   3.311
   67   HE22  GLN   9          HE22      GLN   9 -14.188  -0.393   4.282
   68    H    MET  10           HN       MET  10 -11.930  -4.980   0.488
   69    HA   MET  10           HA       MET  10 -10.741  -6.306   2.756
   70    HB2  MET  10           HB2      MET  10 -12.442  -7.329   0.498
   71    HB3  MET  10           HB1      MET  10 -11.844  -8.344   1.800
   72    HG2  MET  10           HG2      MET  10 -13.030  -6.939   3.420
   73    HG3  MET  10           HG1      MET  10 -13.674  -5.977   2.090
   74    HE1  MET  10           HE1      MET  10 -16.745  -8.069   3.428
   75    HE2  MET  10           HE2      MET  10 -16.099  -6.448   3.169
   76    HE3  MET  10           HE3      MET  10 -15.391  -7.495   4.399
   77    H    ASN  11           HN       ASN  11 -10.595  -8.792   0.927
   78    HA   ASN  11           HA       ASN  11  -7.898  -9.172   1.137
   79    HB2  ASN  11           HB2      ASN  11  -9.824 -10.484  -0.773
   80    HB3  ASN  11           HB1      ASN  11  -8.209 -11.084  -0.417
   81   HD21  ASN  11          HD21      ASN  11 -10.874 -12.266   0.029
   82   HD22  ASN  11          HD22      ASN  11 -10.937 -12.634   1.717
   83    H    SER  12           HN       SER  12  -9.436  -7.356  -1.362
   84    HA   SER  12           HA       SER  12  -7.644  -7.596  -3.458
   85    HB2  SER  12           HB2      SER  12  -9.004  -5.069  -2.490
   86    HB3  SER  12           HB1      SER  12  -8.323  -5.327  -4.101
   87    HG   SER  12           HG       SER  12 -10.296  -5.972  -4.506
   88    H    ILE  13           HN       ILE  13  -7.355  -5.677  -0.480
   89    HA   ILE  13           HA       ILE  13  -4.712  -4.781  -1.318
   90    HB   ILE  13           HB       ILE  13  -4.674  -3.484   0.801
   91   HG12  ILE  13          HG12      ILE  13  -7.151  -3.188   1.723
   92   HG13  ILE  13          HG11      ILE  13  -7.299  -4.856   1.184
   93   HG21  ILE  13          HG21      ILE  13  -6.345  -1.829   0.085
   94   HG22  ILE  13          HG22      ILE  13  -7.028  -3.023  -1.019
   95   HG23  ILE  13          HG23      ILE  13  -5.379  -2.446  -1.255
   96   HD11  ILE  13          HD11      ILE  13  -6.732  -4.747   3.532
   97   HD12  ILE  13          HD12      ILE  13  -5.289  -3.802   3.161
   98   HD13  ILE  13          HD13      ILE  13  -5.413  -5.474   2.613
   99    H    ASN  14           HN       ASN  14  -6.125  -7.217   0.688
  100    HA   ASN  14           HA       ASN  14  -3.841  -7.595   2.379
  101    HB2  ASN  14           HB2      ASN  14  -6.080  -9.511   1.792
  102    HB3  ASN  14           HB1      ASN  14  -4.920  -9.670   3.096
  103   HD21  ASN  14          HD21      ASN  14  -5.050  -8.264   4.867
  104   HD22  ASN  14          HD22      ASN  14  -6.490  -7.377   5.212
  105    H    SER  15           HN       SER  15  -4.955  -8.978  -0.657
  106    HA   SER  15           HA       SER  15  -3.061 -11.048  -0.832
  107    HB2  SER  15           HB2      SER  15  -3.407 -10.708  -3.376
  108    HB3  SER  15           HB1      SER  15  -4.834 -11.103  -2.412
  109    HG   SER  15           HG       SER  15  -5.534  -9.044  -2.569
  110    H    VAL  16           HN       VAL  16  -2.904  -7.626  -1.458
  111    HA   VAL  16           HA       VAL  16  -0.288  -7.569  -2.539
  112    HB   VAL  16           HB       VAL  16  -1.750  -5.425  -0.984
  113   HG11  VAL  16          HG11      VAL  16  -0.226  -3.866  -2.134
  114   HG12  VAL  16          HG12      VAL  16   0.650  -5.244  -2.804
  115   HG13  VAL  16          HG13      VAL  16   0.626  -4.974  -1.060
  116   HG21  VAL  16          HG21      VAL  16  -1.563  -5.913  -3.952
  117   HG22  VAL  16          HG22      VAL  16  -2.319  -4.514  -3.190
  118   HG23  VAL  16          HG23      VAL  16  -2.996  -6.125  -2.947
  119    H    ASN  17           HN       ASN  17  -1.613  -7.622   0.737
  120    HA   ASN  17           HA       ASN  17   0.755  -6.934   2.117
  121    HB2  ASN  17           HB2      ASN  17  -1.600  -8.633   2.960
  122    HB3  ASN  17           HB1      ASN  17  -0.286  -8.200   4.047
  123   HD21  ASN  17          HD21      ASN  17  -3.107  -7.554   4.208
  124   HD22  ASN  17          HD22      ASN  17  -3.211  -5.822   4.240
  125    H    ASP  18           HN       ASP  18  -0.489 -10.011   0.946
  126    HA   ASP  18           HA       ASP  18   1.471 -11.654   2.146
  127    HB2  ASP  18           HB2      ASP  18  -0.361 -12.044  -0.211
  128    HB3  ASP  18           HB1      ASP  18   0.796 -13.280   0.281
  129    H    LYS  19           HN       LYS  19   1.507  -9.692  -0.715
  130    HA   LYS  19           HA       LYS  19   3.840 -11.081  -1.773
  131    HB2  LYS  19           HB2      LYS  19   1.908  -9.101  -2.848
  132    HB3  LYS  19           HB1      LYS  19   3.541  -9.056  -3.499
  133    HG2  LYS  19           HG2      LYS  19   2.158 -10.434  -4.897
  134    HG3  LYS  19           HG1      LYS  19   3.347 -11.448  -4.074
  135    HD2  LYS  19           HD2      LYS  19   1.580 -11.986  -2.380
  136    HD3  LYS  19           HD1      LYS  19   0.425 -11.129  -3.401
  137    HE2  LYS  19           HE2      LYS  19   2.034 -13.566  -4.154
  138    HE3  LYS  19           HE1      LYS  19   0.303 -13.509  -3.831
  139    HZ1  LYS  19           HZ1      LYS  19   1.735 -12.228  -6.092
  140    HZ2  LYS  19           HZ2      LYS  19   0.100 -11.982  -5.746
  141    HZ3  LYS  19           HZ3      LYS  19   0.648 -13.521  -6.176
  142    H    LEU  20           HN       LEU  20   2.996  -8.158  -0.102
  143    HA   LEU  20           HA       LEU  20   5.580  -6.948  -0.523
  144    HB2  LEU  20           HB2      LEU  20   3.256  -6.202   1.232
  145    HB3  LEU  20           HB1      LEU  20   4.730  -5.252   1.116
  146    HG   LEU  20           HG       LEU  20   2.684  -5.752  -1.045
  147   HD11  LEU  20          HD11      LEU  20   2.198  -3.976   0.584
  148   HD12  LEU  20          HD12      LEU  20   2.461  -3.347  -1.041
  149   HD13  LEU  20          HD13      LEU  20   3.730  -3.203   0.174
  150   HD21  LEU  20          HD21      LEU  20   4.126  -4.471  -2.543
  151   HD22  LEU  20          HD22      LEU  20   4.912  -5.956  -2.023
  152   HD23  LEU  20          HD23      LEU  20   5.378  -4.413  -1.305
  153    H    ASN  21           HN       ASN  21   4.047  -8.903   1.927
  154    HA   ASN  21           HA       ASN  21   6.334  -8.596   3.692
  155    HB2  ASN  21           HB2      ASN  21   3.749 -10.145   3.873
  156    HB3  ASN  21           HB1      ASN  21   5.068 -10.426   5.012
  157   HD21  ASN  21          HD21      ASN  21   2.650  -8.132   3.915
  158   HD22  ASN  21          HD22      ASN  21   2.773  -7.072   5.281
  159    H    LYS  22           HN       LYS  22   7.866  -9.336   2.071
  160    HA   LYS  22           HA       LYS  22   7.675 -12.196   1.414
  161    HB2  LYS  22           HB2      LYS  22   9.416 -11.387  -0.429
  162    HB3  LYS  22           HB1      LYS  22   7.677 -11.310  -0.667
  163    HG2  LYS  22           HG2      LYS  22   8.754  -9.274  -1.430
  164    HG3  LYS  22           HG1      LYS  22   7.685  -8.944  -0.071
  165    HD2  LYS  22           HD2      LYS  22   9.608  -8.843   1.431
  166    HD3  LYS  22           HD1      LYS  22  10.686  -9.231   0.090
  167    HE2  LYS  22           HE2      LYS  22  10.481  -6.762   0.764
  168    HE3  LYS  22           HE1      LYS  22  10.322  -7.165  -0.950
  169    HZ1  LYS  22           HZ1      LYS  22   7.948  -7.021  -0.769
  170    HZ2  LYS  22           HZ2      LYS  22   8.626  -5.596  -0.172
  171    HZ3  LYS  22           HZ3      LYS  22   8.040  -6.759   0.901
  172    H    GLY  23           HN       GLY  23   9.679  -9.879   2.994
  173    HA2  GLY  23           HA2      GLY  23  11.464 -11.651   4.113
  174    HA3  GLY  23           HA1      GLY  23  12.180 -11.194   2.568
  175    H    LYS  24           HN       LYS  24  12.776  -8.984   2.223
  176    HA   LYS  24           HA       LYS  24  13.107  -7.393   4.629
  177    HB2  LYS  24           HB2      LYS  24  14.607  -7.677   2.372
  178    HB3  LYS  24           HB1      LYS  24  13.705  -6.203   1.990
  179    HG2  LYS  24           HG2      LYS  24  14.528  -5.133   3.973
  180    HG3  LYS  24           HG1      LYS  24  15.337  -6.618   4.491
  181    HD2  LYS  24           HD2      LYS  24  15.909  -5.408   1.831
  182    HD3  LYS  24           HD1      LYS  24  16.706  -4.792   3.283
  183    HE2  LYS  24           HE2      LYS  24  17.570  -7.041   3.739
  184    HE3  LYS  24           HE1      LYS  24  16.764  -7.643   2.293
  185    HZ1  LYS  24           HZ1      LYS  24  18.154  -6.241   0.941
  186    HZ2  LYS  24           HZ2      LYS  24  19.129  -7.186   1.943
  187    HZ3  LYS  24           HZ3      LYS  24  18.877  -5.557   2.308
  188    H    GLY  25           HN       GLY  25  12.589  -4.933   4.139
  189    HA2  GLY  25           HA2      GLY  25  10.803  -3.444   4.080
  190    HA3  GLY  25           HA1      GLY  25  11.033  -3.769   2.385
  191    H    LYS  26           HN       LYS  26   9.038  -4.207   5.147
  192    HA   LYS  26           HA       LYS  26   7.121  -5.599   3.400
  193    HB2  LYS  26           HB2      LYS  26   6.327  -6.856   5.363
  194    HB3  LYS  26           HB1      LYS  26   8.010  -7.176   4.952
  195    HG2  LYS  26           HG2      LYS  26   7.378  -5.145   7.036
  196    HG3  LYS  26           HG1      LYS  26   7.301  -6.863   7.430
  197    HD2  LYS  26           HD2      LYS  26   9.679  -5.312   6.429
  198    HD3  LYS  26           HD1      LYS  26   9.486  -6.082   8.003
  199    HE2  LYS  26           HE2      LYS  26   9.165  -8.239   6.538
  200    HE3  LYS  26           HE1      LYS  26  10.051  -7.288   5.339
  201    HZ1  LYS  26           HZ1      LYS  26  11.540  -8.641   6.656
  202    HZ2  LYS  26           HZ2      LYS  26  10.987  -7.930   8.088
  203    HZ3  LYS  26           HZ3      LYS  26  11.833  -7.002   6.953
  204    H    LEU  27           HN       LEU  27   5.049  -4.986   3.405
  205    HA   LEU  27           HA       LEU  27   4.329  -2.704   5.110
  206    HB2  LEU  27           HB2      LEU  27   4.945  -2.011   2.783
  207    HB3  LEU  27           HB1      LEU  27   3.627  -3.006   2.176
  208    HG   LEU  27           HG       LEU  27   2.010  -1.604   3.368
  209   HD11  LEU  27          HD11      LEU  27   3.318  -0.902   5.254
  210   HD12  LEU  27          HD12      LEU  27   2.792   0.527   4.364
  211   HD13  LEU  27          HD13      LEU  27   4.449  -0.051   4.203
  212   HD21  LEU  27          HD21      LEU  27   2.259   0.408   2.003
  213   HD22  LEU  27          HD22      LEU  27   2.613  -1.046   1.068
  214   HD23  LEU  27          HD23      LEU  27   3.931  -0.032   1.655
  215    H    SER  28           HN       SER  28   2.489  -2.976   6.173
  216    HA   SER  28           HA       SER  28   0.593  -5.013   5.206
  217    HB2  SER  28           HB2      SER  28   1.035  -3.945   8.010
  218    HB3  SER  28           HB1      SER  28  -0.189  -5.136   7.559
  219    HG   SER  28           HG       SER  28   1.312  -6.633   7.364
  220    H    LEU  29           HN       LEU  29  -1.070  -4.142   4.207
  221    HA   LEU  29           HA       LEU  29  -1.830  -1.360   4.556
  222    HB2  LEU  29           HB2      LEU  29  -2.751  -3.545   2.695
  223    HB3  LEU  29           HB1      LEU  29  -3.427  -1.929   2.689
  224    HG   LEU  29           HG       LEU  29  -1.296  -1.006   1.952
  225   HD11  LEU  29          HD11      LEU  29   0.580  -2.403   1.340
  226   HD12  LEU  29          HD12      LEU  29  -0.274  -3.839   1.906
  227   HD13  LEU  29          HD13      LEU  29   0.219  -2.597   3.056
  228   HD21  LEU  29          HD21      LEU  29  -2.819  -1.684   0.246
  229   HD22  LEU  29          HD22      LEU  29  -2.294  -3.362   0.373
  230   HD23  LEU  29          HD23      LEU  29  -1.191  -2.142  -0.260
  231    H    SER  30           HN       SER  30  -3.726  -0.585   5.431
  232    HA   SER  30           HA       SER  30  -5.945  -2.390   5.446
  233    HB2  SER  30           HB2      SER  30  -6.513  -1.929   7.857
  234    HB3  SER  30           HB1      SER  30  -5.101  -2.959   7.607
  235    HG   SER  30           HG       SER  30  -3.974  -0.740   7.721
  236    H    MET  31           HN       MET  31  -7.776  -1.377   4.937
  237    HA   MET  31           HA       MET  31  -7.955   1.540   5.340
  238    HB2  MET  31           HB2      MET  31  -8.934  -0.014   2.935
  239    HB3  MET  31           HB1      MET  31  -9.153   1.708   3.198
  240    HG2  MET  31           HG2      MET  31  -6.752   2.043   3.067
  241    HG3  MET  31           HG1      MET  31  -6.515   0.310   2.842
  242    HE1  MET  31           HE1      MET  31  -5.318   2.489   0.847
  243    HE2  MET  31           HE2      MET  31  -5.673   1.720  -0.700
  244    HE3  MET  31           HE3      MET  31  -5.108   0.748   0.660
  245    H    ASN  32           HN       ASN  32  -9.801   2.187   6.312
  246    HA   ASN  32           HA       ASN  32 -12.231   0.647   5.968
  247    HB2  ASN  32           HB2      ASN  32 -11.097  -0.374   7.953
  248    HB3  ASN  32           HB1      ASN  32 -11.200   1.193   8.758
  249   HD21  ASN  32          HD21      ASN  32 -13.205   1.955   9.440
  250   HD22  ASN  32          HD22      ASN  32 -14.583   0.907   9.579
  251    H    GLY  33           HN       GLY  33 -13.049   2.472   4.924
  252    HA2  GLY  33           HA2      GLY  33 -14.536   4.242   5.008
  253    HA3  GLY  33           HA1      GLY  33 -14.299   4.318   6.747
  254    H    ASN  34           HN       ASN  34 -12.702   5.692   7.595
  255    HA   ASN  34           HA       ASN  34 -11.526   7.562   5.637
  256    HB2  ASN  34           HB2      ASN  34 -13.473   8.388   7.168
  257    HB3  ASN  34           HB1      ASN  34 -12.253   8.399   8.434
  258   HD21  ASN  34          HD21      ASN  34 -10.135   9.140   6.432
  259   HD22  ASN  34          HD22      ASN  34 -10.397  10.837   6.140
  260    H    GLN  35           HN       GLN  35 -10.322   5.176   6.717
  261    HA   GLN  35           HA       GLN  35  -8.141   6.407   8.256
  262    HB2  GLN  35           HB2      GLN  35  -7.954   4.548   9.689
  263    HB3  GLN  35           HB1      GLN  35  -9.681   4.893   9.609
  264    HG2  GLN  35           HG2      GLN  35  -9.973   3.094   7.987
  265    HG3  GLN  35           HG1      GLN  35  -8.241   2.757   8.045
  266   HE21  GLN  35          HE21      GLN  35  -8.470   0.672   8.813
  267   HE22  GLN  35          HE22      GLN  35  -9.029   0.316  10.418
  268    H    LEU  36           HN       LEU  36  -6.205   6.184   7.352
  269    HA   LEU  36           HA       LEU  36  -5.694   3.687   5.886
  270    HB2  LEU  36           HB2      LEU  36  -5.627   5.825   4.462
  271    HB3  LEU  36           HB1      LEU  36  -4.193   6.253   5.366
  272    HG   LEU  36           HG       LEU  36  -3.625   5.281   3.193
  273   HD11  LEU  36          HD11      LEU  36  -2.037   4.910   4.973
  274   HD12  LEU  36          HD12      LEU  36  -2.106   3.494   3.923
  275   HD13  LEU  36          HD13      LEU  36  -2.912   3.471   5.491
  276   HD21  LEU  36          HD21      LEU  36  -4.979   2.777   4.170
  277   HD22  LEU  36          HD22      LEU  36  -4.140   2.997   2.635
  278   HD23  LEU  36          HD23      LEU  36  -5.631   3.879   2.960
  279    H    LYS  37           HN       LYS  37  -4.424   2.447   7.034
  280    HA   LYS  37           HA       LYS  37  -2.114   3.698   8.302
  281    HB2  LYS  37           HB2      LYS  37  -2.405   2.144  10.294
  282    HB3  LYS  37           HB1      LYS  37  -3.537   3.488  10.208
  283    HG2  LYS  37           HG2      LYS  37  -4.547   1.098   8.904
  284    HG3  LYS  37           HG1      LYS  37  -4.159   0.835  10.604
  285    HD2  LYS  37           HD2      LYS  37  -5.801   3.184   9.693
  286    HD3  LYS  37           HD1      LYS  37  -6.529   1.614  10.038
  287    HE2  LYS  37           HE2      LYS  37  -5.588   1.702  12.311
  288    HE3  LYS  37           HE1      LYS  37  -4.919   3.292  11.962
  289    HZ1  LYS  37           HZ1      LYS  37  -7.145   4.148  11.663
  290    HZ2  LYS  37           HZ2      LYS  37  -7.015   3.415  13.178
  291    HZ3  LYS  37           HZ3      LYS  37  -7.811   2.614  11.924
  292    H    ALA  38           HN       ALA  38  -0.341   2.533   8.003
  293    HA   ALA  38           HA       ALA  38  -0.508  -0.178   6.971
  294    HB1  ALA  38           HB1      ALA  38   0.787   0.352   4.972
  295    HB2  ALA  38           HB2      ALA  38   0.780   2.062   5.400
  296    HB3  ALA  38           HB3      ALA  38  -0.730   1.252   4.979
  297    H    THR  39           HN       THR  39   1.011  -1.300   7.954
  298    HA   THR  39           HA       THR  39   3.085   0.204   9.355
  299    HB   THR  39           HB       THR  39   3.365  -1.749  10.758
  300    HG1  THR  39           HG1      THR  39   2.867  -3.197   8.895
  301   HG21  THR  39          HG21      THR  39   0.438  -1.149  10.301
  302   HG22  THR  39          HG22      THR  39   1.528  -0.264  11.368
  303   HG23  THR  39          HG23      THR  39   1.105  -1.936  11.731
  304    H    SER  40           HN       SER  40   5.049   0.190   8.701
  305    HA   SER  40           HA       SER  40   5.983  -1.895   6.862
  306    HB2  SER  40           HB2      SER  40   7.729  -0.243   6.226
  307    HB3  SER  40           HB1      SER  40   6.091   0.340   5.907
  308    HG   SER  40           HG       SER  40   7.304   0.928   8.368
  309    H    SER  41           HN       SER  41   7.228  -3.353   7.758
  310    HA   SER  41           HA       SER  41   8.585  -2.659  10.255
  311    HB2  SER  41           HB2      SER  41   6.977  -4.591  10.256
  312    HB3  SER  41           HB1      SER  41   8.042  -5.417   9.126
  313    HG   SER  41           HG       SER  41   8.591  -4.649  11.802
  314    H    ASN  42           HN       ASN  42  10.557  -4.490  10.349
  315    HA   ASN  42           HA       ASN  42  12.692  -4.910   9.691
  316    HB2  ASN  42           HB2      ASN  42  11.474  -4.762   7.222
  317    HB3  ASN  42           HB1      ASN  42  12.725  -3.538   7.110
  318   HD21  ASN  42          HD21      ASN  42  14.533  -4.939   8.922
  319   HD22  ASN  42          HD22      ASN  42  15.149  -6.291   8.028
  320    H    ALA  43           HN       ALA  43  11.551  -2.431  10.857
  321    HA   ALA  43           HA       ALA  43  12.349  -0.511  11.767
  322    HB1  ALA  43           HB1      ALA  43  15.014  -1.796  11.210
  323    HB2  ALA  43           HB2      ALA  43  13.986  -2.117  12.607
  324    HB3  ALA  43           HB3      ALA  43  14.692  -0.516  12.380
  325    H    GLY  44           HN       GLY  44  11.779  -0.289   8.985
  326    HA2  GLY  44           HA2      GLY  44  11.847   1.693   7.723
  327    HA3  GLY  44           HA1      GLY  44  13.359   2.117   8.513
  328    H    TYR  45           HN       TYR  45  13.932  -0.957   7.665
  329    HA   TYR  45           HA       TYR  45  15.538  -0.314   5.431
  330    HB2  TYR  45           HB2      TYR  45  14.564  -2.953   6.513
  331    HB3  TYR  45           HB1      TYR  45  15.571  -2.849   5.073
  332    HD1  TYR  45           HD1      TYR  45  15.738  -3.468   8.488
  333    HD2  TYR  45           HD2      TYR  45  17.697  -1.198   5.460
  334    HE1  TYR  45           HE1      TYR  45  17.771  -3.418   9.846
  335    HE2  TYR  45           HE2      TYR  45  19.739  -1.148   6.826
  336    HH   TYR  45           HH       TYR  45  20.171  -3.140   9.553
  337    H    GLY  46           HN       GLY  46  15.277  -0.670   3.271
  338    HA2  GLY  46           HA2      GLY  46  12.537  -0.664   2.330
  339    HA3  GLY  46           HA1      GLY  46  13.982  -0.414   1.360
  340    H    ILE  47           HN       ILE  47  12.597  -1.824  -0.033
  341    HA   ILE  47           HA       ILE  47  12.228  -4.560   0.395
  342    HB   ILE  47           HB       ILE  47  12.968  -3.158  -2.142
  343   HG12  ILE  47          HG12      ILE  47  10.997  -2.108  -1.356
  344   HG13  ILE  47          HG11      ILE  47  10.440  -3.288  -2.540
  345   HG21  ILE  47          HG21      ILE  47  11.756  -5.054  -3.245
  346   HG22  ILE  47          HG22      ILE  47  11.791  -5.873  -1.684
  347   HG23  ILE  47          HG23      ILE  47  13.301  -5.455  -2.492
  348   HD11  ILE  47          HD11      ILE  47   8.982  -3.346  -0.670
  349   HD12  ILE  47          HD12      ILE  47  10.334  -3.527   0.446
  350   HD13  ILE  47          HD13      ILE  47   9.938  -4.829  -0.674
  351    H    SER  48           HN       SER  48  14.740  -3.013  -1.533
  352    HA   SER  48           HA       SER  48  16.769  -4.626  -0.461
  353    HB2  SER  48           HB2      SER  48  17.298  -5.846  -2.603
  354    HB3  SER  48           HB1      SER  48  15.801  -6.365  -1.815
  355    HG   SER  48           HG       SER  48  15.491  -6.050  -4.062
  356    H    TYR  49           HN       TYR  49  16.576  -3.705  -3.810
  357    HA   TYR  49           HA       TYR  49  17.839  -1.157  -3.553
  358    HB2  TYR  49           HB2      TYR  49  20.035  -1.795  -4.480
  359    HB3  TYR  49           HB1      TYR  49  19.725  -2.583  -2.941
  360    HD1  TYR  49           HD1      TYR  49  19.498  -4.977  -2.756
  361    HD2  TYR  49           HD2      TYR  49  19.973  -3.196  -6.610
  362    HE1  TYR  49           HE1      TYR  49  19.911  -7.185  -3.734
  363    HE2  TYR  49           HE2      TYR  49  20.386  -5.406  -7.574
  364    HH   TYR  49           HH       TYR  49  19.763  -8.299  -5.894
  365    H    GLU  50           HN       GLU  50  15.663  -2.656  -4.952
  366    HA   GLU  50           HA       GLU  50  16.606  -2.582  -7.729
  367    HB2  GLU  50           HB2      GLU  50  14.403  -4.233  -6.480
  368    HB3  GLU  50           HB1      GLU  50  14.872  -4.277  -8.179
  369    HG2  GLU  50           HG2      GLU  50  17.018  -5.173  -7.635
  370    HG3  GLU  50           HG1      GLU  50  16.738  -4.929  -5.910
  371    H    ASP  51           HN       ASP  51  15.536  -1.488  -9.228
  372    HA   ASP  51           HA       ASP  51  13.828   0.636  -8.348
  373    HB2  ASP  51           HB2      ASP  51  14.646  -0.197 -11.152
  374    HB3  ASP  51           HB1      ASP  51  13.864   1.322 -10.725
  375    H    LYS  52           HN       LYS  52  11.677   0.442  -8.126
  376    HA   LYS  52           HA       LYS  52  10.190  -1.079 -10.104
  377    HB2  LYS  52           HB2      LYS  52  10.401  -1.714  -7.262
  378    HB3  LYS  52           HB1      LYS  52   8.737  -1.516  -7.798
  379    HG2  LYS  52           HG2      LYS  52   9.138  -3.775  -8.054
  380    HG3  LYS  52           HG1      LYS  52   9.377  -3.137  -9.682
  381    HD2  LYS  52           HD2      LYS  52  11.176  -4.612  -9.334
  382    HD3  LYS  52           HD1      LYS  52  11.853  -2.996  -9.088
  383    HE2  LYS  52           HE2      LYS  52  12.605  -4.601  -7.381
  384    HE3  LYS  52           HE1      LYS  52  11.697  -3.259  -6.689
  385    HZ1  LYS  52           HZ1      LYS  52  10.500  -5.900  -7.310
  386    HZ2  LYS  52           HZ2      LYS  52   9.798  -4.636  -6.424
  387    HZ3  LYS  52           HZ3      LYS  52  11.119  -5.488  -5.793
  388    H    ASN  53           HN       ASN  53   8.469  -0.047 -10.778
  389    HA   ASN  53           HA       ASN  53   7.839   2.534  -9.657
  390    HB2  ASN  53           HB2      ASN  53   6.311   2.712 -11.638
  391    HB3  ASN  53           HB1      ASN  53   7.999   2.421 -12.064
  392   HD21  ASN  53          HD21      ASN  53   5.571   1.933 -13.550
  393   HD22  ASN  53          HD22      ASN  53   5.496   0.233 -13.900
  394    H    TRP  54           HN       TRP  54   6.261   2.901  -8.298
  395    HA   TRP  54           HA       TRP  54   4.389   0.711  -7.771
  396    HB2  TRP  54           HB2      TRP  54   6.260   2.055  -6.138
  397    HB3  TRP  54           HB1      TRP  54   4.635   2.495  -5.585
  398    HD1  TRP  54           HD1      TRP  54   6.988  -0.463  -5.816
  399    HE1  TRP  54           HE1      TRP  54   5.937  -2.408  -4.444
  400    HE3  TRP  54           HE3      TRP  54   2.513   1.629  -4.959
  401    HZ2  TRP  54           HZ2      TRP  54   3.403  -2.917  -3.179
  402    HZ3  TRP  54           HZ3      TRP  54   0.820   0.431  -3.733
  403    HH2  TRP  54           HH2      TRP  54   1.253  -1.805  -2.810
  404    H    GLY  55           HN       GLY  55   2.283   1.336  -6.702
  405    HA2  GLY  55           HA2      GLY  55   1.441   4.031  -7.361
  406    HA3  GLY  55           HA1      GLY  55   0.738   2.730  -8.278
  407    H    ILE  56           HN       ILE  56  -0.293   4.770  -6.305
  408    HA   ILE  56           HA       ILE  56  -2.081   2.750  -5.114
  409    HB   ILE  56           HB       ILE  56  -1.634   5.562  -4.089
  410   HG12  ILE  56          HG12      ILE  56  -0.825   2.851  -3.036
  411   HG13  ILE  56          HG11      ILE  56   0.252   4.138  -3.597
  412   HG21  ILE  56          HG21      ILE  56  -3.933   4.797  -3.772
  413   HG22  ILE  56          HG22      ILE  56  -3.079   4.862  -2.230
  414   HG23  ILE  56          HG23      ILE  56  -3.345   3.312  -3.027
  415   HD11  ILE  56          HD11      ILE  56   0.224   4.010  -1.173
  416   HD12  ILE  56          HD12      ILE  56  -1.518   4.275  -1.169
  417   HD13  ILE  56          HD13      ILE  56  -0.435   5.544  -1.735
  418    H    PHE  57           HN       PHE  57  -4.093   2.743  -5.817
  419    HA   PHE  57           HA       PHE  57  -4.932   4.933  -7.608
  420    HB2  PHE  57           HB2      PHE  57  -5.630   2.007  -7.907
  421    HB3  PHE  57           HB1      PHE  57  -5.963   3.303  -9.051
  422    HD1  PHE  57           HD1      PHE  57  -3.434   1.036  -7.718
  423    HD2  PHE  57           HD2      PHE  57  -4.216   4.187 -10.462
  424    HE1  PHE  57           HE1      PHE  57  -1.314   0.555  -8.865
  425    HE2  PHE  57           HE2      PHE  57  -2.099   3.707 -11.618
  426    HZ   PHE  57           HZ       PHE  57  -0.646   1.894 -10.817
  427    H    VAL  58           HN       VAL  58  -6.479   6.009  -6.522
  428    HA   VAL  58           HA       VAL  58  -8.462   4.530  -4.983
  429    HB   VAL  58           HB       VAL  58  -7.756   6.531  -3.892
  430   HG11  VAL  58          HG11      VAL  58  -6.817   7.708  -5.788
  431   HG12  VAL  58          HG12      VAL  58  -7.932   8.754  -4.909
  432   HG13  VAL  58          HG13      VAL  58  -8.432   8.008  -6.427
  433   HG21  VAL  58          HG21      VAL  58 -10.147   6.072  -3.720
  434   HG22  VAL  58          HG22      VAL  58 -10.446   7.053  -5.154
  435   HG23  VAL  58          HG23      VAL  58  -9.830   7.806  -3.683
  436    H    ASN  59           HN       ASN  59  -9.939   3.553  -6.173
  437    HA   ASN  59           HA       ASN  59 -11.591   3.160  -7.681
  438    HB2  ASN  59           HB2      ASN  59 -11.767   6.172  -7.927
  439    HB3  ASN  59           HB1      ASN  59 -13.003   5.012  -8.394
  440   HD21  ASN  59          HD21      ASN  59 -13.005   7.259  -6.488
  441   HD22  ASN  59          HD22      ASN  59 -13.540   6.589  -4.988
  442    H    GLY  60           HN       GLY  60  -8.807   3.395  -8.564
  443    HA2  GLY  60           HA2      GLY  60  -7.863   2.967 -10.660
  444    HA3  GLY  60           HA1      GLY  60  -9.329   3.579 -11.417
  445    H    GLU  61           HN       GLU  61  -8.341   5.739  -9.095
  446    HA   GLU  61           HA       GLU  61  -7.062   7.423 -11.138
  447    HB2  GLU  61           HB2      GLU  61  -9.209   8.243 -10.278
  448    HB3  GLU  61           HB1      GLU  61  -8.578   8.185  -8.637
  449    HG2  GLU  61           HG2      GLU  61  -6.943   9.906  -9.202
  450    HG3  GLU  61           HG1      GLU  61  -7.578   9.962 -10.850
  451    H    LYS  62           HN       LYS  62  -5.153   8.467 -10.692
  452    HA   LYS  62           HA       LYS  62  -3.396   7.253  -8.835
  453    HB2  LYS  62           HB2      LYS  62  -3.147   9.801 -10.440
  454    HB3  LYS  62           HB1      LYS  62  -1.839   9.114  -9.485
  455    HG2  LYS  62           HG2      LYS  62  -3.201   7.698 -11.767
  456    HG3  LYS  62           HG1      LYS  62  -1.700   8.621 -11.909
  457    HD2  LYS  62           HD2      LYS  62  -0.783   7.104 -10.084
  458    HD3  LYS  62           HD1      LYS  62  -2.200   6.089 -10.365
  459    HE2  LYS  62           HE2      LYS  62  -0.104   6.849 -12.398
  460    HE3  LYS  62           HE1      LYS  62  -0.298   5.271 -11.642
  461    HZ1  LYS  62           HZ1      LYS  62  -2.278   6.593 -13.418
  462    HZ2  LYS  62           HZ2      LYS  62  -2.464   5.075 -12.702
  463    HZ3  LYS  62           HZ3      LYS  62  -1.256   5.319 -13.857
  464    H    VAL  63           HN       VAL  63  -3.288   7.589  -6.722
  465    HA   VAL  63           HA       VAL  63  -3.928  10.276  -5.702
  466    HB   VAL  63           HB       VAL  63  -5.426   9.014  -4.517
  467   HG11  VAL  63          HG11      VAL  63  -3.455   6.741  -4.447
  468   HG12  VAL  63          HG12      VAL  63  -4.835   6.886  -5.534
  469   HG13  VAL  63          HG13      VAL  63  -5.094   6.709  -3.799
  470   HG21  VAL  63          HG21      VAL  63  -2.952   8.594  -2.837
  471   HG22  VAL  63          HG22      VAL  63  -4.623   8.573  -2.266
  472   HG23  VAL  63          HG23      VAL  63  -3.921  10.070  -2.880
  473    H    TYR  64           HN       TYR  64  -1.612   7.623  -5.568
  474    HA   TYR  64           HA       TYR  64   0.481   9.466  -4.844
  475    HB2  TYR  64           HB2      TYR  64  -0.506   8.895  -2.639
  476    HB3  TYR  64           HB1      TYR  64  -0.210   7.189  -2.968
  477    HD1  TYR  64           HD1      TYR  64   1.521  10.454  -2.541
  478    HD2  TYR  64           HD2      TYR  64   1.839   6.217  -2.398
  479    HE1  TYR  64           HE1      TYR  64   3.765  10.661  -1.564
  480    HE2  TYR  64           HE2      TYR  64   4.085   6.412  -1.422
  481    HH   TYR  64           HH       TYR  64   5.328   9.367  -0.225
  482    H    THR  65           HN       THR  65   2.584   8.575  -5.133
  483    HA   THR  65           HA       THR  65   2.736   5.845  -6.188
  484    HB   THR  65           HB       THR  65   2.466   7.464  -8.109
  485    HG1  THR  65           HG1      THR  65   3.660   5.418  -8.261
  486   HG21  THR  65          HG21      THR  65   4.374   8.865  -8.726
  487   HG22  THR  65          HG22      THR  65   5.197   8.406  -7.235
  488   HG23  THR  65          HG23      THR  65   3.710   9.352  -7.167
  489    H    PHE  66           HN       PHE  66   5.016   5.047  -6.201
  490    HA   PHE  66           HA       PHE  66   7.111   6.639  -5.146
  491    HB2  PHE  66           HB2      PHE  66   7.462   5.513  -3.004
  492    HB3  PHE  66           HB1      PHE  66   5.910   6.341  -3.044
  493    HD1  PHE  66           HD1      PHE  66   3.825   5.067  -3.053
  494    HD2  PHE  66           HD2      PHE  66   7.609   3.128  -2.832
  495    HE1  PHE  66           HE1      PHE  66   2.724   3.015  -2.244
  496    HE2  PHE  66           HE2      PHE  66   6.516   1.075  -2.038
  497    HZ   PHE  66           HZ       PHE  66   4.073   1.018  -1.739
  498    H    ASN  67           HN       ASN  67   8.853   4.849  -4.160
  499    HA   ASN  67           HA       ASN  67   9.061   2.738  -6.210
  500    HB2  ASN  67           HB2      ASN  67  11.128   4.754  -5.335
  501    HB3  ASN  67           HB1      ASN  67  11.582   3.246  -6.130
  502   HD21  ASN  67          HD21      ASN  67   9.318   3.203  -7.935
  503   HD22  ASN  67          HD22      ASN  67   9.595   4.455  -9.096
  504    H    GLU  68           HN       GLU  68   9.896   0.808  -5.515
  505    HA   GLU  68           HA       GLU  68   9.485   0.149  -2.824
  506    HB2  GLU  68           HB2      GLU  68  10.383  -1.259  -5.233
  507    HB3  GLU  68           HB1      GLU  68  10.909  -1.968  -3.725
  508    HG2  GLU  68           HG2      GLU  68   8.565  -2.033  -2.970
  509    HG3  GLU  68           HG1      GLU  68   8.078  -1.403  -4.541
  510    H    LYS  69           HN       LYS  69  12.452   0.965  -4.491
  511    HA   LYS  69           HA       LYS  69  14.099  -0.220  -2.433
  512    HB2  LYS  69           HB2      LYS  69  15.982   0.601  -3.766
  513    HB3  LYS  69           HB1      LYS  69  14.833  -0.292  -4.754
  514    HG2  LYS  69           HG2      LYS  69  13.832   1.959  -5.343
  515    HG3  LYS  69           HG1      LYS  69  15.281   2.659  -4.643
  516    HD2  LYS  69           HD2      LYS  69  16.661   1.272  -6.156
  517    HD3  LYS  69           HD1      LYS  69  15.176   0.727  -6.941
  518    HE2  LYS  69           HE2      LYS  69  16.151   2.513  -8.223
  519    HE3  LYS  69           HE1      LYS  69  14.650   3.075  -7.488
  520    HZ1  LYS  69           HZ1      LYS  69  15.933   4.183  -5.777
  521    HZ2  LYS  69           HZ2      LYS  69  16.415   4.716  -7.306
  522    HZ3  LYS  69           HZ3      LYS  69  17.377   3.620  -6.454
  523    H    SER  70           HN       SER  70  12.238   2.181  -2.020
  524    HA   SER  70           HA       SER  70  14.130   4.136  -1.045
  525    HB2  SER  70           HB2      SER  70  12.077   5.384  -0.347
  526    HB3  SER  70           HB1      SER  70  12.071   4.970  -2.063
  527    HG   SER  70           HG       SER  70  10.474   3.589  -1.749
  528    H    THR  71           HN       THR  71  12.448   4.799   1.323
  529    HA   THR  71           HA       THR  71  12.942   2.423   2.965
  530    HB   THR  71           HB       THR  71  12.833   4.070   4.895
  531    HG1  THR  71           HG1      THR  71  12.654   6.150   4.475
  532   HG21  THR  71          HG21      THR  71  15.061   4.396   2.889
  533   HG22  THR  71          HG22      THR  71  14.941   3.130   4.111
  534   HG23  THR  71          HG23      THR  71  15.151   4.811   4.600
  535    H    VAL  72           HN       VAL  72  11.148   1.345   3.424
  536    HA   VAL  72           HA       VAL  72   8.683   2.197   2.401
  537    HB   VAL  72           HB       VAL  72   8.780  -0.025   4.408
  538   HG11  VAL  72          HG11      VAL  72   7.454   0.238   1.714
  539   HG12  VAL  72          HG12      VAL  72   6.685   0.532   3.278
  540   HG13  VAL  72          HG13      VAL  72   7.251  -1.088   2.862
  541   HG21  VAL  72          HG21      VAL  72   9.601  -1.547   2.604
  542   HG22  VAL  72          HG22      VAL  72  10.814  -0.426   3.215
  543   HG23  VAL  72          HG23      VAL  72  10.033  -0.118   1.663
  544    H    GLY  73           HN       GLY  73  10.116   2.982   5.342
  545    HA2  GLY  73           HA2      GLY  73   7.618   3.155   6.839
  546    HA3  GLY  73           HA1      GLY  73   9.224   3.617   7.420
  547    H    ASN  74           HN       ASN  74   9.921   5.336   5.271
  548    HA   ASN  74           HA       ASN  74   8.513   7.701   6.001
  549    HB2  ASN  74           HB2      ASN  74  10.340   7.210   3.630
  550    HB3  ASN  74           HB1      ASN  74   9.785   8.788   4.176
  551   HD21  ASN  74          HD21      ASN  74  10.031   7.783   7.024
  552   HD22  ASN  74          HD22      ASN  74  11.728   7.927   7.362
  553    H    ILE  75           HN       ILE  75   8.347   5.393   3.400
  554    HA   ILE  75           HA       ILE  75   6.456   6.782   1.807
  555    HB   ILE  75           HB       ILE  75   7.002   3.815   1.973
  556   HG12  ILE  75          HG12      ILE  75   9.017   5.056   1.392
  557   HG13  ILE  75          HG11      ILE  75   8.416   4.188  -0.019
  558   HG21  ILE  75          HG21      ILE  75   5.620   5.435  -0.159
  559   HG22  ILE  75          HG22      ILE  75   4.856   4.291   0.944
  560   HG23  ILE  75          HG23      ILE  75   6.007   3.718  -0.263
  561   HD11  ILE  75          HD11      ILE  75   7.421   6.275  -0.843
  562   HD12  ILE  75          HD12      ILE  75   9.169   6.389  -0.640
  563   HD13  ILE  75          HD13      ILE  75   8.093   7.126   0.547
  564    H    SER  76           HN       SER  76   6.091   3.973   3.980
  565    HA   SER  76           HA       SER  76   3.408   3.568   3.588
  566    HB2  SER  76           HB2      SER  76   3.393   2.365   5.738
  567    HB3  SER  76           HB1      SER  76   4.771   1.930   4.722
  568    HG   SER  76           HG       SER  76   5.989   2.516   6.317
  569    H    ASN  77           HN       ASN  77   4.783   5.264   6.348
  570    HA   ASN  77           HA       ASN  77   2.156   5.867   7.259
  571    HB2  ASN  77           HB2      ASN  77   4.861   6.512   8.318
  572    HB3  ASN  77           HB1      ASN  77   3.445   7.360   8.940
  573   HD21  ASN  77          HD21      ASN  77   1.627   5.150   8.597
  574   HD22  ASN  77          HD22      ASN  77   2.005   3.987   9.820
  575    H    ASP  78           HN       ASP  78   4.247   7.648   5.116
  576    HA   ASP  78           HA       ASP  78   2.795  10.088   5.414
  577    HB2  ASP  78           HB2      ASP  78   4.572   8.992   3.323
  578    HB3  ASP  78           HB1      ASP  78   3.391  10.180   2.794
  579    H    ILE  79           HN       ILE  79   2.367   7.163   3.565
  580    HA   ILE  79           HA       ILE  79   0.041   7.807   2.170
  581    HB   ILE  79           HB       ILE  79   0.878   5.156   3.377
  582   HG12  ILE  79          HG12      ILE  79   1.159   6.202   0.549
  583   HG13  ILE  79          HG11      ILE  79   2.461   6.144   1.738
  584   HG21  ILE  79          HG21      ILE  79  -0.642   4.120   1.759
  585   HG22  ILE  79          HG22      ILE  79  -1.208   5.718   1.272
  586   HG23  ILE  79          HG23      ILE  79  -1.502   5.140   2.916
  587   HD11  ILE  79          HD11      ILE  79   2.542   4.290   0.127
  588   HD12  ILE  79          HD12      ILE  79   0.965   3.746   0.705
  589   HD13  ILE  79          HD13      ILE  79   2.353   3.737   1.791
  590    H    ASN  80           HN       ASN  80   0.605   7.402   5.536
  591    HA   ASN  80           HA       ASN  80  -2.164   6.867   6.143
  592    HB2  ASN  80           HB2      ASN  80   0.124   7.514   8.014
  593    HB3  ASN  80           HB1      ASN  80  -1.498   7.101   8.535
  594   HD21  ASN  80          HD21      ASN  80   0.401   5.616   5.954
  595   HD22  ASN  80          HD22      ASN  80   0.527   4.069   6.714
  596    H    LYS  81           HN       LYS  81   0.063   9.567   6.231
  597    HA   LYS  81           HA       LYS  81  -1.502  11.466   7.513
  598    HB2  LYS  81           HB2      LYS  81   0.401  11.747   5.176
  599    HB3  LYS  81           HB1      LYS  81  -0.305  13.122   6.021
  600    HG2  LYS  81           HG2      LYS  81   0.874  12.680   7.982
  601    HG3  LYS  81           HG1      LYS  81   1.229  11.021   7.503
  602    HD2  LYS  81           HD2      LYS  81   3.216  12.432   7.346
  603    HD3  LYS  81           HD1      LYS  81   2.731  11.839   5.763
  604    HE2  LYS  81           HE2      LYS  81   1.615  14.001   5.338
  605    HE3  LYS  81           HE1      LYS  81   2.237  14.587   6.882
  606    HZ1  LYS  81           HZ1      LYS  81   3.615  15.230   4.955
  607    HZ2  LYS  81           HZ2      LYS  81   3.942  13.592   4.661
  608    HZ3  LYS  81           HZ3      LYS  81   4.468  14.318   6.098
  609    H    LEU  82           HN       LEU  82  -1.543  10.328   4.206
  610    HA   LEU  82           HA       LEU  82  -3.407  11.983   3.020
  611    HB2  LEU  82           HB2      LEU  82  -3.494   9.022   2.570
  612    HB3  LEU  82           HB1      LEU  82  -3.647  10.323   1.399
  613    HG   LEU  82           HG       LEU  82  -1.079   9.380   2.735
  614   HD11  LEU  82          HD11      LEU  82  -0.468   8.780   0.420
  615   HD12  LEU  82          HD12      LEU  82  -2.074   9.260  -0.128
  616   HD13  LEU  82          HD13      LEU  82  -1.891   7.899   0.979
  617   HD21  LEU  82          HD21      LEU  82   0.040  11.017   1.281
  618   HD22  LEU  82          HD22      LEU  82  -1.054  11.815   2.410
  619   HD23  LEU  82          HD23      LEU  82  -1.524  11.613   0.723
  620    H    ASN  83           HN       ASN  83  -3.820   9.382   5.256
  621    HA   ASN  83           HA       ASN  83  -5.589   8.061   5.875
  622    HB2  ASN  83           HB2      ASN  83  -5.693  10.680   6.953
  623    HB3  ASN  83           HB1      ASN  83  -7.343  10.093   6.754
  624   HD21  ASN  83          HD21      ASN  83  -4.584   7.967   7.296
  625   HD22  ASN  83          HD22      ASN  83  -5.038   7.471   8.897
  626    H    ILE  84           HN       ILE  84  -6.693   6.929   4.630
  627    HA   ILE  84           HA       ILE  84  -7.843   7.461   2.244
  628    HB   ILE  84           HB       ILE  84  -7.506   5.236   3.729
  629   HG12  ILE  84          HG12      ILE  84  -8.672   3.996   1.976
  630   HG13  ILE  84          HG11      ILE  84  -9.393   5.503   1.395
  631   HG21  ILE  84          HG21      ILE  84 -10.489   5.656   3.665
  632   HG22  ILE  84          HG22      ILE  84  -9.474   5.596   5.106
  633   HG23  ILE  84          HG23      ILE  84  -9.670   4.157   4.104
  634   HD11  ILE  84          HD11      ILE  84  -6.434   4.959   1.482
  635   HD12  ILE  84          HD12      ILE  84  -7.240   6.355   0.767
  636   HD13  ILE  84          HD13      ILE  84  -7.455   4.756   0.061
  637    H    LYS  85           HN       LYS  85  -9.890   7.888   1.436
  638    HA   LYS  85           HA       LYS  85 -12.105   8.259   3.280
  639    HB2  LYS  85           HB2      LYS  85 -12.611  10.516   2.571
  640    HB3  LYS  85           HB1      LYS  85 -10.966  10.462   3.194
  641    HG2  LYS  85           HG2      LYS  85 -10.544  10.001   0.519
  642    HG3  LYS  85           HG1      LYS  85 -11.917  11.118   0.505
  643    HD2  LYS  85           HD2      LYS  85  -9.882  12.391   0.422
  644    HD3  LYS  85           HD1      LYS  85 -10.626  12.628   2.005
  645    HE2  LYS  85           HE2      LYS  85  -9.106  11.060   3.012
  646    HE3  LYS  85           HE1      LYS  85  -8.441  10.627   1.439
  647    HZ1  LYS  85           HZ1      LYS  85  -6.993  12.141   2.637
  648    HZ2  LYS  85           HZ2      LYS  85  -8.230  13.292   2.738
  649    HZ3  LYS  85           HZ3      LYS  85  -7.584  12.877   1.232
  650    H    GLY  86           HN       GLY  86 -11.217   6.538   1.015
  651    HA2  GLY  86           HA2      GLY  86 -13.511   6.998  -0.780
  652    HA3  GLY  86           HA1      GLY  86 -11.963   6.393  -1.357
  653    HA   PRO  87           HA       PRO  87 -14.744   2.846   0.015
  654    HB2  PRO  87           HB2      PRO  87 -15.779   1.992  -2.281
  655    HB3  PRO  87           HB1      PRO  87 -16.460   3.401  -1.450
  656    HG2  PRO  87           HG2      PRO  87 -14.550   3.305  -3.763
  657    HG3  PRO  87           HG1      PRO  87 -16.013   4.299  -3.570
  658    HD2  PRO  87           HD2      PRO  87 -13.479   5.215  -3.070
  659    HD3  PRO  87           HD1      PRO  87 -14.928   5.848  -2.260
  660    H    TYR  88           HN       TYR  88 -12.970   2.853  -3.098
  661    HA   TYR  88           HA       TYR  88 -11.664   0.380  -2.265
  662    HB2  TYR  88           HB2      TYR  88 -13.519  -0.224  -3.741
  663    HB3  TYR  88           HB1      TYR  88 -12.911   0.881  -4.974
  664    HD1  TYR  88           HD1      TYR  88 -12.131  -2.251  -3.132
  665    HD2  TYR  88           HD2      TYR  88 -11.287   0.165  -6.532
  666    HE1  TYR  88           HE1      TYR  88 -10.819  -4.084  -4.101
  667    HE2  TYR  88           HE2      TYR  88  -9.967  -1.665  -7.509
  668    HH   TYR  88           HH       TYR  88  -8.737  -3.672  -6.753
  669    H    ILE  89           HN       ILE  89  -9.655   1.055  -1.996
  670    HA   ILE  89           HA       ILE  89  -8.376   2.584  -4.171
  671    HB   ILE  89           HB       ILE  89  -7.678   2.748  -1.228
  672   HG12  ILE  89          HG12      ILE  89  -8.492   5.206  -1.670
  673   HG13  ILE  89          HG11      ILE  89  -9.408   4.457  -2.977
  674   HG21  ILE  89          HG21      ILE  89  -6.254   4.619  -1.904
  675   HG22  ILE  89          HG22      ILE  89  -6.694   4.343  -3.588
  676   HG23  ILE  89          HG23      ILE  89  -5.781   3.120  -2.705
  677   HD11  ILE  89          HD11      ILE  89  -9.587   3.720  -0.067
  678   HD12  ILE  89          HD12      ILE  89 -10.524   3.010  -1.382
  679   HD13  ILE  89          HD13      ILE  89 -10.743   4.707  -0.960
  680    H    GLU  90           HN       GLU  90  -6.589   1.647  -5.007
  681    HA   GLU  90           HA       GLU  90  -5.712  -0.846  -3.719
  682    HB2  GLU  90           HB2      GLU  90  -5.358   0.036  -6.576
  683    HB3  GLU  90           HB1      GLU  90  -4.928  -1.536  -5.907
  684    HG2  GLU  90           HG2      GLU  90  -7.335  -1.872  -5.340
  685    HG3  GLU  90           HG1      GLU  90  -7.691  -0.387  -6.218
  686    H    ILE  91           HN       ILE  91  -3.882  -0.712  -2.657
  687    HA   ILE  91           HA       ILE  91  -1.752   1.024  -3.654
  688    HB   ILE  91           HB       ILE  91  -1.880  -0.661  -1.141
  689   HG12  ILE  91          HG12      ILE  91  -2.297   2.296  -1.573
  690   HG13  ILE  91          HG11      ILE  91  -3.487   1.127  -1.002
  691   HG21  ILE  91          HG21      ILE  91   0.413  -0.332  -1.828
  692   HG22  ILE  91          HG22      ILE  91   0.069   0.634  -0.396
  693   HG23  ILE  91          HG23      ILE  91   0.143   1.403  -1.981
  694   HD11  ILE  91          HD11      ILE  91  -2.185   0.808   1.041
  695   HD12  ILE  91          HD12      ILE  91  -2.650   2.496   0.820
  696   HD13  ILE  91          HD13      ILE  91  -0.999   1.982   0.466
  697    H    LYS  92           HN       LYS  92  -0.835   0.044  -5.398
  698    HA   LYS  92           HA       LYS  92   0.482  -2.499  -5.125
  699    HB2  LYS  92           HB2      LYS  92  -0.775  -3.591  -6.976
  700    HB3  LYS  92           HB1      LYS  92  -1.787  -3.299  -5.562
  701    HG2  LYS  92           HG2      LYS  92  -3.241  -2.435  -7.032
  702    HG3  LYS  92           HG1      LYS  92  -2.177  -1.020  -6.994
  703    HD2  LYS  92           HD2      LYS  92  -2.575  -1.563  -9.281
  704    HD3  LYS  92           HD1      LYS  92  -0.914  -2.014  -8.897
  705    HE2  LYS  92           HE2      LYS  92  -1.948  -3.748 -10.236
  706    HE3  LYS  92           HE1      LYS  92  -1.644  -4.354  -8.606
  707    HZ1  LYS  92           HZ1      LYS  92  -3.839  -4.976  -9.458
  708    HZ2  LYS  92           HZ2      LYS  92  -4.261  -3.344  -9.585
  709    HZ3  LYS  92           HZ3      LYS  92  -3.956  -4.023  -8.065
  710    H    GLN  93           HN       GLN  93   1.969  -2.830  -6.848
  711    HA   GLN  93           HA       GLN  93   2.734  -0.308  -8.016
  712    HB2  GLN  93           HB2      GLN  93   4.816  -1.446  -8.623
  713    HB3  GLN  93           HB1      GLN  93   4.428  -1.623  -6.916
  714    HG2  GLN  93           HG2      GLN  93   3.464  -3.881  -7.506
  715    HG3  GLN  93           HG1      GLN  93   4.216  -3.678  -9.092
  716   HE21  GLN  93          HE21      GLN  93   6.462  -2.167  -7.924
  717   HE22  GLN  93          HE22      GLN  93   7.468  -3.346  -7.141
  718    H    ILE  94           HN       ILE  94   3.704  -0.318 -10.232
  719    HA   ILE  94           HA       ILE  94   1.735  -1.494 -12.057
  720    HB   ILE  94           HB       ILE  94   2.952   0.375 -13.582
  721   HG12  ILE  94          HG12      ILE  94   4.161   1.021 -11.301
  722   HG13  ILE  94          HG11      ILE  94   3.663   2.254 -12.448
  723   HG21  ILE  94          HG21      ILE  94   1.012   1.784 -13.154
  724   HG22  ILE  94          HG22      ILE  94   0.645   0.833 -11.717
  725   HG23  ILE  94          HG23      ILE  94   0.569   0.085 -13.315
  726   HD11  ILE  94          HD11      ILE  94   3.094   2.886 -10.184
  727   HD12  ILE  94          HD12      ILE  94   2.143   1.411  -9.996
  728   HD13  ILE  94          HD13      ILE  94   1.637   2.647 -11.149
  Start of MODEL    6
    1    H    ASP   1           HT1      ASP   1 -24.252   0.091   1.898
    2    HA   ASP   1           HA       ASP   1 -22.068   1.104   3.615
    3    HB2  ASP   1           HB2      ASP   1 -24.943   0.427   4.149
    4    HB3  ASP   1           HB1      ASP   1 -23.739   0.271   5.424
    5    H    ASN   2           HN       ASN   2 -21.425  -0.473   5.241
    6    HA   ASN   2           HA       ASN   2 -20.645  -2.460   5.947
    7    HB2  ASN   2           HB2      ASN   2 -22.789  -3.613   4.153
    8    HB3  ASN   2           HB1      ASN   2 -21.760  -4.584   5.202
    9   HD21  ASN   2          HD21      ASN   2 -24.351  -2.285   5.057
   10   HD22  ASN   2          HD22      ASN   2 -24.878  -2.470   6.693
   11    H    GLN   3           HN       GLN   3 -20.198  -1.229   3.023
   12    HA   GLN   3           HA       GLN   3 -18.708  -3.246   1.687
   13    HB2  GLN   3           HB2      GLN   3 -18.852  -0.265   1.549
   14    HB3  GLN   3           HB1      GLN   3 -17.505  -1.078   0.773
   15    HG2  GLN   3           HG2      GLN   3 -19.256  -0.649  -0.803
   16    HG3  GLN   3           HG1      GLN   3 -19.059  -2.386  -0.562
   17   HE21  GLN   3          HE21      GLN   3 -20.719  -3.550   0.355
   18   HE22  GLN   3          HE22      GLN   3 -22.284  -2.883   0.673
   19    H    LYS   4           HN       LYS   4 -18.128  -0.967   4.180
   20    HA   LYS   4           HA       LYS   4 -15.372  -0.988   4.449
   21    HB2  LYS   4           HB2      LYS   4 -17.246   0.324   5.707
   22    HB3  LYS   4           HB1      LYS   4 -17.196  -1.026   6.828
   23    HG2  LYS   4           HG2      LYS   4 -14.878  -0.615   7.322
   24    HG3  LYS   4           HG1      LYS   4 -14.811   0.658   6.104
   25    HD2  LYS   4           HD2      LYS   4 -15.010   1.638   8.305
   26    HD3  LYS   4           HD1      LYS   4 -16.482   1.937   7.382
   27    HE2  LYS   4           HE2      LYS   4 -17.583   0.088   8.542
   28    HE3  LYS   4           HE1      LYS   4 -16.107  -0.221   9.456
   29    HZ1  LYS   4           HZ1      LYS   4 -17.753   1.091  10.692
   30    HZ2  LYS   4           HZ2      LYS   4 -17.636   2.321   9.538
   31    HZ3  LYS   4           HZ3      LYS   4 -16.296   1.923  10.485
   32    H    ALA   5           HN       ALA   5 -17.631  -3.509   5.050
   33    HA   ALA   5           HA       ALA   5 -15.816  -4.970   6.779
   34    HB1  ALA   5           HB1      ALA   5 -18.206  -4.936   7.316
   35    HB2  ALA   5           HB2      ALA   5 -17.606  -6.571   7.038
   36    HB3  ALA   5           HB3      ALA   5 -18.542  -5.753   5.789
   37    H    LEU   6           HN       LEU   6 -17.687  -5.916   3.930
   38    HA   LEU   6           HA       LEU   6 -15.735  -8.017   3.435
   39    HB2  LEU   6           HB2      LEU   6 -18.421  -7.536   2.159
   40    HB3  LEU   6           HB1      LEU   6 -17.400  -8.936   1.889
   41    HG   LEU   6           HG       LEU   6 -18.617  -8.190   4.552
   42   HD11  LEU   6          HD11      LEU   6 -20.125 -10.073   4.166
   43   HD12  LEU   6          HD12      LEU   6 -19.436 -10.303   2.560
   44   HD13  LEU   6          HD13      LEU   6 -20.330  -8.830   2.933
   45   HD21  LEU   6          HD21      LEU   6 -17.939 -10.471   5.188
   46   HD22  LEU   6          HD22      LEU   6 -16.558  -9.450   4.790
   47   HD23  LEU   6          HD23      LEU   6 -17.129 -10.650   3.631
   48    H    GLU   7           HN       GLU   7 -17.608  -6.057   1.125
   49    HA   GLU   7           HA       GLU   7 -16.304  -6.843  -1.111
   50    HB2  GLU   7           HB2      GLU   7 -17.658  -4.239  -0.509
   51    HB3  GLU   7           HB1      GLU   7 -17.046  -4.621  -2.110
   52    HG2  GLU   7           HG2      GLU   7 -18.477  -6.606  -2.170
   53    HG3  GLU   7           HG1      GLU   7 -19.110  -6.185  -0.581
   54    H    GLU   8           HN       GLU   8 -15.573  -3.674   0.384
   55    HA   GLU   8           HA       GLU   8 -13.567  -3.022  -1.449
   56    HB2  GLU   8           HB2      GLU   8 -13.528  -2.015   1.378
   57    HB3  GLU   8           HB1      GLU   8 -13.083  -1.168  -0.096
   58    HG2  GLU   8           HG2      GLU   8 -15.859  -1.940   0.757
   59    HG3  GLU   8           HG1      GLU   8 -15.166  -0.322   0.789
   60    H    GLN   9           HN       GLN   9 -13.420  -5.232   1.132
   61    HA   GLN   9           HA       GLN   9 -10.524  -4.926   1.451
   62    HB2  GLN   9           HB2      GLN   9 -12.613  -6.252   3.170
   63    HB3  GLN   9           HB1      GLN   9 -10.893  -6.495   3.430
   64    HG2  GLN   9           HG2      GLN   9 -11.616  -4.813   4.938
   65    HG3  GLN   9           HG1      GLN   9 -10.650  -4.029   3.693
   66   HE21  GLN   9          HE21      GLN   9 -13.960  -5.084   3.258
   67   HE22  GLN   9          HE22      GLN   9 -14.648  -3.502   3.116
   68    H    MET  10           HN       MET  10 -12.098  -6.368  -0.743
   69    HA   MET  10           HA       MET  10 -11.525  -9.129  -0.520
   70    HB2  MET  10           HB2      MET  10 -12.125  -7.332  -2.851
   71    HB3  MET  10           HB1      MET  10 -11.716  -9.025  -3.090
   72    HG2  MET  10           HG2      MET  10 -14.001  -7.994  -1.427
   73    HG3  MET  10           HG1      MET  10 -14.127  -8.652  -3.057
   74    HE1  MET  10           HE1      MET  10 -13.701 -11.158  -3.688
   75    HE2  MET  10           HE2      MET  10 -13.192 -12.399  -2.544
   76    HE3  MET  10           HE3      MET  10 -12.083 -11.103  -2.989
   77    H    ASN  11           HN       ASN  11 -10.206 -10.034  -2.565
   78    HA   ASN  11           HA       ASN  11  -7.693 -10.294  -1.519
   79    HB2  ASN  11           HB2      ASN  11  -8.612 -10.824  -4.341
   80    HB3  ASN  11           HB1      ASN  11  -7.091 -11.398  -3.670
   81   HD21  ASN  11          HD21      ASN  11  -7.698 -13.532  -4.018
   82   HD22  ASN  11          HD22      ASN  11  -8.852 -14.330  -3.010
   83    H    SER  12           HN       SER  12  -8.693  -7.719  -3.538
   84    HA   SER  12           HA       SER  12  -6.590  -7.180  -5.181
   85    HB2  SER  12           HB2      SER  12  -8.757  -5.908  -5.008
   86    HB3  SER  12           HB1      SER  12  -8.068  -5.049  -3.628
   87    HG   SER  12           HG       SER  12  -7.840  -4.366  -6.106
   88    H    ILE  13           HN       ILE  13  -6.831  -6.027  -1.778
   89    HA   ILE  13           HA       ILE  13  -4.097  -5.050  -1.989
   90    HB   ILE  13           HB       ILE  13  -4.331  -3.950   0.078
   91   HG12  ILE  13          HG12      ILE  13  -5.360  -5.793   1.366
   92   HG13  ILE  13          HG11      ILE  13  -6.163  -4.254   1.649
   93   HG21  ILE  13          HG21      ILE  13  -5.519  -2.861  -1.719
   94   HG22  ILE  13          HG22      ILE  13  -6.354  -2.600  -0.186
   95   HG23  ILE  13          HG23      ILE  13  -6.979  -3.778  -1.343
   96   HD11  ILE  13          HD11      ILE  13  -7.138  -6.470  -0.127
   97   HD12  ILE  13          HD12      ILE  13  -7.948  -4.922   0.122
   98   HD13  ILE  13          HD13      ILE  13  -7.766  -6.050   1.468
   99    H    ASN  14           HN       ASN  14  -5.682  -7.876  -0.913
  100    HA   ASN  14           HA       ASN  14  -3.854  -8.550   1.189
  101    HB2  ASN  14           HB2      ASN  14  -5.743 -10.296  -0.356
  102    HB3  ASN  14           HB1      ASN  14  -4.865 -10.790   1.082
  103   HD21  ASN  14          HD21      ASN  14  -5.419  -9.868   3.080
  104   HD22  ASN  14          HD22      ASN  14  -6.956  -9.117   3.333
  105    H    SER  15           HN       SER  15  -4.310  -9.809  -2.127
  106    HA   SER  15           HA       SER  15  -2.022 -11.427  -2.175
  107    HB2  SER  15           HB2      SER  15  -3.305  -9.896  -4.457
  108    HB3  SER  15           HB1      SER  15  -2.180 -11.245  -4.633
  109    HG   SER  15           HG       SER  15  -3.695 -12.577  -3.601
  110    H    VAL  16           HN       VAL  16  -2.463  -8.016  -2.570
  111    HA   VAL  16           HA       VAL  16   0.194  -7.374  -3.305
  112    HB   VAL  16           HB       VAL  16  -2.036  -5.783  -2.031
  113   HG11  VAL  16          HG11      VAL  16   0.174  -4.937  -1.280
  114   HG12  VAL  16          HG12      VAL  16  -0.708  -3.798  -2.293
  115   HG13  VAL  16          HG13      VAL  16   0.631  -4.726  -2.971
  116   HG21  VAL  16          HG21      VAL  16  -0.757  -5.698  -4.766
  117   HG22  VAL  16          HG22      VAL  16  -2.079  -4.673  -4.209
  118   HG23  VAL  16          HG23      VAL  16  -2.323  -6.411  -4.374
  119    H    ASN  17           HN       ASN  17  -1.493  -7.775  -0.208
  120    HA   ASN  17           HA       ASN  17   0.512  -6.648   1.440
  121    HB2  ASN  17           HB2      ASN  17  -1.883  -8.310   1.838
  122    HB3  ASN  17           HB1      ASN  17  -0.627  -8.564   3.042
  123   HD21  ASN  17          HD21      ASN  17  -2.894  -6.303   1.693
  124   HD22  ASN  17          HD22      ASN  17  -2.806  -5.147   2.988
  125    H    ASP  18           HN       ASP  18  -0.022  -9.929   0.266
  126    HA   ASP  18           HA       ASP  18   2.037 -11.169   1.754
  127    HB2  ASP  18           HB2      ASP  18   0.688 -11.956  -0.830
  128    HB3  ASP  18           HB1      ASP  18   1.869 -12.974  -0.009
  129    H    LYS  19           HN       LYS  19   2.028  -9.393  -1.234
  130    HA   LYS  19           HA       LYS  19   4.617 -10.374  -2.073
  131    HB2  LYS  19           HB2      LYS  19   2.726  -8.295  -3.159
  132    HB3  LYS  19           HB1      LYS  19   4.319  -8.569  -3.857
  133    HG2  LYS  19           HG2      LYS  19   3.687 -10.906  -4.298
  134    HG3  LYS  19           HG1      LYS  19   2.078 -10.572  -3.646
  135    HD2  LYS  19           HD2      LYS  19   1.777  -8.835  -5.374
  136    HD3  LYS  19           HD1      LYS  19   3.351  -9.260  -6.048
  137    HE2  LYS  19           HE2      LYS  19   2.530 -11.550  -6.440
  138    HE3  LYS  19           HE1      LYS  19   0.950 -11.069  -5.831
  139    HZ1  LYS  19           HZ1      LYS  19   2.305  -9.922  -8.209
  140    HZ2  LYS  19           HZ2      LYS  19   0.784  -9.463  -7.628
  141    HZ3  LYS  19           HZ3      LYS  19   1.020 -11.020  -8.240
  142    H    LEU  20           HN       LEU  20   3.255  -7.511  -0.601
  143    HA   LEU  20           HA       LEU  20   5.699  -6.035  -0.551
  144    HB2  LEU  20           HB2      LEU  20   3.106  -5.792   0.959
  145    HB3  LEU  20           HB1      LEU  20   4.437  -4.662   1.158
  146    HG   LEU  20           HG       LEU  20   2.937  -5.187  -1.412
  147   HD11  LEU  20          HD11      LEU  20   1.656  -3.932   0.274
  148   HD12  LEU  20          HD12      LEU  20   2.053  -2.962  -1.143
  149   HD13  LEU  20          HD13      LEU  20   2.957  -2.747   0.350
  150   HD21  LEU  20          HD21      LEU  20   5.288  -3.432  -0.752
  151   HD22  LEU  20          HD22      LEU  20   4.264  -3.160  -2.159
  152   HD23  LEU  20          HD23      LEU  20   5.161  -4.669  -2.001
  153    H    ASN  21           HN       ASN  21   4.008  -8.150   1.712
  154    HA   ASN  21           HA       ASN  21   6.136  -8.001   3.640
  155    HB2  ASN  21           HB2      ASN  21   3.658  -9.684   3.375
  156    HB3  ASN  21           HB1      ASN  21   4.894 -10.086   4.567
  157   HD21  ASN  21          HD21      ASN  21   2.439  -7.795   3.634
  158   HD22  ASN  21          HD22      ASN  21   2.403  -6.933   5.138
  159    H    LYS  22           HN       LYS  22   7.722  -8.359   1.960
  160    HA   LYS  22           HA       LYS  22   7.875 -10.970   0.701
  161    HB2  LYS  22           HB2      LYS  22   9.955  -9.840  -0.348
  162    HB3  LYS  22           HB1      LYS  22   8.361  -9.228  -0.788
  163    HG2  LYS  22           HG2      LYS  22   8.596  -7.381   0.741
  164    HG3  LYS  22           HG1      LYS  22  10.127  -8.021   1.334
  165    HD2  LYS  22           HD2      LYS  22  11.161  -7.649  -0.825
  166    HD3  LYS  22           HD1      LYS  22   9.615  -7.137  -1.507
  167    HE2  LYS  22           HE2      LYS  22  10.954  -5.739   0.808
  168    HE3  LYS  22           HE1      LYS  22  11.203  -5.279  -0.875
  169    HZ1  LYS  22           HZ1      LYS  22   8.590  -5.312   0.526
  170    HZ2  LYS  22           HZ2      LYS  22   8.846  -4.819  -1.081
  171    HZ3  LYS  22           HZ3      LYS  22   9.513  -3.934   0.201
  172    H    GLY  23           HN       GLY  23   8.879  -9.725   3.596
  173    HA2  GLY  23           HA2      GLY  23  10.298 -11.117   5.040
  174    HA3  GLY  23           HA1      GLY  23  11.336 -11.371   3.634
  175    H    LYS  24           HN       LYS  24  11.765  -9.057   2.561
  176    HA   LYS  24           HA       LYS  24  13.083  -7.371   4.484
  177    HB2  LYS  24           HB2      LYS  24  12.586  -7.133   1.510
  178    HB3  LYS  24           HB1      LYS  24  13.476  -5.917   2.425
  179    HG2  LYS  24           HG2      LYS  24  14.350  -8.748   2.658
  180    HG3  LYS  24           HG1      LYS  24  14.679  -7.906   1.145
  181    HD2  LYS  24           HD2      LYS  24  15.903  -6.193   2.301
  182    HD3  LYS  24           HD1      LYS  24  15.464  -6.860   3.864
  183    HE2  LYS  24           HE2      LYS  24  17.170  -8.190   1.769
  184    HE3  LYS  24           HE1      LYS  24  17.740  -7.473   3.275
  185    HZ1  LYS  24           HZ1      LYS  24  15.964  -9.838   3.011
  186    HZ2  LYS  24           HZ2      LYS  24  16.398  -9.120   4.477
  187    HZ3  LYS  24           HZ3      LYS  24  17.580  -9.841   3.510
  188    H    GLY  25           HN       GLY  25  12.414  -4.836   3.297
  189    HA2  GLY  25           HA2      GLY  25  10.574  -3.839   4.995
  190    HA3  GLY  25           HA1      GLY  25  10.854  -3.162   3.415
  191    H    LYS  26           HN       LYS  26   8.446  -3.477   5.155
  192    HA   LYS  26           HA       LYS  26   6.719  -4.850   3.231
  193    HB2  LYS  26           HB2      LYS  26   5.656  -6.007   5.251
  194    HB3  LYS  26           HB1      LYS  26   7.220  -6.608   4.701
  195    HG2  LYS  26           HG2      LYS  26   8.141  -4.905   6.465
  196    HG3  LYS  26           HG1      LYS  26   6.526  -5.097   7.174
  197    HD2  LYS  26           HD2      LYS  26   7.479  -6.873   8.217
  198    HD3  LYS  26           HD1      LYS  26   7.194  -7.684   6.677
  199    HE2  LYS  26           HE2      LYS  26   9.480  -6.874   5.960
  200    HE3  LYS  26           HE1      LYS  26   9.733  -6.383   7.634
  201    HZ1  LYS  26           HZ1      LYS  26   9.536  -8.622   8.364
  202    HZ2  LYS  26           HZ2      LYS  26  10.633  -8.614   7.071
  203    HZ3  LYS  26           HZ3      LYS  26   9.048  -9.152   6.836
  204    H    LEU  27           HN       LEU  27   4.665  -4.097   3.120
  205    HA   LEU  27           HA       LEU  27   3.891  -1.963   5.009
  206    HB2  LEU  27           HB2      LEU  27   2.845  -2.314   2.176
  207    HB3  LEU  27           HB1      LEU  27   2.516  -0.984   3.269
  208    HG   LEU  27           HG       LEU  27   5.054  -0.506   3.100
  209   HD11  LEU  27          HD11      LEU  27   4.681  -2.074   0.557
  210   HD12  LEU  27          HD12      LEU  27   5.609  -2.626   1.950
  211   HD13  LEU  27          HD13      LEU  27   6.122  -1.194   1.058
  212   HD21  LEU  27          HD21      LEU  27   3.226  -0.053   0.747
  213   HD22  LEU  27          HD22      LEU  27   4.684   0.867   1.122
  214   HD23  LEU  27          HD23      LEU  27   3.296   0.932   2.208
  215    H    SER  28           HN       SER  28   2.409  -2.826   6.401
  216    HA   SER  28           HA       SER  28   0.591  -4.897   5.473
  217    HB2  SER  28           HB2      SER  28   1.591  -4.800   7.826
  218    HB3  SER  28           HB1      SER  28   0.491  -3.457   8.135
  219    HG   SER  28           HG       SER  28  -0.113  -6.161   7.587
  220    H    LEU  29           HN       LEU  29  -0.866  -4.097   4.071
  221    HA   LEU  29           HA       LEU  29  -1.845  -1.379   4.322
  222    HB2  LEU  29           HB2      LEU  29  -2.620  -3.455   2.287
  223    HB3  LEU  29           HB1      LEU  29  -2.831  -1.716   2.166
  224    HG   LEU  29           HG       LEU  29  -0.164  -3.130   2.201
  225   HD11  LEU  29          HD11      LEU  29  -1.798  -2.002  -0.054
  226   HD12  LEU  29          HD12      LEU  29  -1.314  -3.679   0.182
  227   HD13  LEU  29          HD13      LEU  29  -0.101  -2.454  -0.190
  228   HD21  LEU  29          HD21      LEU  29   0.715  -0.952   1.499
  229   HD22  LEU  29          HD22      LEU  29  -0.037  -0.871   3.091
  230   HD23  LEU  29          HD23      LEU  29  -0.892  -0.249   1.680
  231    H    SER  30           HN       SER  30  -3.615  -0.796   5.326
  232    HA   SER  30           HA       SER  30  -5.873  -2.586   5.202
  233    HB2  SER  30           HB2      SER  30  -4.704  -3.192   7.298
  234    HB3  SER  30           HB1      SER  30  -4.841  -1.516   7.839
  235    HG   SER  30           HG       SER  30  -7.117  -3.033   7.117
  236    H    MET  31           HN       MET  31  -7.806  -1.569   5.157
  237    HA   MET  31           HA       MET  31  -7.771   1.374   5.278
  238    HB2  MET  31           HB2      MET  31  -9.788  -0.447   3.942
  239    HB3  MET  31           HB1      MET  31  -9.761   1.307   3.863
  240    HG2  MET  31           HG2      MET  31  -7.633   1.215   2.668
  241    HG3  MET  31           HG1      MET  31  -7.675  -0.545   2.736
  242    HE1  MET  31           HE1      MET  31 -10.875  -1.012   2.271
  243    HE2  MET  31           HE2      MET  31  -9.576  -1.999   1.601
  244    HE3  MET  31           HE3      MET  31 -10.825  -1.346   0.540
  245    H    ASN  32           HN       ASN  32  -9.332   2.436   6.515
  246    HA   ASN  32           HA       ASN  32 -11.311   0.826   7.914
  247    HB2  ASN  32           HB2      ASN  32  -9.268   0.806   9.352
  248    HB3  ASN  32           HB1      ASN  32  -9.360   2.565   9.441
  249   HD21  ASN  32          HD21      ASN  32  -9.626   2.573  11.645
  250   HD22  ASN  32          HD22      ASN  32 -11.096   2.061  12.414
  251    H    GLY  33           HN       GLY  33 -12.804   1.980   6.695
  252    HA2  GLY  33           HA2      GLY  33 -14.448   3.569   6.524
  253    HA3  GLY  33           HA1      GLY  33 -13.815   4.299   7.994
  254    H    ASN  34           HN       ASN  34 -12.341   6.011   7.835
  255    HA   ASN  34           HA       ASN  34 -12.126   7.177   5.141
  256    HB2  ASN  34           HB2      ASN  34 -11.990   9.375   6.267
  257    HB3  ASN  34           HB1      ASN  34 -13.498   8.545   6.632
  258   HD21  ASN  34          HD21      ASN  34 -10.216   9.048   7.887
  259   HD22  ASN  34          HD22      ASN  34 -10.691   9.066   9.567
  260    H    GLN  35           HN       GLN  35 -10.262   5.291   6.362
  261    HA   GLN  35           HA       GLN  35  -7.899   6.980   6.480
  262    HB2  GLN  35           HB2      GLN  35  -8.607   6.688   8.805
  263    HB3  GLN  35           HB1      GLN  35  -8.593   4.937   8.594
  264    HG2  GLN  35           HG2      GLN  35  -6.180   5.066   8.071
  265    HG3  GLN  35           HG1      GLN  35  -6.234   6.792   8.428
  266   HE21  GLN  35          HE21      GLN  35  -8.167   6.395  10.621
  267   HE22  GLN  35          HE22      GLN  35  -7.238   5.757  11.940
  268    H    LEU  36           HN       LEU  36  -6.110   6.111   5.720
  269    HA   LEU  36           HA       LEU  36  -6.048   3.237   5.121
  270    HB2  LEU  36           HB2      LEU  36  -5.998   4.870   3.153
  271    HB3  LEU  36           HB1      LEU  36  -4.445   5.409   3.753
  272    HG   LEU  36           HG       LEU  36  -4.220   3.854   1.873
  273   HD11  LEU  36          HD11      LEU  36  -2.441   3.932   3.555
  274   HD12  LEU  36          HD12      LEU  36  -2.596   2.333   2.831
  275   HD13  LEU  36          HD13      LEU  36  -3.235   2.635   4.447
  276   HD21  LEU  36          HD21      LEU  36  -5.531   1.841   3.688
  277   HD22  LEU  36          HD22      LEU  36  -4.809   1.505   2.114
  278   HD23  LEU  36          HD23      LEU  36  -6.230   2.543   2.229
  279    H    LYS  37           HN       LYS  37  -4.707   2.217   6.478
  280    HA   LYS  37           HA       LYS  37  -2.419   3.741   7.584
  281    HB2  LYS  37           HB2      LYS  37  -2.729   2.593   9.725
  282    HB3  LYS  37           HB1      LYS  37  -4.159   3.532   9.309
  283    HG2  LYS  37           HG2      LYS  37  -5.300   1.492   8.603
  284    HG3  LYS  37           HG1      LYS  37  -3.862   0.549   9.004
  285    HD2  LYS  37           HD2      LYS  37  -4.046   1.280  11.339
  286    HD3  LYS  37           HD1      LYS  37  -5.497   2.196  10.931
  287    HE2  LYS  37           HE2      LYS  37  -6.201   0.143  11.905
  288    HE3  LYS  37           HE1      LYS  37  -6.534   0.045  10.178
  289    HZ1  LYS  37           HZ1      LYS  37  -4.198  -1.161  11.560
  290    HZ2  LYS  37           HZ2      LYS  37  -4.517  -1.260   9.904
  291    HZ3  LYS  37           HZ3      LYS  37  -5.562  -1.998  11.011
  292    H    ALA  38           HN       ALA  38  -0.569   2.477   7.973
  293    HA   ALA  38           HA       ALA  38  -0.574  -0.313   7.154
  294    HB1  ALA  38           HB1      ALA  38   1.020   1.775   5.665
  295    HB2  ALA  38           HB2      ALA  38  -0.323   0.827   5.022
  296    HB3  ALA  38           HB3      ALA  38   1.188   0.031   5.467
  297    H    THR  39           HN       THR  39   0.909  -1.442   8.264
  298    HA   THR  39           HA       THR  39   2.839   0.074   9.848
  299    HB   THR  39           HB       THR  39   3.176  -1.915  11.170
  300    HG1  THR  39           HG1      THR  39   2.837  -3.305   9.220
  301   HG21  THR  39          HG21      THR  39   0.926  -2.276  12.071
  302   HG22  THR  39          HG22      THR  39   0.227  -1.530  10.634
  303   HG23  THR  39          HG23      THR  39   1.209  -0.567  11.738
  304    H    SER  40           HN       SER  40   4.877   0.138   9.280
  305    HA   SER  40           HA       SER  40   5.834  -1.665   7.161
  306    HB2  SER  40           HB2      SER  40   5.855   0.629   6.431
  307    HB3  SER  40           HB1      SER  40   6.673   1.130   7.908
  308    HG   SER  40           HG       SER  40   7.800  -0.749   6.131
  309    H    SER  41           HN       SER  41   7.200  -3.149   7.802
  310    HA   SER  41           HA       SER  41   8.724  -2.643  10.251
  311    HB2  SER  41           HB2      SER  41   7.074  -4.563  10.249
  312    HB3  SER  41           HB1      SER  41   8.097  -5.342   9.045
  313    HG   SER  41           HG       SER  41   8.645  -4.760  11.750
  314    H    ASN  42           HN       ASN  42  10.710  -4.294  10.200
  315    HA   ASN  42           HA       ASN  42  12.783  -4.728   9.415
  316    HB2  ASN  42           HB2      ASN  42  11.356  -4.926   7.071
  317    HB3  ASN  42           HB1      ASN  42  12.560  -3.699   6.690
  318   HD21  ASN  42          HD21      ASN  42  14.610  -4.673   8.389
  319   HD22  ASN  42          HD22      ASN  42  15.189  -6.160   7.706
  320    H    ALA  43           HN       ALA  43  11.732  -2.195  10.418
  321    HA   ALA  43           HA       ALA  43  12.563  -0.194  11.062
  322    HB1  ALA  43           HB1      ALA  43  15.179  -1.380  10.170
  323    HB2  ALA  43           HB2      ALA  43  14.416  -1.620  11.742
  324    HB3  ALA  43           HB3      ALA  43  14.969  -0.015  11.267
  325    H    GLY  44           HN       GLY  44  11.643  -0.406   8.298
  326    HA2  GLY  44           HA2      GLY  44  11.280   1.459   6.908
  327    HA3  GLY  44           HA1      GLY  44  12.796   2.147   7.475
  328    H    TYR  45           HN       TYR  45  13.878  -0.759   6.900
  329    HA   TYR  45           HA       TYR  45  15.168  -0.174   4.502
  330    HB2  TYR  45           HB2      TYR  45  14.661  -2.737   5.977
  331    HB3  TYR  45           HB1      TYR  45  15.423  -2.771   4.389
  332    HD1  TYR  45           HD1      TYR  45  15.838  -1.772   7.907
  333    HD2  TYR  45           HD2      TYR  45  17.665  -1.911   4.063
  334    HE1  TYR  45           HE1      TYR  45  18.021  -1.303   8.929
  335    HE2  TYR  45           HE2      TYR  45  19.848  -1.443   5.080
  336    HH   TYR  45           HH       TYR  45  20.408  -1.636   8.416
  337    H    GLY  46           HN       GLY  46  14.665  -0.357   2.427
  338    HA2  GLY  46           HA2      GLY  46  11.913  -0.639   1.728
  339    HA3  GLY  46           HA1      GLY  46  13.246  -0.319   0.637
  340    H    ILE  47           HN       ILE  47  14.216  -1.954  -0.454
  341    HA   ILE  47           HA       ILE  47  12.906  -4.592  -0.251
  342    HB   ILE  47           HB       ILE  47  14.540  -3.550  -2.538
  343   HG12  ILE  47          HG12      ILE  47  11.531  -3.661  -2.428
  344   HG13  ILE  47          HG11      ILE  47  12.460  -2.193  -2.109
  345   HG21  ILE  47          HG21      ILE  47  13.490  -5.370  -3.797
  346   HG22  ILE  47          HG22      ILE  47  12.613  -5.861  -2.349
  347   HG23  ILE  47          HG23      ILE  47  14.371  -5.975  -2.394
  348   HD11  ILE  47          HD11      ILE  47  11.756  -2.099  -4.352
  349   HD12  ILE  47          HD12      ILE  47  12.292  -3.750  -4.666
  350   HD13  ILE  47          HD13      ILE  47  13.477  -2.475  -4.376
  351    H    SER  48           HN       SER  48  15.943  -3.237  -1.413
  352    HA   SER  48           HA       SER  48  17.656  -4.532   0.286
  353    HB2  SER  48           HB2      SER  48  16.649  -6.609  -0.672
  354    HB3  SER  48           HB1      SER  48  17.244  -6.118  -2.261
  355    HG   SER  48           HG       SER  48  19.156  -6.807  -1.743
  356    H    TYR  49           HN       TYR  49  17.231  -4.045  -3.216
  357    HA   TYR  49           HA       TYR  49  19.094  -1.891  -3.317
  358    HB2  TYR  49           HB2      TYR  49  20.588  -3.926  -3.165
  359    HB3  TYR  49           HB1      TYR  49  19.956  -4.427  -4.723
  360    HD1  TYR  49           HD1      TYR  49  20.378  -2.902  -6.759
  361    HD2  TYR  49           HD2      TYR  49  22.337  -2.313  -3.005
  362    HE1  TYR  49           HE1      TYR  49  22.087  -1.538  -7.854
  363    HE2  TYR  49           HE2      TYR  49  24.039  -0.945  -4.117
  364    HH   TYR  49           HH       TYR  49  23.691   0.217  -7.286
  365    H    GLU  50           HN       GLU  50  17.277  -4.370  -5.065
  366    HA   GLU  50           HA       GLU  50  17.152  -2.973  -7.541
  367    HB2  GLU  50           HB2      GLU  50  15.354  -4.581  -8.100
  368    HB3  GLU  50           HB1      GLU  50  16.780  -5.380  -7.442
  369    HG2  GLU  50           HG2      GLU  50  15.686  -5.558  -5.270
  370    HG3  GLU  50           HG1      GLU  50  14.260  -4.744  -5.918
  371    H    ASP  51           HN       ASP  51  14.913  -2.401  -8.501
  372    HA   ASP  51           HA       ASP  51  13.442  -0.790  -6.518
  373    HB2  ASP  51           HB2      ASP  51  13.270   1.041  -8.061
  374    HB3  ASP  51           HB1      ASP  51  14.969   0.603  -7.927
  375    H    LYS  52           HN       LYS  52  11.259  -0.334  -6.981
  376    HA   LYS  52           HA       LYS  52  10.054  -2.045  -9.048
  377    HB2  LYS  52           HB2      LYS  52   8.656  -1.578  -6.441
  378    HB3  LYS  52           HB1      LYS  52   8.422  -2.871  -7.607
  379    HG2  LYS  52           HG2      LYS  52  10.901  -2.566  -5.990
  380    HG3  LYS  52           HG1      LYS  52   9.526  -3.525  -5.450
  381    HD2  LYS  52           HD2      LYS  52  11.015  -3.950  -8.033
  382    HD3  LYS  52           HD1      LYS  52  11.354  -4.828  -6.542
  383    HE2  LYS  52           HE2      LYS  52   8.728  -4.825  -8.029
  384    HE3  LYS  52           HE1      LYS  52   9.899  -6.141  -7.997
  385    HZ1  LYS  52           HZ1      LYS  52   8.121  -6.563  -6.438
  386    HZ2  LYS  52           HZ2      LYS  52   8.395  -5.086  -5.651
  387    HZ3  LYS  52           HZ3      LYS  52   9.564  -6.309  -5.596
  388    H    ASN  53           HN       ASN  53   8.342  -1.255 -10.040
  389    HA   ASN  53           HA       ASN  53   7.793   1.590  -9.757
  390    HB2  ASN  53           HB2      ASN  53   8.274   0.994 -11.978
  391    HB3  ASN  53           HB1      ASN  53   7.307  -0.470 -11.897
  392   HD21  ASN  53          HD21      ASN  53   5.280  -0.415 -12.481
  393   HD22  ASN  53          HD22      ASN  53   4.430   0.997 -13.032
  394    H    TRP  54           HN       TRP  54   6.284   2.078  -8.337
  395    HA   TRP  54           HA       TRP  54   4.161   0.126  -7.800
  396    HB2  TRP  54           HB2      TRP  54   6.141   1.359  -6.195
  397    HB3  TRP  54           HB1      TRP  54   4.558   1.956  -5.675
  398    HD1  TRP  54           HD1      TRP  54   6.658  -1.210  -5.710
  399    HE1  TRP  54           HE1      TRP  54   5.370  -3.009  -4.345
  400    HE3  TRP  54           HE3      TRP  54   2.372   1.283  -5.186
  401    HZ2  TRP  54           HZ2      TRP  54   2.712  -3.243  -3.200
  402    HZ3  TRP  54           HZ3      TRP  54   0.504   0.315  -3.987
  403    HH2  TRP  54           HH2      TRP  54   0.675  -1.900  -2.984
  404    H    GLY  55           HN       GLY  55   2.052   1.065  -6.834
  405    HA2  GLY  55           HA2      GLY  55   1.653   3.899  -7.236
  406    HA3  GLY  55           HA1      GLY  55   0.856   2.878  -8.404
  407    H    ILE  56           HN       ILE  56  -0.323   4.712  -6.483
  408    HA   ILE  56           HA       ILE  56  -2.150   2.728  -5.285
  409    HB   ILE  56           HB       ILE  56  -1.595   5.562  -4.396
  410   HG12  ILE  56          HG12      ILE  56  -1.233   4.398  -2.199
  411   HG13  ILE  56          HG11      ILE  56  -1.307   2.863  -3.072
  412   HG21  ILE  56          HG21      ILE  56  -4.006   5.144  -4.358
  413   HG22  ILE  56          HG22      ILE  56  -3.350   5.259  -2.725
  414   HG23  ILE  56          HG23      ILE  56  -3.740   3.682  -3.409
  415   HD11  ILE  56          HD11      ILE  56   0.668   3.460  -4.321
  416   HD12  ILE  56          HD12      ILE  56   0.989   3.615  -2.594
  417   HD13  ILE  56          HD13      ILE  56   0.701   5.053  -3.570
  418    H    PHE  57           HN       PHE  57  -4.140   2.626  -6.052
  419    HA   PHE  57           HA       PHE  57  -5.203   4.906  -7.601
  420    HB2  PHE  57           HB2      PHE  57  -5.688   1.957  -8.096
  421    HB3  PHE  57           HB1      PHE  57  -6.452   3.271  -8.967
  422    HD1  PHE  57           HD1      PHE  57  -5.479   4.133 -10.886
  423    HD2  PHE  57           HD2      PHE  57  -3.153   1.734  -8.253
  424    HE1  PHE  57           HE1      PHE  57  -3.673   4.060 -12.552
  425    HE2  PHE  57           HE2      PHE  57  -1.340   1.664  -9.911
  426    HZ   PHE  57           HZ       PHE  57  -1.600   2.825 -12.067
  427    H    VAL  58           HN       VAL  58  -6.630   5.810  -6.130
  428    HA   VAL  58           HA       VAL  58  -8.487   3.988  -4.784
  429    HB   VAL  58           HB       VAL  58  -7.589   5.768  -3.378
  430   HG11  VAL  58          HG11      VAL  58  -8.926   7.701  -5.263
  431   HG12  VAL  58          HG12      VAL  58  -7.188   7.458  -5.093
  432   HG13  VAL  58          HG13      VAL  58  -8.121   8.110  -3.747
  433   HG21  VAL  58          HG21      VAL  58  -9.688   6.646  -2.496
  434   HG22  VAL  58          HG22      VAL  58  -9.833   4.940  -2.918
  435   HG23  VAL  58          HG23      VAL  58 -10.516   6.172  -3.980
  436    H    ASN  59           HN       ASN  59 -10.271   3.410  -5.814
  437    HA   ASN  59           HA       ASN  59 -11.808   3.241  -7.486
  438    HB2  ASN  59           HB2      ASN  59 -11.853   6.249  -7.165
  439    HB3  ASN  59           HB1      ASN  59 -12.981   5.358  -8.178
  440   HD21  ASN  59          HD21      ASN  59 -13.489   7.043  -5.876
  441   HD22  ASN  59          HD22      ASN  59 -14.326   6.054  -4.731
  442    H    GLY  60           HN       GLY  60  -9.023   3.365  -8.200
  443    HA2  GLY  60           HA2      GLY  60  -7.932   3.184 -10.243
  444    HA3  GLY  60           HA1      GLY  60  -9.348   3.875 -11.025
  445    H    GLU  61           HN       GLU  61  -8.384   5.810  -8.442
  446    HA   GLU  61           HA       GLU  61  -7.113   7.669 -10.334
  447    HB2  GLU  61           HB2      GLU  61  -9.224   8.439  -9.320
  448    HB3  GLU  61           HB1      GLU  61  -8.517   8.254  -7.718
  449    HG2  GLU  61           HG2      GLU  61  -8.515  10.578  -8.405
  450    HG3  GLU  61           HG1      GLU  61  -6.864   9.971  -8.243
  451    H    LYS  62           HN       LYS  62  -5.198   8.650  -9.870
  452    HA   LYS  62           HA       LYS  62  -3.507   7.178  -8.035
  453    HB2  LYS  62           HB2      LYS  62  -2.884   9.394  -9.994
  454    HB3  LYS  62           HB1      LYS  62  -1.678   8.528  -9.049
  455    HG2  LYS  62           HG2      LYS  62  -3.535   7.254 -11.048
  456    HG3  LYS  62           HG1      LYS  62  -1.867   7.735 -11.375
  457    HD2  LYS  62           HD2      LYS  62  -2.707   5.758  -9.259
  458    HD3  LYS  62           HD1      LYS  62  -2.122   5.324 -10.863
  459    HE2  LYS  62           HE2      LYS  62  -0.584   6.858  -8.770
  460    HE3  LYS  62           HE1      LYS  62  -0.354   5.162  -9.186
  461    HZ1  LYS  62           HZ1      LYS  62   1.279   6.639 -10.237
  462    HZ2  LYS  62           HZ2      LYS  62   0.033   7.426 -11.070
  463    HZ3  LYS  62           HZ3      LYS  62   0.357   5.796 -11.380
  464    H    VAL  63           HN       VAL  63  -3.320   7.778  -5.972
  465    HA   VAL  63           HA       VAL  63  -3.321  10.655  -5.367
  466    HB   VAL  63           HB       VAL  63  -3.685  10.114  -3.035
  467   HG11  VAL  63          HG11      VAL  63  -5.656  10.348  -4.405
  468   HG12  VAL  63          HG12      VAL  63  -5.920   9.100  -3.187
  469   HG13  VAL  63          HG13      VAL  63  -5.577   8.646  -4.854
  470   HG21  VAL  63          HG21      VAL  63  -3.642   7.230  -3.899
  471   HG22  VAL  63          HG22      VAL  63  -4.076   7.814  -2.292
  472   HG23  VAL  63          HG23      VAL  63  -2.436   8.039  -2.901
  473    H    TYR  64           HN       TYR  64  -1.368   7.813  -5.453
  474    HA   TYR  64           HA       TYR  64   0.985   9.343  -4.869
  475    HB2  TYR  64           HB2      TYR  64   0.051   8.764  -2.606
  476    HB3  TYR  64           HB1      TYR  64   0.280   7.063  -3.007
  477    HD1  TYR  64           HD1      TYR  64   2.187  10.263  -2.814
  478    HD2  TYR  64           HD2      TYR  64   2.258   6.035  -2.404
  479    HE1  TYR  64           HE1      TYR  64   4.495  10.388  -1.980
  480    HE2  TYR  64           HE2      TYR  64   4.561   6.143  -1.562
  481    HH   TYR  64           HH       TYR  64   6.025   8.992  -0.564
  482    H    THR  65           HN       THR  65   2.853   8.341  -5.533
  483    HA   THR  65           HA       THR  65   2.747   5.583  -6.545
  484    HB   THR  65           HB       THR  65   3.878   7.942  -8.092
  485    HG1  THR  65           HG1      THR  65   1.593   7.915  -8.107
  486   HG21  THR  65          HG21      THR  65   4.193   6.384  -9.916
  487   HG22  THR  65          HG22      THR  65   3.542   5.073  -8.934
  488   HG23  THR  65          HG23      THR  65   5.069   5.833  -8.488
  489    H    PHE  66           HN       PHE  66   4.963   4.572  -6.462
  490    HA   PHE  66           HA       PHE  66   7.103   6.211  -5.483
  491    HB2  PHE  66           HB2      PHE  66   7.341   5.309  -3.272
  492    HB3  PHE  66           HB1      PHE  66   5.732   5.990  -3.452
  493    HD1  PHE  66           HD1      PHE  66   3.784   4.626  -3.173
  494    HD2  PHE  66           HD2      PHE  66   7.659   2.861  -3.200
  495    HE1  PHE  66           HE1      PHE  66   2.836   2.540  -2.255
  496    HE2  PHE  66           HE2      PHE  66   6.724   0.775  -2.299
  497    HZ   PHE  66           HZ       PHE  66   4.321   0.613  -1.808
  498    H    ASN  67           HN       ASN  67   8.838   4.711  -4.422
  499    HA   ASN  67           HA       ASN  67   9.255   2.378  -6.178
  500    HB2  ASN  67           HB2      ASN  67  10.711   4.416  -6.616
  501    HB3  ASN  67           HB1      ASN  67  11.386   4.185  -5.007
  502   HD21  ASN  67          HD21      ASN  67  12.775   4.167  -7.478
  503   HD22  ASN  67          HD22      ASN  67  13.505   2.612  -7.649
  504    H    GLU  68           HN       GLU  68   9.642   0.505  -5.121
  505    HA   GLU  68           HA       GLU  68   9.090   0.343  -2.376
  506    HB2  GLU  68           HB2      GLU  68   9.694  -1.513  -4.525
  507    HB3  GLU  68           HB1      GLU  68  10.299  -2.066  -2.980
  508    HG2  GLU  68           HG2      GLU  68   7.999  -1.735  -2.054
  509    HG3  GLU  68           HG1      GLU  68   7.455  -1.387  -3.697
  510    H    LYS  69           HN       LYS  69  12.115   0.899  -3.923
  511    HA   LYS  69           HA       LYS  69  13.621  -0.328  -1.751
  512    HB2  LYS  69           HB2      LYS  69  15.601   0.181  -3.052
  513    HB3  LYS  69           HB1      LYS  69  14.403  -0.625  -4.057
  514    HG2  LYS  69           HG2      LYS  69  13.721   1.550  -4.951
  515    HG3  LYS  69           HG1      LYS  69  14.979   2.320  -3.988
  516    HD2  LYS  69           HD2      LYS  69  15.663   0.105  -5.885
  517    HD3  LYS  69           HD1      LYS  69  15.511   1.767  -6.458
  518    HE2  LYS  69           HE2      LYS  69  17.200   2.467  -4.811
  519    HE3  LYS  69           HE1      LYS  69  17.363   0.791  -4.287
  520    HZ1  LYS  69           HZ1      LYS  69  19.058   1.597  -5.925
  521    HZ2  LYS  69           HZ2      LYS  69  17.831   1.637  -7.086
  522    HZ3  LYS  69           HZ3      LYS  69  18.256   0.171  -6.352
  523    H    SER  70           HN       SER  70  12.051   2.482  -1.871
  524    HA   SER  70           HA       SER  70  14.168   4.199  -1.014
  525    HB2  SER  70           HB2      SER  70  11.192   4.590  -0.615
  526    HB3  SER  70           HB1      SER  70  12.441   5.833  -0.529
  527    HG   SER  70           HG       SER  70  12.880   4.999  -2.824
  528    H    THR  71           HN       THR  71  11.781   4.749   1.246
  529    HA   THR  71           HA       THR  71  12.711   2.650   3.052
  530    HB   THR  71           HB       THR  71  12.327   4.463   4.887
  531    HG1  THR  71           HG1      THR  71  12.471   6.548   4.247
  532   HG21  THR  71          HG21      THR  71  14.756   4.561   3.099
  533   HG22  THR  71          HG22      THR  71  14.499   3.448   4.442
  534   HG23  THR  71          HG23      THR  71  14.677   5.175   4.751
  535    H    VAL  72           HN       VAL  72  11.036   1.463   3.667
  536    HA   VAL  72           HA       VAL  72   8.518   1.962   2.576
  537    HB   VAL  72           HB       VAL  72   8.927   0.031   4.846
  538   HG11  VAL  72          HG11      VAL  72   6.672   0.273   4.047
  539   HG12  VAL  72          HG12      VAL  72   7.317  -1.300   3.568
  540   HG13  VAL  72          HG13      VAL  72   7.195   0.005   2.382
  541   HG21  VAL  72          HG21      VAL  72   9.629  -1.619   3.129
  542   HG22  VAL  72          HG22      VAL  72  10.806  -0.334   3.392
  543   HG23  VAL  72          HG23      VAL  72   9.767  -0.300   1.967
  544    H    GLY  73           HN       GLY  73   9.838   3.010   5.568
  545    HA2  GLY  73           HA2      GLY  73   7.263   3.194   6.914
  546    HA3  GLY  73           HA1      GLY  73   8.817   3.762   7.540
  547    H    ASN  74           HN       ASN  74   9.558   5.337   5.328
  548    HA   ASN  74           HA       ASN  74   7.995   7.682   5.771
  549    HB2  ASN  74           HB2      ASN  74  10.089   7.143   3.648
  550    HB3  ASN  74           HB1      ASN  74   9.436   8.722   4.067
  551   HD21  ASN  74          HD21      ASN  74   9.389   7.857   6.954
  552   HD22  ASN  74          HD22      ASN  74  11.033   8.040   7.476
  553    H    ILE  75           HN       ILE  75   8.200   5.205   3.319
  554    HA   ILE  75           HA       ILE  75   6.490   6.398   1.416
  555    HB   ILE  75           HB       ILE  75   7.096   3.492   1.961
  556   HG12  ILE  75          HG12      ILE  75   8.089   5.343  -0.221
  557   HG13  ILE  75          HG11      ILE  75   9.015   4.876   1.206
  558   HG21  ILE  75          HG21      ILE  75   4.937   3.704   0.862
  559   HG22  ILE  75          HG22      ILE  75   6.139   3.021  -0.232
  560   HG23  ILE  75          HG23      ILE  75   5.663   4.711  -0.391
  561   HD11  ILE  75          HD11      ILE  75   7.979   2.949  -0.856
  562   HD12  ILE  75          HD12      ILE  75   9.052   2.587   0.497
  563   HD13  ILE  75          HD13      ILE  75   9.611   3.608  -0.825
  564    H    SER  76           HN       SER  76   5.790   3.755   3.718
  565    HA   SER  76           HA       SER  76   3.137   3.528   2.882
  566    HB2  SER  76           HB2      SER  76   2.843   2.038   4.837
  567    HB3  SER  76           HB1      SER  76   4.272   1.646   3.877
  568    HG   SER  76           HG       SER  76   5.562   2.439   5.429
  569    H    ASN  77           HN       ASN  77   4.433   4.994   5.809
  570    HA   ASN  77           HA       ASN  77   1.756   5.582   6.643
  571    HB2  ASN  77           HB2      ASN  77   4.378   6.175   7.970
  572    HB3  ASN  77           HB1      ASN  77   2.823   6.727   8.602
  573   HD21  ASN  77          HD21      ASN  77   1.165   5.087   8.965
  574   HD22  ASN  77          HD22      ASN  77   1.638   3.489   9.436
  575    H    ASP  78           HN       ASP  78   4.054   7.394   4.798
  576    HA   ASP  78           HA       ASP  78   2.772   9.907   5.138
  577    HB2  ASP  78           HB2      ASP  78   4.253   8.682   2.833
  578    HB3  ASP  78           HB1      ASP  78   3.391  10.205   2.633
  579    H    ILE  79           HN       ILE  79   2.138   7.092   3.134
  580    HA   ILE  79           HA       ILE  79  -0.200   7.942   1.852
  581    HB   ILE  79           HB       ILE  79   0.445   5.160   2.866
  582   HG12  ILE  79          HG12      ILE  79   0.949   6.364   0.134
  583   HG13  ILE  79          HG11      ILE  79   2.185   6.119   1.370
  584   HG21  ILE  79          HG21      ILE  79  -1.480   6.049   0.721
  585   HG22  ILE  79          HG22      ILE  79  -1.908   5.409   2.310
  586   HG23  ILE  79          HG23      ILE  79  -1.094   4.377   1.132
  587   HD11  ILE  79          HD11      ILE  79   0.595   3.995  -0.051
  588   HD12  ILE  79          HD12      ILE  79   1.695   3.691   1.291
  589   HD13  ILE  79          HD13      ILE  79   2.317   4.341  -0.224
  590    H    ASN  80           HN       ASN  80   0.458   7.117   5.139
  591    HA   ASN  80           HA       ASN  80  -2.295   6.696   5.825
  592    HB2  ASN  80           HB2      ASN  80   0.138   7.058   7.582
  593    HB3  ASN  80           HB1      ASN  80  -1.480   6.799   8.212
  594   HD21  ASN  80          HD21      ASN  80  -0.108   5.212   5.389
  595   HD22  ASN  80          HD22      ASN  80  -0.056   3.636   6.098
  596    H    LYS  81           HN       LYS  81   0.069   9.285   6.133
  597    HA   LYS  81           HA       LYS  81  -1.356  11.086   7.658
  598    HB2  LYS  81           HB2      LYS  81   0.371  11.652   5.239
  599    HB3  LYS  81           HB1      LYS  81  -0.168  12.875   6.384
  600    HG2  LYS  81           HG2      LYS  81   1.319  10.516   7.417
  601    HG3  LYS  81           HG1      LYS  81   2.210  11.770   6.559
  602    HD2  LYS  81           HD2      LYS  81   2.282  12.253   8.907
  603    HD3  LYS  81           HD1      LYS  81   1.252  13.446   8.126
  604    HE2  LYS  81           HE2      LYS  81  -0.728  12.278   8.891
  605    HE3  LYS  81           HE1      LYS  81   0.263  11.005   9.598
  606    HZ1  LYS  81           HZ1      LYS  81  -0.455  12.543  11.282
  607    HZ2  LYS  81           HZ2      LYS  81   0.191  13.851  10.433
  608    HZ3  LYS  81           HZ3      LYS  81   1.220  12.678  11.087
  609    H    LEU  82           HN       LEU  82  -1.636  10.312   4.277
  610    HA   LEU  82           HA       LEU  82  -3.407  12.209   3.357
  611    HB2  LEU  82           HB2      LEU  82  -3.717   9.314   2.629
  612    HB3  LEU  82           HB1      LEU  82  -3.880  10.730   1.603
  613    HG   LEU  82           HG       LEU  82  -1.287   9.545   2.662
  614   HD11  LEU  82          HD11      LEU  82  -2.470   9.753  -0.121
  615   HD12  LEU  82          HD12      LEU  82  -2.265   8.283   0.831
  616   HD13  LEU  82          HD13      LEU  82  -0.851   9.167   0.259
  617   HD21  LEU  82          HD21      LEU  82  -0.174  11.268   1.316
  618   HD22  LEU  82          HD22      LEU  82  -1.167  12.000   2.577
  619   HD23  LEU  82          HD23      LEU  82  -1.735  11.981   0.906
  620    H    ASN  83           HN       ASN  83  -3.982   9.457   5.422
  621    HA   ASN  83           HA       ASN  83  -5.906   8.302   6.013
  622    HB2  ASN  83           HB2      ASN  83  -5.809  10.982   7.132
  623    HB3  ASN  83           HB1      ASN  83  -7.439  10.310   7.119
  624   HD21  ASN  83          HD21      ASN  83  -4.558   8.303   7.327
  625   HD22  ASN  83          HD22      ASN  83  -4.813   7.775   8.960
  626    H    ILE  84           HN       ILE  84  -6.712   7.619   4.076
  627    HA   ILE  84           HA       ILE  84  -8.099   9.440   2.364
  628    HB   ILE  84           HB       ILE  84  -7.778   6.470   2.025
  629   HG12  ILE  84          HG12      ILE  84  -6.024   8.755   1.114
  630   HG13  ILE  84          HG11      ILE  84  -5.620   7.569   2.376
  631   HG21  ILE  84          HG21      ILE  84  -9.475   7.598   0.600
  632   HG22  ILE  84          HG22      ILE  84  -8.132   6.927  -0.324
  633   HG23  ILE  84          HG23      ILE  84  -8.208   8.661  -0.012
  634   HD11  ILE  84          HD11      ILE  84  -6.151   6.900  -0.518
  635   HD12  ILE  84          HD12      ILE  84  -5.585   5.801   0.741
  636   HD13  ILE  84          HD13      ILE  84  -4.547   7.114   0.186
  637    H    LYS  85           HN       LYS  85 -10.033   9.980   2.741
  638    HA   LYS  85           HA       LYS  85 -12.178   8.500   3.810
  639    HB2  LYS  85           HB2      LYS  85 -13.512  10.293   2.522
  640    HB3  LYS  85           HB1      LYS  85 -12.388  10.834   3.771
  641    HG2  LYS  85           HG2      LYS  85 -11.814  12.273   2.080
  642    HG3  LYS  85           HG1      LYS  85 -10.685  10.950   1.760
  643    HD2  LYS  85           HD2      LYS  85 -12.347  10.050   0.125
  644    HD3  LYS  85           HD1      LYS  85 -13.259  11.551   0.328
  645    HE2  LYS  85           HE2      LYS  85 -10.356  11.412  -0.490
  646    HE3  LYS  85           HE1      LYS  85 -11.706  11.563  -1.623
  647    HZ1  LYS  85           HZ1      LYS  85 -12.306  13.660  -0.614
  648    HZ2  LYS  85           HZ2      LYS  85 -10.684  13.710  -1.092
  649    HZ3  LYS  85           HZ3      LYS  85 -11.078  13.503   0.537
  650    H    GLY  86           HN       GLY  86 -10.851   6.860   1.918
  651    HA2  GLY  86           HA2      GLY  86 -12.444   6.995  -0.529
  652    HA3  GLY  86           HA1      GLY  86 -10.917   6.161  -0.333
  653    HA   PRO  87           HA       PRO  87 -14.546   3.212   0.474
  654    HB2  PRO  87           HB2      PRO  87 -15.172   2.265  -1.956
  655    HB3  PRO  87           HB1      PRO  87 -15.874   3.772  -1.344
  656    HG2  PRO  87           HG2      PRO  87 -13.592   3.378  -3.242
  657    HG3  PRO  87           HG1      PRO  87 -14.940   4.529  -3.342
  658    HD2  PRO  87           HD2      PRO  87 -12.436   5.174  -2.430
  659    HD3  PRO  87           HD1      PRO  87 -13.916   6.022  -1.934
  660    H    TYR  88           HN       TYR  88 -12.978   2.146  -2.530
  661    HA   TYR  88           HA       TYR  88 -11.352   0.338  -0.931
  662    HB2  TYR  88           HB2      TYR  88 -11.252  -1.134  -2.985
  663    HB3  TYR  88           HB1      TYR  88 -12.813  -1.058  -2.176
  664    HD1  TYR  88           HD1      TYR  88 -11.025  -0.541  -5.259
  665    HD2  TYR  88           HD2      TYR  88 -14.626   0.367  -3.187
  666    HE1  TYR  88           HE1      TYR  88 -12.106   0.034  -7.391
  667    HE2  TYR  88           HE2      TYR  88 -15.710   0.944  -5.309
  668    HH   TYR  88           HH       TYR  88 -14.556   0.084  -8.260
  669    H    ILE  89           HN       ILE  89  -9.373   0.939  -0.823
  670    HA   ILE  89           HA       ILE  89  -8.266   2.696  -2.882
  671    HB   ILE  89           HB       ILE  89  -7.162   1.988  -0.156
  672   HG12  ILE  89          HG12      ILE  89  -8.465   4.592  -0.899
  673   HG13  ILE  89          HG11      ILE  89  -9.438   3.224  -0.357
  674   HG21  ILE  89          HG21      ILE  89  -5.743   3.958  -0.476
  675   HG22  ILE  89          HG22      ILE  89  -6.428   4.192  -2.084
  676   HG23  ILE  89          HG23      ILE  89  -5.463   2.757  -1.736
  677   HD11  ILE  89          HD11      ILE  89  -8.921   4.778   1.456
  678   HD12  ILE  89          HD12      ILE  89  -7.199   4.502   1.198
  679   HD13  ILE  89          HD13      ILE  89  -8.232   3.182   1.745
  680    H    GLU  90           HN       GLU  90  -7.121   1.759  -4.429
  681    HA   GLU  90           HA       GLU  90  -6.103  -0.928  -4.004
  682    HB2  GLU  90           HB2      GLU  90  -6.077   0.779  -6.491
  683    HB3  GLU  90           HB1      GLU  90  -5.746  -0.945  -6.402
  684    HG2  GLU  90           HG2      GLU  90  -8.026  -1.416  -5.850
  685    HG3  GLU  90           HG1      GLU  90  -8.386   0.303  -5.657
  686    H    ILE  91           HN       ILE  91  -4.310  -0.666  -2.756
  687    HA   ILE  91           HA       ILE  91  -2.129   0.954  -3.828
  688    HB   ILE  91           HB       ILE  91  -2.256  -0.661  -1.271
  689   HG12  ILE  91          HG12      ILE  91  -2.730   2.264  -1.832
  690   HG13  ILE  91          HG11      ILE  91  -3.831   1.114  -1.072
  691   HG21  ILE  91          HG21      ILE  91  -0.232   1.361  -2.218
  692   HG22  ILE  91          HG22      ILE  91   0.027  -0.369  -2.011
  693   HG23  ILE  91          HG23      ILE  91  -0.279   0.647  -0.606
  694   HD11  ILE  91          HD11      ILE  91  -2.383   0.997   0.873
  695   HD12  ILE  91          HD12      ILE  91  -2.865   2.662   0.543
  696   HD13  ILE  91          HD13      ILE  91  -1.245   2.108   0.107
  697    H    LYS  92           HN       LYS  92  -1.193  -0.062  -5.506
  698    HA   LYS  92           HA       LYS  92  -0.175  -2.762  -5.216
  699    HB2  LYS  92           HB2      LYS  92  -1.422  -3.506  -7.294
  700    HB3  LYS  92           HB1      LYS  92  -2.446  -3.283  -5.875
  701    HG2  LYS  92           HG2      LYS  92  -3.723  -2.170  -7.392
  702    HG3  LYS  92           HG1      LYS  92  -2.664  -0.844  -6.892
  703    HD2  LYS  92           HD2      LYS  92  -2.731  -0.766  -9.239
  704    HD3  LYS  92           HD1      LYS  92  -1.172  -1.465  -8.822
  705    HE2  LYS  92           HE2      LYS  92  -2.143  -2.685 -10.670
  706    HE3  LYS  92           HE1      LYS  92  -2.085  -3.712  -9.235
  707    HZ1  LYS  92           HZ1      LYS  92  -4.192  -3.928 -10.378
  708    HZ2  LYS  92           HZ2      LYS  92  -4.479  -2.268 -10.241
  709    HZ3  LYS  92           HZ3      LYS  92  -4.428  -3.235  -8.855
  710    H    GLN  93           HN       GLN  93   1.440  -3.166  -6.782
  711    HA   GLN  93           HA       GLN  93   2.412  -0.728  -7.977
  712    HB2  GLN  93           HB2      GLN  93   4.403  -1.968  -8.516
  713    HB3  GLN  93           HB1      GLN  93   3.962  -2.168  -6.842
  714    HG2  GLN  93           HG2      GLN  93   2.936  -4.349  -7.394
  715    HG3  GLN  93           HG1      GLN  93   3.533  -4.161  -9.045
  716   HE21  GLN  93          HE21      GLN  93   6.002  -2.887  -8.163
  717   HE22  GLN  93          HE22      GLN  93   6.980  -4.150  -7.517
  718    H    ILE  94           HN       ILE  94   3.463  -1.014 -10.226
  719    HA   ILE  94           HA       ILE  94   1.252  -1.967 -11.887
  720    HB   ILE  94           HB       ILE  94   1.864   0.326 -13.147
  721   HG12  ILE  94          HG12      ILE  94   2.561   0.708 -10.233
  722   HG13  ILE  94          HG11      ILE  94   3.518   1.137 -11.645
  723   HG21  ILE  94          HG21      ILE  94  -0.092   1.312 -12.019
  724   HG22  ILE  94          HG22      ILE  94  -0.021   0.029 -10.812
  725   HG23  ILE  94          HG23      ILE  94  -0.365  -0.363 -12.496
  726   HD11  ILE  94          HD11      ILE  94   0.971   2.483 -10.789
  727   HD12  ILE  94          HD12      ILE  94   1.993   2.947 -12.151
  728   HD13  ILE  94          HD13      ILE  94   2.604   3.086 -10.498
  Start of MODEL    7
    1    H    ASP   1           HT1      ASP   1 -16.818  -8.341  -8.287
    2    HA   ASP   1           HA       ASP   1 -19.021  -8.990  -9.063
    3    HB2  ASP   1           HB2      ASP   1 -18.362 -11.301  -9.716
    4    HB3  ASP   1           HB1      ASP   1 -18.236 -11.717  -8.009
    5    H    ASN   2           HN       ASN   2 -17.125  -9.856  -6.267
    6    HA   ASN   2           HA       ASN   2 -19.374  -9.426  -4.456
    7    HB2  ASN   2           HB2      ASN   2 -16.534 -10.350  -3.951
    8    HB3  ASN   2           HB1      ASN   2 -17.720 -10.088  -2.678
    9   HD21  ASN   2          HD21      ASN   2 -19.382 -11.552  -2.407
   10   HD22  ASN   2          HD22      ASN   2 -19.400 -13.096  -3.190
   11    H    GLN   3           HN       GLN   3 -16.348  -8.067  -5.478
   12    HA   GLN   3           HA       GLN   3 -16.064  -5.986  -3.605
   13    HB2  GLN   3           HB2      GLN   3 -15.280  -5.966  -6.524
   14    HB3  GLN   3           HB1      GLN   3 -14.636  -4.928  -5.265
   15    HG2  GLN   3           HG2      GLN   3 -13.023  -6.575  -5.705
   16    HG3  GLN   3           HG1      GLN   3 -13.742  -6.976  -4.150
   17   HE21  GLN   3          HE21      GLN   3 -13.120  -9.128  -4.310
   18   HE22  GLN   3          HE22      GLN   3 -13.874 -10.233  -5.406
   19    H    LYS   4           HN       LYS   4 -18.154  -6.526  -6.186
   20    HA   LYS   4           HA       LYS   4 -19.144  -4.153  -7.032
   21    HB2  LYS   4           HB2      LYS   4 -19.908  -6.557  -7.507
   22    HB3  LYS   4           HB1      LYS   4 -20.902  -6.397  -6.066
   23    HG2  LYS   4           HG2      LYS   4 -22.083  -4.505  -7.058
   24    HG3  LYS   4           HG1      LYS   4 -21.101  -4.658  -8.514
   25    HD2  LYS   4           HD2      LYS   4 -23.301  -5.707  -8.789
   26    HD3  LYS   4           HD1      LYS   4 -21.996  -6.886  -8.909
   27    HE2  LYS   4           HE2      LYS   4 -23.873  -7.741  -7.587
   28    HE3  LYS   4           HE1      LYS   4 -22.407  -7.605  -6.621
   29    HZ1  LYS   4           HZ1      LYS   4 -24.674  -5.686  -6.626
   30    HZ2  LYS   4           HZ2      LYS   4 -23.263  -5.519  -5.714
   31    HZ3  LYS   4           HZ3      LYS   4 -24.320  -6.800  -5.407
   32    H    ALA   5           HN       ALA   5 -20.349  -5.867  -4.136
   33    HA   ALA   5           HA       ALA   5 -21.528  -3.390  -3.159
   34    HB1  ALA   5           HB1      ALA   5 -22.856  -5.449  -3.097
   35    HB2  ALA   5           HB2      ALA   5 -22.612  -4.771  -1.487
   36    HB3  ALA   5           HB3      ALA   5 -21.670  -6.167  -2.008
   37    H    LEU   6           HN       LEU   6 -18.769  -5.346  -2.644
   38    HA   LEU   6           HA       LEU   6 -18.305  -4.361   0.050
   39    HB2  LEU   6           HB2      LEU   6 -16.656  -6.197  -1.690
   40    HB3  LEU   6           HB1      LEU   6 -16.319  -5.823  -0.010
   41    HG   LEU   6           HG       LEU   6 -18.754  -7.286  -1.038
   42   HD11  LEU   6          HD11      LEU   6 -16.719  -8.618  -1.166
   43   HD12  LEU   6          HD12      LEU   6 -17.788  -9.218   0.101
   44   HD13  LEU   6          HD13      LEU   6 -16.368  -8.262   0.524
   45   HD21  LEU   6          HD21      LEU   6 -19.255  -7.681   1.327
   46   HD22  LEU   6          HD22      LEU   6 -19.287  -5.964   0.934
   47   HD23  LEU   6          HD23      LEU   6 -17.902  -6.648   1.785
   48    H    GLU   7           HN       GLU   7 -15.860  -3.772   0.449
   49    HA   GLU   7           HA       GLU   7 -15.396  -1.459  -1.289
   50    HB2  GLU   7           HB2      GLU   7 -14.730  -2.051   1.575
   51    HB3  GLU   7           HB1      GLU   7 -13.857  -0.802   0.703
   52    HG2  GLU   7           HG2      GLU   7 -15.633   0.186   1.974
   53    HG3  GLU   7           HG1      GLU   7 -15.982   0.346   0.255
   54    H    GLU   8           HN       GLU   8 -14.401  -4.393  -1.545
   55    HA   GLU   8           HA       GLU   8 -12.644  -5.366  -2.595
   56    HB2  GLU   8           HB2      GLU   8 -11.788  -2.495  -2.956
   57    HB3  GLU   8           HB1      GLU   8 -10.917  -3.859  -3.650
   58    HG2  GLU   8           HG2      GLU   8 -12.803  -4.486  -4.962
   59    HG3  GLU   8           HG1      GLU   8 -13.826  -3.299  -4.155
   60    H    GLN   9           HN       GLN   9 -12.636  -4.534   0.306
   61    HA   GLN   9           HA       GLN   9  -9.841  -4.417   1.020
   62    HB2  GLN   9           HB2      GLN   9 -12.358  -4.764   2.650
   63    HB3  GLN   9           HB1      GLN   9 -10.750  -4.649   3.346
   64    HG2  GLN   9           HG2      GLN   9 -10.563  -2.426   2.916
   65    HG3  GLN   9           HG1      GLN   9 -11.621  -2.494   1.508
   66   HE21  GLN   9          HE21      GLN   9 -13.770  -3.849   2.756
   67   HE22  GLN   9          HE22      GLN   9 -14.516  -2.741   3.853
   68    H    MET  10           HN       MET  10 -11.114  -6.739  -0.470
   69    HA   MET  10           HA       MET  10 -11.063  -8.947   1.383
   70    HB2  MET  10           HB2      MET  10 -11.281  -8.977  -1.629
   71    HB3  MET  10           HB1      MET  10 -11.685 -10.290  -0.537
   72    HG2  MET  10           HG2      MET  10 -13.540  -9.071   0.348
   73    HG3  MET  10           HG1      MET  10 -13.079  -7.627  -0.550
   74    HE1  MET  10           HE1      MET  10 -14.690 -11.490  -2.496
   75    HE2  MET  10           HE2      MET  10 -14.477 -11.273  -0.759
   76    HE3  MET  10           HE3      MET  10 -13.068 -11.375  -1.815
   77    H    ASN  11           HN       ASN  11  -9.943 -10.777  -0.692
   78    HA   ASN  11           HA       ASN  11  -7.296 -10.896   0.260
   79    HB2  ASN  11           HB2      ASN  11  -8.638 -12.244  -2.079
   80    HB3  ASN  11           HB1      ASN  11  -6.966 -12.562  -1.630
   81   HD21  ASN  11          HD21      ASN  11  -9.225 -14.375  -1.673
   82   HD22  ASN  11          HD22      ASN  11  -9.373 -14.995  -0.063
   83    H    SER  12           HN       SER  12  -8.596  -8.863  -2.099
   84    HA   SER  12           HA       SER  12  -6.522  -8.612  -3.933
   85    HB2  SER  12           HB2      SER  12  -8.743  -7.483  -4.106
   86    HB3  SER  12           HB1      SER  12  -8.227  -6.355  -2.848
   87    HG   SER  12           HG       SER  12  -7.314  -5.253  -4.373
   88    H    ILE  13           HN       ILE  13  -6.915  -7.118  -0.723
   89    HA   ILE  13           HA       ILE  13  -4.369  -5.764  -1.004
   90    HB   ILE  13           HB       ILE  13  -4.738  -4.891   1.256
   91   HG12  ILE  13          HG12      ILE  13  -7.356  -5.391   1.900
   92   HG13  ILE  13          HG11      ILE  13  -6.817  -6.961   1.314
   93   HG21  ILE  13          HG21      ILE  13  -7.136  -4.597  -0.541
   94   HG22  ILE  13          HG22      ILE  13  -5.631  -3.682  -0.645
   95   HG23  ILE  13          HG23      ILE  13  -6.678  -3.499   0.763
   96   HD11  ILE  13          HD11      ILE  13  -4.976  -6.924   2.915
   97   HD12  ILE  13          HD12      ILE  13  -6.541  -6.777   3.717
   98   HD13  ILE  13          HD13      ILE  13  -5.521  -5.354   3.504
   99    H    ASN  14           HN       ASN  14  -5.614  -8.669   0.477
  100    HA   ASN  14           HA       ASN  14  -3.443  -9.200   2.214
  101    HB2  ASN  14           HB2      ASN  14  -5.242 -11.139   0.790
  102    HB3  ASN  14           HB1      ASN  14  -4.145 -11.561   2.089
  103   HD21  ASN  14          HD21      ASN  14  -5.679 -12.292   3.473
  104   HD22  ASN  14          HD22      ASN  14  -6.851 -11.265   4.233
  105    H    SER  15           HN       SER  15  -4.129 -10.156  -1.122
  106    HA   SER  15           HA       SER  15  -1.857 -11.705  -1.595
  107    HB2  SER  15           HB2      SER  15  -3.245  -9.872  -3.574
  108    HB3  SER  15           HB1      SER  15  -2.230 -11.259  -3.968
  109    HG   SER  15           HG       SER  15  -4.737 -11.285  -2.628
  110    H    VAL  16           HN       VAL  16  -2.308  -8.225  -1.628
  111    HA   VAL  16           HA       VAL  16   0.358  -7.632  -2.511
  112    HB   VAL  16           HB       VAL  16  -1.626  -5.856  -1.071
  113   HG11  VAL  16          HG11      VAL  16   0.838  -5.168  -2.675
  114   HG12  VAL  16          HG12      VAL  16   0.653  -5.009  -0.928
  115   HG13  VAL  16          HG13      VAL  16  -0.311  -4.008  -2.011
  116   HG21  VAL  16          HG21      VAL  16  -1.078  -6.170  -4.019
  117   HG22  VAL  16          HG22      VAL  16  -2.159  -4.981  -3.293
  118   HG23  VAL  16          HG23      VAL  16  -2.528  -6.702  -3.170
  119    H    ASN  17           HN       ASN  17  -1.269  -8.131   0.593
  120    HA   ASN  17           HA       ASN  17   0.773  -7.072   2.245
  121    HB2  ASN  17           HB2      ASN  17  -1.306  -9.209   2.692
  122    HB3  ASN  17           HB1      ASN  17  -0.124  -8.812   3.934
  123   HD21  ASN  17          HD21      ASN  17  -3.040  -8.513   3.881
  124   HD22  ASN  17          HD22      ASN  17  -3.337  -6.840   4.210
  125    H    ASP  18           HN       ASP  18   0.190 -10.347   1.063
  126    HA   ASP  18           HA       ASP  18   2.642 -11.394   2.088
  127    HB2  ASP  18           HB2      ASP  18   0.591 -12.450   0.147
  128    HB3  ASP  18           HB1      ASP  18   2.054 -13.348   0.549
  129    H    LYS  19           HN       LYS  19   1.872  -9.493  -0.579
  130    HA   LYS  19           HA       LYS  19   3.968 -10.427  -2.343
  131    HB2  LYS  19           HB2      LYS  19   1.687  -9.133  -2.843
  132    HB3  LYS  19           HB1      LYS  19   2.703  -7.724  -2.601
  133    HG2  LYS  19           HG2      LYS  19   3.206  -9.901  -4.618
  134    HG3  LYS  19           HG1      LYS  19   2.446  -8.348  -4.962
  135    HD2  LYS  19           HD2      LYS  19   5.246  -8.716  -3.904
  136    HD3  LYS  19           HD1      LYS  19   4.825  -8.432  -5.589
  137    HE2  LYS  19           HE2      LYS  19   3.793  -6.278  -4.918
  138    HE3  LYS  19           HE1      LYS  19   4.364  -6.561  -3.273
  139    HZ1  LYS  19           HZ1      LYS  19   5.948  -5.166  -4.341
  140    HZ2  LYS  19           HZ2      LYS  19   6.012  -6.165  -5.708
  141    HZ3  LYS  19           HZ3      LYS  19   6.646  -6.706  -4.239
  142    H    LEU  20           HN       LEU  20   3.311  -7.700  -0.230
  143    HA   LEU  20           HA       LEU  20   5.863  -6.462  -0.642
  144    HB2  LEU  20           HB2      LEU  20   3.635  -5.954   1.321
  145    HB3  LEU  20           HB1      LEU  20   5.054  -4.928   1.157
  146    HG   LEU  20           HG       LEU  20   2.970  -5.436  -0.978
  147   HD11  LEU  20          HD11      LEU  20   3.585  -2.937   0.584
  148   HD12  LEU  20          HD12      LEU  20   2.212  -4.004   0.872
  149   HD13  LEU  20          HD13      LEU  20   2.345  -3.131  -0.653
  150   HD21  LEU  20          HD21      LEU  20   4.169  -3.696  -2.235
  151   HD22  LEU  20          HD22      LEU  20   5.164  -5.124  -1.966
  152   HD23  LEU  20          HD23      LEU  20   5.419  -3.676  -0.994
  153    H    ASN  21           HN       ASN  21   4.382  -8.492   1.821
  154    HA   ASN  21           HA       ASN  21   6.697  -8.431   3.532
  155    HB2  ASN  21           HB2      ASN  21   4.114  -9.973   3.507
  156    HB3  ASN  21           HB1      ASN  21   5.439 -10.503   4.543
  157   HD21  ASN  21          HD21      ASN  21   3.031  -8.007   3.988
  158   HD22  ASN  21          HD22      ASN  21   3.237  -7.223   5.520
  159    H    LYS  22           HN       LYS  22   8.120  -8.912   1.630
  160    HA   LYS  22           HA       LYS  22   8.092 -11.732   0.821
  161    HB2  LYS  22           HB2      LYS  22   9.777 -10.769  -0.953
  162    HB3  LYS  22           HB1      LYS  22   8.041 -10.594  -1.159
  163    HG2  LYS  22           HG2      LYS  22   9.255  -8.549  -1.718
  164    HG3  LYS  22           HG1      LYS  22   8.139  -8.308  -0.378
  165    HD2  LYS  22           HD2      LYS  22   9.965  -8.361   1.206
  166    HD3  LYS  22           HD1      LYS  22  11.109  -8.771  -0.074
  167    HE2  LYS  22           HE2      LYS  22  11.039  -6.325   0.691
  168    HE3  LYS  22           HE1      LYS  22  10.957  -6.645  -1.049
  169    HZ1  LYS  22           HZ1      LYS  22   9.325  -5.015  -0.506
  170    HZ2  LYS  22           HZ2      LYS  22   8.703  -5.951   0.757
  171    HZ3  LYS  22           HZ3      LYS  22   8.499  -6.451  -0.848
  172    H    GLY  23           HN       GLY  23   9.773  -9.725   2.899
  173    HA2  GLY  23           HA2      GLY  23  11.650 -11.422   3.842
  174    HA3  GLY  23           HA1      GLY  23  12.425 -10.780   2.392
  175    H    LYS  24           HN       LYS  24  12.757  -8.456   2.261
  176    HA   LYS  24           HA       LYS  24  12.826  -7.131   4.864
  177    HB2  LYS  24           HB2      LYS  24  14.718  -7.214   3.029
  178    HB3  LYS  24           HB1      LYS  24  13.773  -5.931   2.276
  179    HG2  LYS  24           HG2      LYS  24  14.111  -4.486   4.102
  180    HG3  LYS  24           HG1      LYS  24  14.750  -5.789   5.114
  181    HD2  LYS  24           HD2      LYS  24  16.684  -5.997   3.751
  182    HD3  LYS  24           HD1      LYS  24  15.999  -4.923   2.534
  183    HE2  LYS  24           HE2      LYS  24  16.184  -3.041   4.019
  184    HE3  LYS  24           HE1      LYS  24  16.646  -4.087   5.360
  185    HZ1  LYS  24           HZ1      LYS  24  18.678  -4.644   4.169
  186    HZ2  LYS  24           HZ2      LYS  24  18.565  -2.976   4.419
  187    HZ3  LYS  24           HZ3      LYS  24  18.238  -3.623   2.895
  188    H    GLY  25           HN       GLY  25  12.331  -4.588   4.361
  189    HA2  GLY  25           HA2      GLY  25  10.544  -3.117   4.099
  190    HA3  GLY  25           HA1      GLY  25  10.898  -3.509   2.451
  191    H    LYS  26           HN       LYS  26   8.742  -3.938   5.075
  192    HA   LYS  26           HA       LYS  26   6.924  -5.299   3.214
  193    HB2  LYS  26           HB2      LYS  26   6.218  -6.772   5.047
  194    HB3  LYS  26           HB1      LYS  26   7.924  -6.949   4.637
  195    HG2  LYS  26           HG2      LYS  26   8.250  -5.212   6.568
  196    HG3  LYS  26           HG1      LYS  26   6.676  -5.830   7.088
  197    HD2  LYS  26           HD2      LYS  26   8.238  -7.203   8.171
  198    HD3  LYS  26           HD1      LYS  26   7.691  -8.151   6.788
  199    HE2  LYS  26           HE2      LYS  26   9.715  -7.166   5.538
  200    HE3  LYS  26           HE1      LYS  26  10.271  -6.669   7.143
  201    HZ1  LYS  26           HZ1      LYS  26  10.310  -8.903   7.896
  202    HZ2  LYS  26           HZ2      LYS  26  11.139  -8.868   6.420
  203    HZ3  LYS  26           HZ3      LYS  26   9.562  -9.469   6.493
  204    H    LEU  27           HN       LEU  27   4.770  -4.882   3.407
  205    HA   LEU  27           HA       LEU  27   4.065  -2.714   5.251
  206    HB2  LEU  27           HB2      LEU  27   4.448  -2.033   2.815
  207    HB3  LEU  27           HB1      LEU  27   2.992  -2.946   2.432
  208    HG   LEU  27           HG       LEU  27   1.693  -1.501   3.924
  209   HD11  LEU  27          HD11      LEU  27   2.754   0.555   4.792
  210   HD12  LEU  27          HD12      LEU  27   4.321  -0.082   4.296
  211   HD13  LEU  27          HD13      LEU  27   3.380  -0.916   5.531
  212   HD21  LEU  27          HD21      LEU  27   1.777   0.518   2.555
  213   HD22  LEU  27          HD22      LEU  27   1.895  -0.930   1.553
  214   HD23  LEU  27          HD23      LEU  27   3.339   0.021   1.903
  215    H    SER  28           HN       SER  28   2.353  -3.146   6.469
  216    HA   SER  28           HA       SER  28   0.572  -5.336   5.669
  217    HB2  SER  28           HB2      SER  28   0.800  -3.865   8.318
  218    HB3  SER  28           HB1      SER  28  -0.243  -5.255   7.998
  219    HG   SER  28           HG       SER  28   2.597  -5.182   7.930
  220    H    LEU  29           HN       LEU  29  -1.137  -4.710   4.533
  221    HA   LEU  29           HA       LEU  29  -1.965  -1.961   4.387
  222    HB2  LEU  29           HB2      LEU  29  -2.836  -4.510   3.060
  223    HB3  LEU  29           HB1      LEU  29  -3.666  -2.989   2.782
  224    HG   LEU  29           HG       LEU  29  -1.789  -2.062   1.668
  225   HD11  LEU  29          HD11      LEU  29   0.356  -3.159   1.424
  226   HD12  LEU  29          HD12      LEU  29  -0.195  -4.497   2.431
  227   HD13  LEU  29          HD13      LEU  29  -0.000  -2.890   3.130
  228   HD21  LEU  29          HD21      LEU  29  -1.440  -3.672  -0.146
  229   HD22  LEU  29          HD22      LEU  29  -3.129  -3.579   0.351
  230   HD23  LEU  29          HD23      LEU  29  -2.131  -4.939   0.869
  231    H    SER  30           HN       SER  30  -3.648  -0.978   5.334
  232    HA   SER  30           HA       SER  30  -5.900  -2.659   6.024
  233    HB2  SER  30           HB2      SER  30  -4.691  -0.658   7.948
  234    HB3  SER  30           HB1      SER  30  -6.171  -1.582   8.223
  235    HG   SER  30           HG       SER  30  -4.515  -3.422   7.680
  236    H    MET  31           HN       MET  31  -7.774  -1.779   5.384
  237    HA   MET  31           HA       MET  31  -7.821   1.115   4.827
  238    HB2  MET  31           HB2      MET  31  -9.288  -0.989   3.225
  239    HB3  MET  31           HB1      MET  31  -9.200   0.729   2.875
  240    HG2  MET  31           HG2      MET  31  -6.687   0.375   2.653
  241    HG3  MET  31           HG1      MET  31  -7.053  -1.345   2.618
  242    HE1  MET  31           HE1      MET  31  -8.646  -2.458   0.756
  243    HE2  MET  31           HE2      MET  31  -9.319  -1.568  -0.610
  244    HE3  MET  31           HE3      MET  31  -9.903  -1.251   1.024
  245    H    ASN  32           HN       ASN  32  -9.471   2.201   5.734
  246    HA   ASN  32           HA       ASN  32 -11.886   0.774   6.517
  247    HB2  ASN  32           HB2      ASN  32 -10.477   0.487   8.474
  248    HB3  ASN  32           HB1      ASN  32 -10.125   2.213   8.511
  249   HD21  ASN  32          HD21      ASN  32 -10.904   2.416  10.597
  250   HD22  ASN  32          HD22      ASN  32 -12.599   2.365  10.960
  251    H    GLY  33           HN       GLY  33 -12.919   2.065   5.002
  252    HA2  GLY  33           HA2      GLY  33 -14.225   3.818   4.348
  253    HA3  GLY  33           HA1      GLY  33 -14.238   4.280   6.042
  254    H    ASN  34           HN       ASN  34 -12.916   5.972   6.732
  255    HA   ASN  34           HA       ASN  34 -11.829   7.587   4.540
  256    HB2  ASN  34           HB2      ASN  34 -13.669   8.452   6.155
  257    HB3  ASN  34           HB1      ASN  34 -12.360   8.617   7.318
  258   HD21  ASN  34          HD21      ASN  34 -10.374   9.350   5.275
  259   HD22  ASN  34          HD22      ASN  34 -10.765  10.988   4.820
  260    H    GLN  35           HN       GLN  35 -10.373   5.376   5.663
  261    HA   GLN  35           HA       GLN  35  -7.995   6.862   6.358
  262    HB2  GLN  35           HB2      GLN  35  -8.919   6.423   8.553
  263    HB3  GLN  35           HB1      GLN  35  -9.053   4.704   8.178
  264    HG2  GLN  35           HG2      GLN  35  -6.603   4.612   7.899
  265    HG3  GLN  35           HG1      GLN  35  -6.512   6.304   8.392
  266   HE21  GLN  35          HE21      GLN  35  -7.163   3.046   9.420
  267   HE22  GLN  35          HE22      GLN  35  -7.071   3.354  11.126
  268    H    LEU  36           HN       LEU  36  -6.260   6.082   5.496
  269    HA   LEU  36           HA       LEU  36  -6.025   3.193   4.963
  270    HB2  LEU  36           HB2      LEU  36  -5.973   4.841   2.963
  271    HB3  LEU  36           HB1      LEU  36  -4.444   5.391   3.607
  272    HG   LEU  36           HG       LEU  36  -4.214   3.804   1.719
  273   HD11  LEU  36          HD11      LEU  36  -2.546   2.333   2.740
  274   HD12  LEU  36          HD12      LEU  36  -3.131   2.792   4.339
  275   HD13  LEU  36          HD13      LEU  36  -2.388   4.000   3.293
  276   HD21  LEU  36          HD21      LEU  36  -6.188   2.438   2.223
  277   HD22  LEU  36          HD22      LEU  36  -5.345   1.765   3.619
  278   HD23  LEU  36          HD23      LEU  36  -4.732   1.471   1.994
  279    H    LYS  37           HN       LYS  37  -4.493   2.240   6.178
  280    HA   LYS  37           HA       LYS  37  -2.293   3.839   7.299
  281    HB2  LYS  37           HB2      LYS  37  -2.699   3.076   9.562
  282    HB3  LYS  37           HB1      LYS  37  -4.134   3.913   8.984
  283    HG2  LYS  37           HG2      LYS  37  -5.362   1.952   8.821
  284    HG3  LYS  37           HG1      LYS  37  -3.919   0.937   8.816
  285    HD2  LYS  37           HD2      LYS  37  -3.489   1.605  11.154
  286    HD3  LYS  37           HD1      LYS  37  -4.994   2.524  11.143
  287    HE2  LYS  37           HE2      LYS  37  -6.264   0.505  10.765
  288    HE3  LYS  37           HE1      LYS  37  -4.781  -0.437  10.640
  289    HZ1  LYS  37           HZ1      LYS  37  -5.799  -0.661  12.815
  290    HZ2  LYS  37           HZ2      LYS  37  -5.704   1.008  13.062
  291    HZ3  LYS  37           HZ3      LYS  37  -4.289   0.091  12.940
  292    H    ALA  38           HN       ALA  38  -0.516   2.543   7.769
  293    HA   ALA  38           HA       ALA  38  -0.681  -0.315   7.367
  294    HB1  ALA  38           HB1      ALA  38  -0.600   0.536   5.080
  295    HB2  ALA  38           HB2      ALA  38   0.873  -0.342   5.489
  296    HB3  ALA  38           HB3      ALA  38   0.876   1.421   5.457
  297    H    THR  39           HN       THR  39   0.992  -1.390   8.327
  298    HA   THR  39           HA       THR  39   3.024   0.258   9.634
  299    HB   THR  39           HB       THR  39   3.553  -1.722  10.976
  300    HG1  THR  39           HG1      THR  39   3.045  -3.308   9.401
  301   HG21  THR  39          HG21      THR  39   1.771  -0.258  11.786
  302   HG22  THR  39          HG22      THR  39   1.446  -1.938  12.214
  303   HG23  THR  39          HG23      THR  39   0.582  -1.186  10.872
  304    H    SER  40           HN       SER  40   5.138   0.062   9.187
  305    HA   SER  40           HA       SER  40   5.892  -1.792   7.034
  306    HB2  SER  40           HB2      SER  40   7.633  -0.050   6.461
  307    HB3  SER  40           HB1      SER  40   5.961   0.429   6.158
  308    HG   SER  40           HG       SER  40   5.989   1.659   8.016
  309    H    SER  41           HN       SER  41   7.226  -3.307   7.678
  310    HA   SER  41           HA       SER  41   8.682  -2.854  10.178
  311    HB2  SER  41           HB2      SER  41   7.969  -5.483   8.872
  312    HB3  SER  41           HB1      SER  41   8.673  -5.265  10.472
  313    HG   SER  41           HG       SER  41   6.673  -3.916  10.832
  314    H    ASN  42           HN       ASN  42  10.609  -4.615  10.217
  315    HA   ASN  42           HA       ASN  42  12.795  -4.812   9.711
  316    HB2  ASN  42           HB2      ASN  42  11.603  -5.246   7.258
  317    HB3  ASN  42           HB1      ASN  42  12.736  -3.947   6.914
  318   HD21  ASN  42          HD21      ASN  42  12.403  -7.225   8.073
  319   HD22  ASN  42          HD22      ASN  42  14.058  -7.684   7.826
  320    H    ALA  43           HN       ALA  43  11.716  -2.537  10.760
  321    HA   ALA  43           HA       ALA  43  12.272  -0.454  11.405
  322    HB1  ALA  43           HB1      ALA  43  14.558   0.292  11.114
  323    HB2  ALA  43           HB2      ALA  43  14.830  -0.966   9.909
  324    HB3  ALA  43           HB3      ALA  43  14.508  -1.406  11.584
  325    H    GLY  44           HN       GLY  44  10.918  -0.926   8.819
  326    HA2  GLY  44           HA2      GLY  44   9.857   0.534   7.391
  327    HA3  GLY  44           HA1      GLY  44  10.802   1.837   8.099
  328    H    TYR  45           HN       TYR  45  12.771  -0.695   6.980
  329    HA   TYR  45           HA       TYR  45  13.786   0.934   4.853
  330    HB2  TYR  45           HB2      TYR  45  14.445  -1.839   5.816
  331    HB3  TYR  45           HB1      TYR  45  15.155  -1.183   4.343
  332    HD1  TYR  45           HD1      TYR  45  15.270  -1.168   7.971
  333    HD2  TYR  45           HD2      TYR  45  16.575   0.857   4.461
  334    HE1  TYR  45           HE1      TYR  45  17.020  -0.045   9.274
  335    HE2  TYR  45           HE2      TYR  45  18.329   1.983   5.763
  336    HH   TYR  45           HH       TYR  45  18.761   2.601   8.127
  337    H    GLY  46           HN       GLY  46  14.272  -0.352   2.690
  338    HA2  GLY  46           HA2      GLY  46  11.601  -1.019   1.678
  339    HA3  GLY  46           HA1      GLY  46  12.943  -0.421   0.717
  340    H    ILE  47           HN       ILE  47  12.518  -2.141  -0.752
  341    HA   ILE  47           HA       ILE  47  12.666  -4.872  -0.318
  342    HB   ILE  47           HB       ILE  47  14.116  -3.427  -2.529
  343   HG12  ILE  47          HG12      ILE  47  11.684  -2.794  -2.338
  344   HG13  ILE  47          HG11      ILE  47  12.165  -3.495  -3.882
  345   HG21  ILE  47          HG21      ILE  47  13.723  -5.520  -3.796
  346   HG22  ILE  47          HG22      ILE  47  13.039  -6.236  -2.337
  347   HG23  ILE  47          HG23      ILE  47  14.734  -5.749  -2.370
  348   HD11  ILE  47          HD11      ILE  47  10.674  -4.853  -1.660
  349   HD12  ILE  47          HD12      ILE  47  11.267  -5.666  -3.108
  350   HD13  ILE  47          HD13      ILE  47  10.053  -4.394  -3.244
  351    H    SER  48           HN       SER  48  15.335  -2.866  -1.388
  352    HA   SER  48           HA       SER  48  17.238  -3.422   0.453
  353    HB2  SER  48           HB2      SER  48  16.900  -5.817  -0.248
  354    HB3  SER  48           HB1      SER  48  17.501  -5.365  -1.845
  355    HG   SER  48           HG       SER  48  19.221  -6.155  -0.690
  356    H    TYR  49           HN       TYR  49  17.371  -3.805  -3.106
  357    HA   TYR  49           HA       TYR  49  18.333  -1.072  -3.311
  358    HB2  TYR  49           HB2      TYR  49  20.298  -1.720  -4.690
  359    HB3  TYR  49           HB1      TYR  49  20.408  -2.195  -3.007
  360    HD1  TYR  49           HD1      TYR  49  20.773  -4.466  -2.402
  361    HD2  TYR  49           HD2      TYR  49  19.674  -3.543  -6.430
  362    HE1  TYR  49           HE1      TYR  49  21.268  -6.767  -3.074
  363    HE2  TYR  49           HE2      TYR  49  20.174  -5.850  -7.086
  364    HH   TYR  49           HH       TYR  49  21.547  -7.733  -6.309
  365    H    GLU  50           HN       GLU  50  16.843  -3.818  -4.810
  366    HA   GLU  50           HA       GLU  50  17.013  -2.919  -7.487
  367    HB2  GLU  50           HB2      GLU  50  15.143  -4.572  -7.880
  368    HB3  GLU  50           HB1      GLU  50  16.609  -5.232  -7.159
  369    HG2  GLU  50           HG2      GLU  50  15.412  -4.901  -4.918
  370    HG3  GLU  50           HG1      GLU  50  13.951  -4.712  -5.888
  371    H    ASP  51           HN       ASP  51  15.517  -2.024  -8.825
  372    HA   ASP  51           HA       ASP  51  13.937   0.055  -7.548
  373    HB2  ASP  51           HB2      ASP  51  15.508   0.602  -9.370
  374    HB3  ASP  51           HB1      ASP  51  14.628  -0.468 -10.458
  375    H    LYS  52           HN       LYS  52  11.806  -0.190  -7.217
  376    HA   LYS  52           HA       LYS  52  10.292  -1.823  -9.141
  377    HB2  LYS  52           HB2      LYS  52  10.251  -1.878  -6.169
  378    HB3  LYS  52           HB1      LYS  52   8.712  -2.075  -7.005
  379    HG2  LYS  52           HG2      LYS  52   9.594  -4.236  -6.594
  380    HG3  LYS  52           HG1      LYS  52   9.748  -3.923  -8.317
  381    HD2  LYS  52           HD2      LYS  52  12.127  -3.132  -7.735
  382    HD3  LYS  52           HD1      LYS  52  11.875  -3.982  -6.209
  383    HE2  LYS  52           HE2      LYS  52  12.988  -5.439  -7.782
  384    HE3  LYS  52           HE1      LYS  52  11.359  -6.032  -7.467
  385    HZ1  LYS  52           HZ1      LYS  52  10.617  -5.180  -9.542
  386    HZ2  LYS  52           HZ2      LYS  52  12.030  -6.060  -9.839
  387    HZ3  LYS  52           HZ3      LYS  52  12.081  -4.372  -9.815
  388    H    ASN  53           HN       ASN  53   8.481  -0.975  -9.956
  389    HA   ASN  53           HA       ASN  53   7.942   1.811  -9.241
  390    HB2  ASN  53           HB2      ASN  53   6.534   1.678 -11.434
  391    HB3  ASN  53           HB1      ASN  53   8.291   1.782 -11.529
  392   HD21  ASN  53          HD21      ASN  53   5.520  -0.330 -11.845
  393   HD22  ASN  53          HD22      ASN  53   6.335  -1.556 -12.765
  394    H    TRP  54           HN       TRP  54   6.495   2.057  -7.760
  395    HA   TRP  54           HA       TRP  54   4.241   0.196  -7.562
  396    HB2  TRP  54           HB2      TRP  54   6.117   1.213  -5.728
  397    HB3  TRP  54           HB1      TRP  54   4.550   1.921  -5.324
  398    HD1  TRP  54           HD1      TRP  54   6.342  -1.431  -5.465
  399    HE1  TRP  54           HE1      TRP  54   4.956  -3.109  -4.071
  400    HE3  TRP  54           HE3      TRP  54   2.287   1.437  -4.738
  401    HZ2  TRP  54           HZ2      TRP  54   2.353  -3.148  -2.820
  402    HZ3  TRP  54           HZ3      TRP  54   0.394   0.581  -3.497
  403    HH2  TRP  54           HH2      TRP  54   0.435  -1.679  -2.520
  404    H    GLY  55           HN       GLY  55   2.134   1.136  -6.680
  405    HA2  GLY  55           HA2      GLY  55   1.884   3.983  -6.613
  406    HA3  GLY  55           HA1      GLY  55   1.195   3.293  -8.052
  407    H    ILE  56           HN       ILE  56  -0.240   4.805  -6.276
  408    HA   ILE  56           HA       ILE  56  -2.196   2.782  -5.364
  409    HB   ILE  56           HB       ILE  56  -1.750   5.538  -4.193
  410   HG12  ILE  56          HG12      ILE  56  -1.389   4.167  -2.090
  411   HG13  ILE  56          HG11      ILE  56  -1.237   2.764  -3.151
  412   HG21  ILE  56          HG21      ILE  56  -3.508   4.952  -2.605
  413   HG22  ILE  56          HG22      ILE  56  -3.753   3.415  -3.433
  414   HG23  ILE  56          HG23      ILE  56  -4.118   4.929  -4.260
  415   HD11  ILE  56          HD11      ILE  56   0.706   3.767  -4.199
  416   HD12  ILE  56          HD12      ILE  56   0.926   3.677  -2.451
  417   HD13  ILE  56          HD13      ILE  56   0.517   5.214  -3.208
  418    H    PHE  57           HN       PHE  57  -4.115   2.839  -6.352
  419    HA   PHE  57           HA       PHE  57  -4.990   5.388  -7.559
  420    HB2  PHE  57           HB2      PHE  57  -5.946   2.681  -8.488
  421    HB3  PHE  57           HB1      PHE  57  -6.109   4.227  -9.299
  422    HD1  PHE  57           HD1      PHE  57  -3.872   1.437  -8.567
  423    HD2  PHE  57           HD2      PHE  57  -4.287   5.174 -10.560
  424    HE1  PHE  57           HE1      PHE  57  -1.835   0.967  -9.861
  425    HE2  PHE  57           HE2      PHE  57  -2.249   4.707 -11.859
  426    HZ   PHE  57           HZ       PHE  57  -1.022   2.602 -11.507
  427    H    VAL  58           HN       VAL  58  -6.622   6.255  -6.467
  428    HA   VAL  58           HA       VAL  58  -8.456   4.451  -5.028
  429    HB   VAL  58           HB       VAL  58  -7.313   5.687  -3.361
  430   HG11  VAL  58          HG11      VAL  58  -6.302   7.381  -4.786
  431   HG12  VAL  58          HG12      VAL  58  -7.078   8.119  -3.385
  432   HG13  VAL  58          HG13      VAL  58  -7.864   8.180  -4.963
  433   HG21  VAL  58          HG21      VAL  58  -9.053   7.064  -2.357
  434   HG22  VAL  58          HG22      VAL  58  -9.737   5.591  -3.049
  435   HG23  VAL  58          HG23      VAL  58  -9.905   7.127  -3.899
  436    H    ASN  59           HN       ASN  59 -10.485   4.440  -5.699
  437    HA   ASN  59           HA       ASN  59 -12.350   4.908  -6.901
  438    HB2  ASN  59           HB2      ASN  59 -11.531   7.694  -6.100
  439    HB3  ASN  59           HB1      ASN  59 -13.001   7.378  -7.009
  440   HD21  ASN  59          HD21      ASN  59 -14.347   8.092  -5.398
  441   HD22  ASN  59          HD22      ASN  59 -14.590   7.222  -3.924
  442    H    GLY  60           HN       GLY  60  -9.903   4.551  -8.324
  443    HA2  GLY  60           HA2      GLY  60  -9.410   4.468 -10.588
  444    HA3  GLY  60           HA1      GLY  60 -10.762   5.553 -10.891
  445    H    GLU  61           HN       GLU  61  -8.850   6.878  -8.496
  446    HA   GLU  61           HA       GLU  61  -7.372   8.472 -10.482
  447    HB2  GLU  61           HB2      GLU  61  -9.178   9.756  -9.410
  448    HB3  GLU  61           HB1      GLU  61  -8.496   9.389  -7.828
  449    HG2  GLU  61           HG2      GLU  61  -6.477  10.613  -8.401
  450    HG3  GLU  61           HG1      GLU  61  -7.134  10.966 -10.002
  451    H    LYS  62           HN       LYS  62  -5.229   8.614 -10.243
  452    HA   LYS  62           HA       LYS  62  -3.931   7.052  -8.225
  453    HB2  LYS  62           HB2      LYS  62  -3.075   7.246 -10.536
  454    HB3  LYS  62           HB1      LYS  62  -2.751   8.954 -10.256
  455    HG2  LYS  62           HG2      LYS  62  -1.110   8.398  -8.566
  456    HG3  LYS  62           HG1      LYS  62  -1.483   6.678  -8.743
  457    HD2  LYS  62           HD2      LYS  62   0.532   7.195  -9.967
  458    HD3  LYS  62           HD1      LYS  62  -0.759   6.803 -11.102
  459    HE2  LYS  62           HE2      LYS  62  -1.146   9.203 -11.461
  460    HE3  LYS  62           HE1      LYS  62   0.178   9.571 -10.358
  461    HZ1  LYS  62           HZ1      LYS  62   0.917   9.680 -12.635
  462    HZ2  LYS  62           HZ2      LYS  62   0.403   8.096 -12.923
  463    HZ3  LYS  62           HZ3      LYS  62   1.678   8.388 -11.854
  464    H    VAL  63           HN       VAL  63  -3.338   7.697  -6.271
  465    HA   VAL  63           HA       VAL  63  -3.356  10.571  -5.689
  466    HB   VAL  63           HB       VAL  63  -4.813   9.459  -4.196
  467   HG11  VAL  63          HG11      VAL  63  -2.601   7.491  -3.641
  468   HG12  VAL  63          HG12      VAL  63  -4.064   7.175  -4.573
  469   HG13  VAL  63          HG13      VAL  63  -4.175   7.522  -2.848
  470   HG21  VAL  63          HG21      VAL  63  -2.203   9.820  -2.729
  471   HG22  VAL  63          HG22      VAL  63  -3.808   9.787  -1.998
  472   HG23  VAL  63          HG23      VAL  63  -3.366  11.096  -3.095
  473    H    TYR  64           HN       TYR  64  -1.323   7.674  -5.298
  474    HA   TYR  64           HA       TYR  64   0.994   9.422  -5.044
  475    HB2  TYR  64           HB2      TYR  64   0.119   8.992  -2.742
  476    HB3  TYR  64           HB1      TYR  64   0.385   7.271  -3.008
  477    HD1  TYR  64           HD1      TYR  64   2.456   6.317  -2.536
  478    HD2  TYR  64           HD2      TYR  64   2.148  10.542  -2.868
  479    HE1  TYR  64           HE1      TYR  64   4.744   6.541  -1.685
  480    HE2  TYR  64           HE2      TYR  64   4.448  10.782  -2.032
  481    HH   TYR  64           HH       TYR  64   6.616   8.246  -1.867
  482    H    THR  65           HN       THR  65   2.937   8.464  -5.629
  483    HA   THR  65           HA       THR  65   2.881   5.671  -6.559
  484    HB   THR  65           HB       THR  65   3.968   8.035  -8.132
  485    HG1  THR  65           HG1      THR  65   1.709   7.913  -8.256
  486   HG21  THR  65          HG21      THR  65   5.318   6.049  -8.505
  487   HG22  THR  65          HG22      THR  65   4.348   6.403  -9.934
  488   HG23  THR  65          HG23      THR  65   3.869   5.103  -8.842
  489    H    PHE  66           HN       PHE  66   5.006   4.625  -6.377
  490    HA   PHE  66           HA       PHE  66   7.272   6.182  -5.537
  491    HB2  PHE  66           HB2      PHE  66   7.513   5.297  -3.297
  492    HB3  PHE  66           HB1      PHE  66   5.974   6.134  -3.460
  493    HD1  PHE  66           HD1      PHE  66   3.877   4.898  -3.387
  494    HD2  PHE  66           HD2      PHE  66   7.616   2.914  -2.946
  495    HE1  PHE  66           HE1      PHE  66   2.727   2.923  -2.477
  496    HE2  PHE  66           HE2      PHE  66   6.471   0.935  -2.044
  497    HZ   PHE  66           HZ       PHE  66   4.021   0.944  -1.803
  498    H    ASN  67           HN       ASN  67   8.824   4.440  -4.279
  499    HA   ASN  67           HA       ASN  67   9.091   2.090  -6.047
  500    HB2  ASN  67           HB2      ASN  67  10.636   4.018  -6.599
  501    HB3  ASN  67           HB1      ASN  67  11.332   3.842  -4.992
  502   HD21  ASN  67          HD21      ASN  67  12.600   3.659  -7.540
  503   HD22  ASN  67          HD22      ASN  67  13.303   2.087  -7.648
  504    H    GLU  68           HN       GLU  68   9.758   0.178  -4.963
  505    HA   GLU  68           HA       GLU  68   9.347   0.247  -2.118
  506    HB2  GLU  68           HB2      GLU  68   9.969  -2.043  -3.967
  507    HB3  GLU  68           HB1      GLU  68   9.867  -2.226  -2.228
  508    HG2  GLU  68           HG2      GLU  68   7.555  -1.346  -2.302
  509    HG3  GLU  68           HG1      GLU  68   7.657  -1.368  -4.060
  510    H    LYS  69           HN       LYS  69  12.160   0.568  -4.024
  511    HA   LYS  69           HA       LYS  69  13.886  -0.498  -1.955
  512    HB2  LYS  69           HB2      LYS  69  15.750   0.347  -3.263
  513    HB3  LYS  69           HB1      LYS  69  14.639  -0.537  -4.298
  514    HG2  LYS  69           HG2      LYS  69  13.650   1.666  -4.944
  515    HG3  LYS  69           HG1      LYS  69  14.982   2.433  -4.088
  516    HD2  LYS  69           HD2      LYS  69  15.796   0.332  -5.969
  517    HD3  LYS  69           HD1      LYS  69  15.066   1.750  -6.722
  518    HE2  LYS  69           HE2      LYS  69  17.450   2.059  -6.611
  519    HE3  LYS  69           HE1      LYS  69  16.678   3.174  -5.487
  520    HZ1  LYS  69           HZ1      LYS  69  17.916   0.584  -4.730
  521    HZ2  LYS  69           HZ2      LYS  69  17.249   1.721  -3.666
  522    HZ3  LYS  69           HZ3      LYS  69  18.642   2.099  -4.543
  523    H    SER  70           HN       SER  70  12.065   2.240  -2.386
  524    HA   SER  70           HA       SER  70  13.641   3.989  -0.757
  525    HB2  SER  70           HB2      SER  70  10.664   4.088  -1.333
  526    HB3  SER  70           HB1      SER  70  11.668   5.416  -0.743
  527    HG   SER  70           HG       SER  70  12.889   4.801  -2.856
  528    H    THR  71           HN       THR  71  12.681   4.665   1.479
  529    HA   THR  71           HA       THR  71  12.428   2.254   2.985
  530    HB   THR  71           HB       THR  71  12.225   3.838   4.945
  531    HG1  THR  71           HG1      THR  71  13.096   5.948   3.331
  532   HG21  THR  71          HG21      THR  71  14.385   2.919   4.276
  533   HG22  THR  71          HG22      THR  71  14.566   4.581   4.835
  534   HG23  THR  71          HG23      THR  71  14.593   4.224   3.109
  535    H    VAL  72           HN       VAL  72  10.603   1.223   3.174
  536    HA   VAL  72           HA       VAL  72   8.138   2.131   2.292
  537    HB   VAL  72           HB       VAL  72   8.487  -0.069   4.336
  538   HG11  VAL  72          HG11      VAL  72   6.589  -1.081   3.259
  539   HG12  VAL  72          HG12      VAL  72   6.531   0.216   2.064
  540   HG13  VAL  72          HG13      VAL  72   6.179   0.562   3.760
  541   HG21  VAL  72          HG21      VAL  72   8.941  -0.183   1.359
  542   HG22  VAL  72          HG22      VAL  72   8.807  -1.591   2.411
  543   HG23  VAL  72          HG23      VAL  72  10.133  -0.452   2.629
  544    H    GLY  73           HN       GLY  73   9.756   2.844   5.189
  545    HA2  GLY  73           HA2      GLY  73   7.367   3.236   6.799
  546    HA3  GLY  73           HA1      GLY  73   9.021   3.663   7.253
  547    H    ASN  74           HN       ASN  74   9.670   5.347   5.082
  548    HA   ASN  74           HA       ASN  74   8.199   7.713   5.779
  549    HB2  ASN  74           HB2      ASN  74  10.317   7.156   3.696
  550    HB3  ASN  74           HB1      ASN  74   9.528   8.723   3.833
  551   HD21  ASN  74          HD21      ASN  74  11.837   6.554   5.182
  552   HD22  ASN  74          HD22      ASN  74  12.440   7.629   6.406
  553    H    ILE  75           HN       ILE  75   8.200   5.361   3.235
  554    HA   ILE  75           HA       ILE  75   6.527   6.696   1.406
  555    HB   ILE  75           HB       ILE  75   6.994   3.756   1.867
  556   HG12  ILE  75          HG12      ILE  75   8.989   4.981   1.157
  557   HG13  ILE  75          HG11      ILE  75   8.421   3.925  -0.135
  558   HG21  ILE  75          HG21      ILE  75   4.841   4.110   0.793
  559   HG22  ILE  75          HG22      ILE  75   6.000   3.377  -0.314
  560   HG23  ILE  75          HG23      ILE  75   5.619   5.090  -0.449
  561   HD11  ILE  75          HD11      ILE  75   9.106   6.030  -1.053
  562   HD12  ILE  75          HD12      ILE  75   8.051   6.904   0.053
  563   HD13  ILE  75          HD13      ILE  75   7.355   5.879  -1.202
  564    H    SER  76           HN       SER  76   5.725   4.092   3.724
  565    HA   SER  76           HA       SER  76   3.029   4.042   2.962
  566    HB2  SER  76           HB2      SER  76   2.693   2.584   4.928
  567    HB3  SER  76           HB1      SER  76   4.048   2.080   3.911
  568    HG   SER  76           HG       SER  76   5.453   2.716   5.424
  569    H    ASN  77           HN       ASN  77   4.483   5.207   5.946
  570    HA   ASN  77           HA       ASN  77   1.949   5.949   6.947
  571    HB2  ASN  77           HB2      ASN  77   4.678   6.053   7.948
  572    HB3  ASN  77           HB1      ASN  77   3.646   7.352   8.557
  573   HD21  ASN  77          HD21      ASN  77   1.182   5.896   8.474
  574   HD22  ASN  77          HD22      ASN  77   1.243   4.673   9.701
  575    H    ASP  78           HN       ASP  78   4.113   7.730   4.880
  576    HA   ASP  78           HA       ASP  78   2.895  10.266   5.276
  577    HB2  ASP  78           HB2      ASP  78   4.316   8.981   2.996
  578    HB3  ASP  78           HB1      ASP  78   3.320  10.390   2.656
  579    H    ILE  79           HN       ILE  79   2.148   7.570   3.125
  580    HA   ILE  79           HA       ILE  79  -0.210   8.501   1.961
  581    HB   ILE  79           HB       ILE  79   0.400   5.657   2.799
  582   HG12  ILE  79          HG12      ILE  79   0.979   6.960   0.134
  583   HG13  ILE  79          HG11      ILE  79   2.187   6.724   1.399
  584   HG21  ILE  79          HG21      ILE  79  -1.918   5.940   2.201
  585   HG22  ILE  79          HG22      ILE  79  -1.086   5.032   0.938
  586   HG23  ILE  79          HG23      ILE  79  -1.465   6.738   0.693
  587   HD11  ILE  79          HD11      ILE  79   1.697   4.275   1.279
  588   HD12  ILE  79          HD12      ILE  79   2.433   4.960  -0.166
  589   HD13  ILE  79          HD13      ILE  79   0.705   4.609  -0.141
  590    H    ASN  80           HN       ASN  80   0.470   7.255   5.120
  591    HA   ASN  80           HA       ASN  80  -2.324   6.814   5.675
  592    HB2  ASN  80           HB2      ASN  80   0.006   6.469   7.562
  593    HB3  ASN  80           HB1      ASN  80  -1.604   5.791   7.742
  594   HD21  ASN  80          HD21      ASN  80   1.039   4.495   7.631
  595   HD22  ASN  80          HD22      ASN  80   0.954   3.364   6.323
  596    H    LYS  81           HN       LYS  81   0.038   9.266   6.206
  597    HA   LYS  81           HA       LYS  81  -1.284  10.693   8.253
  598    HB2  LYS  81           HB2      LYS  81   0.185  11.825   5.852
  599    HB3  LYS  81           HB1      LYS  81  -0.204  12.698   7.328
  600    HG2  LYS  81           HG2      LYS  81   1.649  10.338   7.133
  601    HG3  LYS  81           HG1      LYS  81   2.140  12.028   7.231
  602    HD2  LYS  81           HD2      LYS  81   1.116  12.219   9.427
  603    HD3  LYS  81           HD1      LYS  81   0.550  10.551   9.325
  604    HE2  LYS  81           HE2      LYS  81   2.595  10.798  10.686
  605    HE3  LYS  81           HE1      LYS  81   2.812   9.730   9.301
  606    HZ1  LYS  81           HZ1      LYS  81   3.620  12.587   9.354
  607    HZ2  LYS  81           HZ2      LYS  81   3.941  11.465   8.129
  608    HZ3  LYS  81           HZ3      LYS  81   4.667  11.292   9.642
  609    H    LEU  82           HN       LEU  82  -1.688  10.393   4.831
  610    HA   LEU  82           HA       LEU  82  -3.461  12.452   4.269
  611    HB2  LEU  82           HB2      LEU  82  -3.639   9.760   2.949
  612    HB3  LEU  82           HB1      LEU  82  -3.869  11.349   2.238
  613    HG   LEU  82           HG       LEU  82  -1.219  10.119   3.079
  614   HD11  LEU  82          HD11      LEU  82  -2.138   9.182   1.024
  615   HD12  LEU  82          HD12      LEU  82  -0.754  10.214   0.664
  616   HD13  LEU  82          HD13      LEU  82  -2.390  10.799   0.367
  617   HD21  LEU  82          HD21      LEU  82  -0.222  12.136   2.096
  618   HD22  LEU  82          HD22      LEU  82  -1.249  12.542   3.470
  619   HD23  LEU  82          HD23      LEU  82  -1.825  12.815   1.824
  620    H    ASN  83           HN       ASN  83  -4.004   9.388   5.831
  621    HA   ASN  83           HA       ASN  83  -5.889   8.053   6.044
  622    HB2  ASN  83           HB2      ASN  83  -6.690  10.727   7.172
  623    HB3  ASN  83           HB1      ASN  83  -7.690   9.288   7.342
  624   HD21  ASN  83          HD21      ASN  83  -5.314   7.516   7.566
  625   HD22  ASN  83          HD22      ASN  83  -4.702   7.782   9.164
  626    H    ILE  84           HN       ILE  84  -6.114   7.798   3.801
  627    HA   ILE  84           HA       ILE  84  -7.361   9.498   2.029
  628    HB   ILE  84           HB       ILE  84  -7.441   6.494   1.826
  629   HG12  ILE  84          HG12      ILE  84  -5.204   8.426   1.197
  630   HG13  ILE  84          HG11      ILE  84  -5.195   7.143   2.421
  631   HG21  ILE  84          HG21      ILE  84  -8.723   7.772   0.139
  632   HG22  ILE  84          HG22      ILE  84  -7.376   6.876  -0.559
  633   HG23  ILE  84          HG23      ILE  84  -7.240   8.615  -0.309
  634   HD11  ILE  84          HD11      ILE  84  -5.410   6.702  -0.554
  635   HD12  ILE  84          HD12      ILE  84  -5.288   5.459   0.691
  636   HD13  ILE  84          HD13      ILE  84  -3.930   6.545   0.395
  637    H    LYS  85           HN       LYS  85  -9.346   9.818   1.314
  638    HA   LYS  85           HA       LYS  85 -11.588   8.881   2.901
  639    HB2  LYS  85           HB2      LYS  85 -12.891  10.465   1.494
  640    HB3  LYS  85           HB1      LYS  85 -11.502  11.225   2.269
  641    HG2  LYS  85           HG2      LYS  85 -10.412  10.425  -0.122
  642    HG3  LYS  85           HG1      LYS  85 -12.071  10.842  -0.578
  643    HD2  LYS  85           HD2      LYS  85 -10.644  12.781  -0.809
  644    HD3  LYS  85           HD1      LYS  85 -11.787  13.040   0.510
  645    HE2  LYS  85           HE2      LYS  85 -10.102  12.563   2.147
  646    HE3  LYS  85           HE1      LYS  85  -8.960  12.060   0.904
  647    HZ1  LYS  85           HZ1      LYS  85  -9.010  14.354   0.054
  648    HZ2  LYS  85           HZ2      LYS  85  -8.434  14.263   1.638
  649    HZ3  LYS  85           HZ3      LYS  85 -10.010  14.804   1.342
  650    H    GLY  86           HN       GLY  86 -10.078   7.020   1.242
  651    HA2  GLY  86           HA2      GLY  86 -11.764   6.496  -1.072
  652    HA3  GLY  86           HA1      GLY  86 -10.211   5.759  -0.725
  653    HA   PRO  87           HA       PRO  87 -13.720   3.152   1.218
  654    HB2  PRO  87           HB2      PRO  87 -15.562   2.503  -0.609
  655    HB3  PRO  87           HB1      PRO  87 -15.686   4.021   0.298
  656    HG2  PRO  87           HG2      PRO  87 -14.579   3.550  -2.457
  657    HG3  PRO  87           HG1      PRO  87 -15.751   4.784  -1.930
  658    HD2  PRO  87           HD2      PRO  87 -13.104   5.310  -2.223
  659    HD3  PRO  87           HD1      PRO  87 -14.104   6.117  -0.994
  660    H    TYR  88           HN       TYR  88 -12.849   2.939  -2.232
  661    HA   TYR  88           HA       TYR  88 -11.690   0.328  -1.655
  662    HB2  TYR  88           HB2      TYR  88 -12.206  -0.206  -4.138
  663    HB3  TYR  88           HB1      TYR  88 -13.493  -0.361  -2.946
  664    HD1  TYR  88           HD1      TYR  88 -15.491   0.865  -3.167
  665    HD2  TYR  88           HD2      TYR  88 -12.152   1.859  -5.607
  666    HE1  TYR  88           HE1      TYR  88 -16.924   2.325  -4.529
  667    HE2  TYR  88           HE2      TYR  88 -13.575   3.322  -6.970
  668    HH   TYR  88           HH       TYR  88 -16.690   4.275  -6.019
  669    H    ILE  89           HN       ILE  89  -9.591   0.253  -2.033
  670    HA   ILE  89           HA       ILE  89  -8.431   2.373  -3.715
  671    HB   ILE  89           HB       ILE  89  -7.443   1.436  -1.019
  672   HG12  ILE  89          HG12      ILE  89  -8.491   4.107  -1.965
  673   HG13  ILE  89          HG11      ILE  89  -9.374   2.964  -0.953
  674   HG21  ILE  89          HG21      ILE  89  -6.246   3.456  -2.912
  675   HG22  ILE  89          HG22      ILE  89  -5.575   1.872  -2.525
  676   HG23  ILE  89          HG23      ILE  89  -5.679   3.114  -1.277
  677   HD11  ILE  89          HD11      ILE  89  -7.714   3.240   0.811
  678   HD12  ILE  89          HD12      ILE  89  -8.453   4.778   0.367
  679   HD13  ILE  89          HD13      ILE  89  -6.830   4.383  -0.199
  680    H    GLU  90           HN       GLU  90  -7.024   1.725  -5.169
  681    HA   GLU  90           HA       GLU  90  -6.102  -1.039  -5.162
  682    HB2  GLU  90           HB2      GLU  90  -5.756   1.161  -7.189
  683    HB3  GLU  90           HB1      GLU  90  -5.280  -0.516  -7.414
  684    HG2  GLU  90           HG2      GLU  90  -8.105   0.324  -6.841
  685    HG3  GLU  90           HG1      GLU  90  -7.458   0.201  -8.478
  686    H    ILE  91           HN       ILE  91  -4.505  -1.151  -3.669
  687    HA   ILE  91           HA       ILE  91  -2.228   0.650  -4.040
  688    HB   ILE  91           HB       ILE  91  -3.336   0.479  -1.770
  689   HG12  ILE  91          HG12      ILE  91  -0.427  -0.321  -1.811
  690   HG13  ILE  91          HG11      ILE  91  -1.024   1.310  -2.064
  691   HG21  ILE  91          HG21      ILE  91  -3.777  -1.916  -1.778
  692   HG22  ILE  91          HG22      ILE  91  -2.863  -1.419  -0.354
  693   HG23  ILE  91          HG23      ILE  91  -2.041  -2.232  -1.690
  694   HD11  ILE  91          HD11      ILE  91  -0.218   1.012   0.199
  695   HD12  ILE  91          HD12      ILE  91  -1.344  -0.323   0.437
  696   HD13  ILE  91          HD13      ILE  91  -1.956   1.310   0.190
  697    H    LYS  92           HN       LYS  92  -0.965  -0.195  -5.588
  698    HA   LYS  92           HA       LYS  92   0.150  -2.832  -5.397
  699    HB2  LYS  92           HB2      LYS  92  -0.850  -3.650  -7.537
  700    HB3  LYS  92           HB1      LYS  92  -2.015  -3.503  -6.227
  701    HG2  LYS  92           HG2      LYS  92  -3.251  -2.492  -7.821
  702    HG3  LYS  92           HG1      LYS  92  -2.301  -1.082  -7.345
  703    HD2  LYS  92           HD2      LYS  92  -2.348  -1.254  -9.753
  704    HD3  LYS  92           HD1      LYS  92  -0.713  -1.568  -9.170
  705    HE2  LYS  92           HE2      LYS  92  -1.147  -3.995  -9.366
  706    HE3  LYS  92           HE1      LYS  92  -2.747  -3.635 -10.017
  707    HZ1  LYS  92           HZ1      LYS  92  -1.167  -4.092 -11.776
  708    HZ2  LYS  92           HZ2      LYS  92  -0.155  -2.850 -11.234
  709    HZ3  LYS  92           HZ3      LYS  92  -1.684  -2.482 -11.862
  710    H    GLN  93           HN       GLN  93   1.706  -3.237  -7.168
  711    HA   GLN  93           HA       GLN  93   2.771  -0.712  -8.076
  712    HB2  GLN  93           HB2      GLN  93   4.456  -2.555  -9.167
  713    HB3  GLN  93           HB1      GLN  93   4.657  -1.771  -7.603
  714    HG2  GLN  93           HG2      GLN  93   3.623  -3.664  -6.499
  715    HG3  GLN  93           HG1      GLN  93   3.307  -4.430  -8.058
  716   HE21  GLN  93          HE21      GLN  93   6.256  -2.685  -7.467
  717   HE22  GLN  93          HE22      GLN  93   7.296  -4.066  -7.411
  718    H    ILE  94           HN       ILE  94   3.626  -0.525 -10.290
  719    HA   ILE  94           HA       ILE  94   1.273  -0.960 -11.967
  720    HB   ILE  94           HB       ILE  94   2.389   0.953 -13.309
  721   HG12  ILE  94          HG12      ILE  94   3.907   1.037 -10.694
  722   HG13  ILE  94          HG11      ILE  94   4.576   0.952 -12.319
  723   HG21  ILE  94          HG21      ILE  94   1.300   1.406 -10.538
  724   HG22  ILE  94          HG22      ILE  94   0.349   1.183 -12.007
  725   HG23  ILE  94          HG23      ILE  94   1.368   2.611 -11.823
  726   HD11  ILE  94          HD11      ILE  94   3.806   3.218 -12.752
  727   HD12  ILE  94          HD12      ILE  94   4.853   3.149 -11.333
  728   HD13  ILE  94          HD13      ILE  94   3.107   3.290 -11.133
  Start of MODEL    8
    1    H    ASP   1           HT1      ASP   1 -21.265 -12.044  -6.526
    2    HA   ASP   1           HA       ASP   1 -20.741  -9.737  -6.883
    3    HB2  ASP   1           HB2      ASP   1 -20.393  -9.096  -4.538
    4    HB3  ASP   1           HB1      ASP   1 -21.523 -10.441  -4.655
    5    H    ASN   2           HN       ASN   2 -19.234  -8.035  -6.832
    6    HA   ASN   2           HA       ASN   2 -16.407  -8.840  -6.719
    7    HB2  ASN   2           HB2      ASN   2 -17.908  -7.060  -8.573
    8    HB3  ASN   2           HB1      ASN   2 -16.256  -6.630  -8.157
    9   HD21  ASN   2          HD21      ASN   2 -17.309  -9.954  -8.366
   10   HD22  ASN   2          HD22      ASN   2 -16.421 -10.334  -9.799
   11    H    GLN   3           HN       GLN   3 -15.198  -7.850  -5.225
   12    HA   GLN   3           HA       GLN   3 -16.220  -5.850  -3.501
   13    HB2  GLN   3           HB2      GLN   3 -13.389  -6.748  -4.053
   14    HB3  GLN   3           HB1      GLN   3 -13.790  -5.534  -2.852
   15    HG2  GLN   3           HG2      GLN   3 -13.659  -7.381  -1.543
   16    HG3  GLN   3           HG1      GLN   3 -15.373  -7.394  -1.932
   17   HE21  GLN   3          HE21      GLN   3 -13.615  -9.579  -1.136
   18   HE22  GLN   3          HE22      GLN   3 -13.722 -10.764  -2.384
   19    H    LYS   4           HN       LYS   4 -15.065  -5.851  -6.610
   20    HA   LYS   4           HA       LYS   4 -14.184  -3.427  -7.346
   21    HB2  LYS   4           HB2      LYS   4 -14.917  -5.311  -8.804
   22    HB3  LYS   4           HB1      LYS   4 -16.590  -4.864  -8.492
   23    HG2  LYS   4           HG2      LYS   4 -16.276  -2.739  -9.603
   24    HG3  LYS   4           HG1      LYS   4 -14.560  -3.076  -9.833
   25    HD2  LYS   4           HD2      LYS   4 -16.593  -4.990 -10.899
   26    HD3  LYS   4           HD1      LYS   4 -16.273  -3.493 -11.772
   27    HE2  LYS   4           HE2      LYS   4 -14.906  -5.266 -12.675
   28    HE3  LYS   4           HE1      LYS   4 -13.882  -4.086 -11.864
   29    HZ1  LYS   4           HZ1      LYS   4 -13.267  -6.407 -11.405
   30    HZ2  LYS   4           HZ2      LYS   4 -14.763  -6.656 -10.660
   31    HZ3  LYS   4           HZ3      LYS   4 -13.659  -5.553 -10.000
   32    H    ALA   5           HN       ALA   5 -17.526  -4.175  -6.391
   33    HA   ALA   5           HA       ALA   5 -18.280  -1.366  -6.551
   34    HB1  ALA   5           HB1      ALA   5 -19.924  -3.786  -5.811
   35    HB2  ALA   5           HB2      ALA   5 -19.831  -3.051  -7.411
   36    HB3  ALA   5           HB3      ALA   5 -20.541  -2.153  -6.070
   37    H    LEU   6           HN       LEU   6 -17.050  -3.533  -4.300
   38    HA   LEU   6           HA       LEU   6 -18.247  -2.233  -1.990
   39    HB2  LEU   6           HB2      LEU   6 -16.300  -4.534  -2.126
   40    HB3  LEU   6           HB1      LEU   6 -17.109  -3.957  -0.679
   41    HG   LEU   6           HG       LEU   6 -18.493  -5.171  -3.072
   42   HD11  LEU   6          HD11      LEU   6 -17.213  -6.832  -1.865
   43   HD12  LEU   6          HD12      LEU   6 -18.936  -7.057  -1.573
   44   HD13  LEU   6          HD13      LEU   6 -17.924  -6.304  -0.340
   45   HD21  LEU   6          HD21      LEU   6 -19.896  -3.546  -1.946
   46   HD22  LEU   6          HD22      LEU   6 -19.554  -4.299  -0.389
   47   HD23  LEU   6          HD23      LEU   6 -20.468  -5.180  -1.613
   48    H    GLU   7           HN       GLU   7 -15.845  -2.749  -0.329
   49    HA   GLU   7           HA       GLU   7 -14.468  -0.286  -1.100
   50    HB2  GLU   7           HB2      GLU   7 -14.730  -1.677   1.556
   51    HB3  GLU   7           HB1      GLU   7 -13.653  -0.319   1.292
   52    HG2  GLU   7           HG2      GLU   7 -15.666   0.476   2.298
   53    HG3  GLU   7           HG1      GLU   7 -15.600   1.055   0.637
   54    H    GLU   8           HN       GLU   8 -13.922  -3.643  -1.057
   55    HA   GLU   8           HA       GLU   8 -12.116  -4.880  -1.699
   56    HB2  GLU   8           HB2      GLU   8 -10.962  -2.145  -2.216
   57    HB3  GLU   8           HB1      GLU   8  -9.983  -3.593  -2.390
   58    HG2  GLU   8           HG2      GLU   8 -12.603  -3.398  -3.806
   59    HG3  GLU   8           HG1      GLU   8 -11.188  -2.567  -4.451
   60    H    GLN   9           HN       GLN   9 -12.621  -3.697   1.017
   61    HA   GLN   9           HA       GLN   9 -10.147  -3.469   2.394
   62    HB2  GLN   9           HB2      GLN   9 -12.963  -4.011   3.313
   63    HB3  GLN   9           HB1      GLN   9 -11.617  -3.819   4.425
   64    HG2  GLN   9           HG2      GLN   9 -11.358  -1.571   3.932
   65    HG3  GLN   9           HG1      GLN   9 -12.216  -1.708   2.398
   66   HE21  GLN   9          HE21      GLN   9 -14.442  -3.157   3.317
   67   HE22  GLN   9          HE22      GLN   9 -15.382  -2.120   4.335
   68    H    MET  10           HN       MET  10 -11.522  -6.137   1.008
   69    HA   MET  10           HA       MET  10 -11.033  -8.054   3.102
   70    HB2  MET  10           HB2      MET  10 -11.784  -8.448   0.202
   71    HB3  MET  10           HB1      MET  10 -11.717  -9.725   1.404
   72    HG2  MET  10           HG2      MET  10 -13.973  -9.182   1.205
   73    HG3  MET  10           HG1      MET  10 -13.445  -8.401   2.695
   74    HE1  MET  10           HE1      MET  10 -16.203  -6.058   1.072
   75    HE2  MET  10           HE2      MET  10 -15.748  -6.910   2.545
   76    HE3  MET  10           HE3      MET  10 -16.104  -7.818   1.075
   77    H    ASN  11           HN       ASN  11 -10.151 -10.019   0.924
   78    HA   ASN  11           HA       ASN  11  -7.436 -10.103   1.660
   79    HB2  ASN  11           HB2      ASN  11  -8.918 -11.522  -0.558
   80    HB3  ASN  11           HB1      ASN  11  -7.258 -11.882  -0.101
   81   HD21  ASN  11          HD21      ASN  11 -10.594 -12.113   0.798
   82   HD22  ASN  11          HD22      ASN  11 -10.375 -13.220   2.107
   83    H    SER  12           HN       SER  12  -8.932  -8.146  -0.583
   84    HA   SER  12           HA       SER  12  -7.375  -8.070  -2.824
   85    HB2  SER  12           HB2      SER  12  -8.348  -5.573  -1.448
   86    HB3  SER  12           HB1      SER  12  -8.250  -5.905  -3.181
   87    HG   SER  12           HG       SER  12 -10.305  -6.371  -2.880
   88    H    ILE  13           HN       ILE  13  -6.841  -5.944   0.013
   89    HA   ILE  13           HA       ILE  13  -4.187  -5.329  -0.968
   90    HB   ILE  13           HB       ILE  13  -3.962  -3.725   0.757
   91   HG12  ILE  13          HG12      ILE  13  -4.816  -5.081   2.644
   92   HG13  ILE  13          HG11      ILE  13  -5.488  -3.455   2.631
   93   HG21  ILE  13          HG21      ILE  13  -6.806  -3.714  -0.228
   94   HG22  ILE  13          HG22      ILE  13  -5.399  -3.024  -1.038
   95   HG23  ILE  13          HG23      ILE  13  -5.968  -2.333   0.482
   96   HD11  ILE  13          HD11      ILE  13  -7.175  -5.075   3.203
   97   HD12  ILE  13          HD12      ILE  13  -6.861  -5.960   1.710
   98   HD13  ILE  13          HD13      ILE  13  -7.545  -4.336   1.645
   99    H    ASN  14           HN       ASN  14  -5.583  -7.609   1.163
  100    HA   ASN  14           HA       ASN  14  -3.316  -7.969   2.865
  101    HB2  ASN  14           HB2      ASN  14  -5.582  -9.842   2.246
  102    HB3  ASN  14           HB1      ASN  14  -4.393 -10.103   3.507
  103   HD21  ASN  14          HD21      ASN  14  -7.258  -9.869   3.777
  104   HD22  ASN  14          HD22      ASN  14  -7.550  -8.516   4.810
  105    H    SER  15           HN       SER  15  -4.481  -9.564  -0.085
  106    HA   SER  15           HA       SER  15  -2.338 -11.390  -0.318
  107    HB2  SER  15           HB2      SER  15  -3.985 -10.063  -2.489
  108    HB3  SER  15           HB1      SER  15  -2.939 -11.464  -2.720
  109    HG   SER  15           HG       SER  15  -4.584 -11.927  -0.658
  110    H    VAL  16           HN       VAL  16  -2.720  -8.022  -1.087
  111    HA   VAL  16           HA       VAL  16  -0.211  -7.652  -2.339
  112    HB   VAL  16           HB       VAL  16  -1.958  -5.698  -0.812
  113   HG11  VAL  16          HG11      VAL  16   0.360  -4.917  -0.858
  114   HG12  VAL  16          HG12      VAL  16  -0.650  -3.939  -1.921
  115   HG13  VAL  16          HG13      VAL  16   0.420  -5.161  -2.604
  116   HG21  VAL  16          HG21      VAL  16  -2.583  -4.923  -3.058
  117   HG22  VAL  16          HG22      VAL  16  -3.015  -6.613  -2.799
  118   HG23  VAL  16          HG23      VAL  16  -1.597  -6.202  -3.766
  119    H    ASN  17           HN       ASN  17  -1.324  -7.631   1.042
  120    HA   ASN  17           HA       ASN  17   1.083  -6.792   2.239
  121    HB2  ASN  17           HB2      ASN  17  -1.021  -8.728   3.241
  122    HB3  ASN  17           HB1      ASN  17   0.321  -8.158   4.224
  123   HD21  ASN  17          HD21      ASN  17  -2.523  -7.851   4.632
  124   HD22  ASN  17          HD22      ASN  17  -2.819  -6.142   4.708
  125    H    ASP  18           HN       ASP  18  -0.098  -9.988   1.307
  126    HA   ASP  18           HA       ASP  18   2.039 -11.526   2.253
  127    HB2  ASP  18           HB2      ASP  18   0.178 -12.026  -0.081
  128    HB3  ASP  18           HB1      ASP  18   1.295 -13.226   0.566
  129    H    LYS  19           HN       LYS  19   1.707  -9.620  -0.646
  130    HA   LYS  19           HA       LYS  19   3.988 -10.901  -1.909
  131    HB2  LYS  19           HB2      LYS  19   2.102  -8.724  -2.783
  132    HB3  LYS  19           HB1      LYS  19   3.523  -9.173  -3.719
  133    HG2  LYS  19           HG2      LYS  19   2.645 -11.487  -3.845
  134    HG3  LYS  19           HG1      LYS  19   1.182 -10.933  -3.021
  135    HD2  LYS  19           HD2      LYS  19   0.811 -11.006  -5.417
  136    HD3  LYS  19           HD1      LYS  19   0.786  -9.336  -4.852
  137    HE2  LYS  19           HE2      LYS  19   3.081  -9.030  -5.616
  138    HE3  LYS  19           HE1      LYS  19   3.142 -10.710  -6.144
  139    HZ1  LYS  19           HZ1      LYS  19   1.408 -10.237  -7.742
  140    HZ2  LYS  19           HZ2      LYS  19   2.718  -9.197  -7.978
  141    HZ3  LYS  19           HZ3      LYS  19   1.317  -8.633  -7.220
  142    H    LEU  20           HN       LEU  20   3.182  -7.948  -0.247
  143    HA   LEU  20           HA       LEU  20   5.697  -6.687  -0.864
  144    HB2  LEU  20           HB2      LEU  20   3.472  -5.986   1.035
  145    HB3  LEU  20           HB1      LEU  20   4.903  -4.989   0.810
  146    HG   LEU  20           HG       LEU  20   2.775  -5.615  -1.244
  147   HD11  LEU  20          HD11      LEU  20   2.285  -3.881   0.480
  148   HD12  LEU  20          HD12      LEU  20   2.293  -3.286  -1.178
  149   HD13  LEU  20          HD13      LEU  20   3.670  -2.970  -0.125
  150   HD21  LEU  20          HD21      LEU  20   4.930  -5.640  -2.343
  151   HD22  LEU  20          HD22      LEU  20   5.378  -4.121  -1.567
  152   HD23  LEU  20          HD23      LEU  20   4.075  -4.156  -2.752
  153    H    ASN  21           HN       ASN  21   4.322  -8.544   1.766
  154    HA   ASN  21           HA       ASN  21   6.692  -8.263   3.401
  155    HB2  ASN  21           HB2      ASN  21   4.160  -9.886   3.627
  156    HB3  ASN  21           HB1      ASN  21   5.528 -10.188   4.697
  157   HD21  ASN  21          HD21      ASN  21   2.996  -7.925   3.822
  158   HD22  ASN  21          HD22      ASN  21   3.146  -6.936   5.236
  159    H    LYS  22           HN       LYS  22   7.968  -8.899   1.422
  160    HA   LYS  22           HA       LYS  22   7.876 -11.741   0.775
  161    HB2  LYS  22           HB2      LYS  22   9.723 -10.804  -0.941
  162    HB3  LYS  22           HB1      LYS  22   7.996 -10.799  -1.264
  163    HG2  LYS  22           HG2      LYS  22   8.975  -8.686  -1.888
  164    HG3  LYS  22           HG1      LYS  22   7.869  -8.463  -0.538
  165    HD2  LYS  22           HD2      LYS  22   9.691  -8.234   1.001
  166    HD3  LYS  22           HD1      LYS  22  10.862  -8.709  -0.232
  167    HE2  LYS  22           HE2      LYS  22  10.713  -6.223   0.269
  168    HE3  LYS  22           HE1      LYS  22  10.565  -6.694  -1.428
  169    HZ1  LYS  22           HZ1      LYS  22   8.064  -6.632  -0.984
  170    HZ2  LYS  22           HZ2      LYS  22   8.867  -5.152  -1.122
  171    HZ3  LYS  22           HZ3      LYS  22   8.455  -5.754   0.410
  172    H    GLY  23           HN       GLY  23   9.888  -9.529   2.488
  173    HA2  GLY  23           HA2      GLY  23  11.527 -11.479   3.619
  174    HA3  GLY  23           HA1      GLY  23  12.371 -10.861   2.199
  175    H    LYS  24           HN       LYS  24  12.922  -8.605   2.136
  176    HA   LYS  24           HA       LYS  24  12.829  -7.249   4.722
  177    HB2  LYS  24           HB2      LYS  24  14.898  -7.349   3.129
  178    HB3  LYS  24           HB1      LYS  24  14.035  -6.118   2.204
  179    HG2  LYS  24           HG2      LYS  24  14.383  -4.514   3.750
  180    HG3  LYS  24           HG1      LYS  24  14.340  -5.645   5.108
  181    HD2  LYS  24           HD2      LYS  24  16.580  -4.817   4.851
  182    HD3  LYS  24           HD1      LYS  24  16.501  -6.514   4.392
  183    HE2  LYS  24           HE2      LYS  24  16.440  -5.864   2.037
  184    HE3  LYS  24           HE1      LYS  24  16.546  -4.168   2.514
  185    HZ1  LYS  24           HZ1      LYS  24  18.689  -4.635   3.531
  186    HZ2  LYS  24           HZ2      LYS  24  18.708  -5.034   1.891
  187    HZ3  LYS  24           HZ3      LYS  24  18.589  -6.253   3.052
  188    H    GLY  25           HN       GLY  25  12.581  -4.707   4.114
  189    HA2  GLY  25           HA2      GLY  25  10.880  -3.143   3.808
  190    HA3  GLY  25           HA1      GLY  25  11.247  -3.561   2.166
  191    H    LYS  26           HN       LYS  26   8.968  -3.748   4.717
  192    HA   LYS  26           HA       LYS  26   7.119  -5.034   2.823
  193    HB2  LYS  26           HB2      LYS  26   6.225  -6.358   4.731
  194    HB3  LYS  26           HB1      LYS  26   7.884  -6.737   4.268
  195    HG2  LYS  26           HG2      LYS  26   8.460  -4.982   6.131
  196    HG3  LYS  26           HG1      LYS  26   6.860  -5.439   6.726
  197    HD2  LYS  26           HD2      LYS  26   8.628  -6.800   7.738
  198    HD3  LYS  26           HD1      LYS  26   7.530  -7.779   6.764
  199    HE2  LYS  26           HE2      LYS  26   9.101  -7.942   5.002
  200    HE3  LYS  26           HE1      LYS  26  10.143  -6.694   5.701
  201    HZ1  LYS  26           HZ1      LYS  26   9.595  -9.408   6.805
  202    HZ2  LYS  26           HZ2      LYS  26  10.506  -8.228   7.593
  203    HZ3  LYS  26           HZ3      LYS  26  11.052  -8.875   6.128
  204    H    LEU  27           HN       LEU  27   5.113  -4.309   2.733
  205    HA   LEU  27           HA       LEU  27   4.351  -2.135   4.564
  206    HB2  LEU  27           HB2      LEU  27   4.832  -1.530   2.147
  207    HB3  LEU  27           HB1      LEU  27   3.441  -2.510   1.700
  208    HG   LEU  27           HG       LEU  27   1.977  -1.025   2.987
  209   HD11  LEU  27          HD11      LEU  27   3.538  -0.292   4.687
  210   HD12  LEU  27          HD12      LEU  27   2.862   1.099   3.839
  211   HD13  LEU  27          HD13      LEU  27   4.497   0.550   3.470
  212   HD21  LEU  27          HD21      LEU  27   2.360  -0.588   0.617
  213   HD22  LEU  27          HD22      LEU  27   3.756   0.412   1.021
  214   HD23  LEU  27          HD23      LEU  27   2.138   0.917   1.509
  215    H    SER  28           HN       SER  28   2.651  -2.598   5.812
  216    HA   SER  28           HA       SER  28   0.876  -4.805   4.997
  217    HB2  SER  28           HB2      SER  28   1.289  -3.638   7.764
  218    HB3  SER  28           HB1      SER  28   0.416  -5.118   7.353
  219    HG   SER  28           HG       SER  28   3.125  -4.784   6.642
  220    H    LEU  29           HN       LEU  29  -0.884  -3.975   4.008
  221    HA   LEU  29           HA       LEU  29  -1.805  -1.287   4.548
  222    HB2  LEU  29           HB2      LEU  29  -2.940  -3.364   2.687
  223    HB3  LEU  29           HB1      LEU  29  -3.348  -1.660   2.710
  224    HG   LEU  29           HG       LEU  29  -1.957  -1.791   0.904
  225   HD11  LEU  29          HD11      LEU  29   0.178  -0.790   1.466
  226   HD12  LEU  29          HD12      LEU  29  -0.047  -1.257   3.150
  227   HD13  LEU  29          HD13      LEU  29  -1.134  -0.080   2.409
  228   HD21  LEU  29          HD21      LEU  29  -0.063  -3.625   2.339
  229   HD22  LEU  29          HD22      LEU  29  -0.021  -3.155   0.641
  230   HD23  LEU  29          HD23      LEU  29  -1.338  -4.161   1.246
  231    H    SER  30           HN       SER  30  -3.543  -0.652   5.650
  232    HA   SER  30           HA       SER  30  -5.687  -2.574   5.937
  233    HB2  SER  30           HB2      SER  30  -4.438  -2.695   8.056
  234    HB3  SER  30           HB1      SER  30  -4.605  -0.949   8.252
  235    HG   SER  30           HG       SER  30  -6.510  -2.979   8.545
  236    H    MET  31           HN       MET  31  -7.633  -1.697   5.487
  237    HA   MET  31           HA       MET  31  -7.886   1.240   5.494
  238    HB2  MET  31           HB2      MET  31  -9.027  -0.551   3.344
  239    HB3  MET  31           HB1      MET  31  -9.032   1.204   3.377
  240    HG2  MET  31           HG2      MET  31  -6.565   1.164   3.191
  241    HG3  MET  31           HG1      MET  31  -6.643  -0.589   3.028
  242    HE1  MET  31           HE1      MET  31  -9.470  -0.703   1.286
  243    HE2  MET  31           HE2      MET  31  -8.087  -1.773   1.060
  244    HE3  MET  31           HE3      MET  31  -8.757  -0.897  -0.316
  245    H    ASN  32           HN       ASN  32  -9.603   1.871   6.650
  246    HA   ASN  32           HA       ASN  32 -12.076   0.347   6.515
  247    HB2  ASN  32           HB2      ASN  32 -10.700   0.936   9.147
  248    HB3  ASN  32           HB1      ASN  32 -12.394   0.476   9.011
  249   HD21  ASN  32          HD21      ASN  32  -9.134  -0.590   9.006
  250   HD22  ASN  32          HD22      ASN  32  -9.460  -2.289   8.864
  251    H    GLY  33           HN       GLY  33 -13.064   2.050   5.479
  252    HA2  GLY  33           HA2      GLY  33 -14.515   3.837   5.539
  253    HA3  GLY  33           HA1      GLY  33 -14.158   4.014   7.250
  254    H    ASN  34           HN       ASN  34 -12.504   5.440   7.900
  255    HA   ASN  34           HA       ASN  34 -11.587   7.266   5.764
  256    HB2  ASN  34           HB2      ASN  34 -13.442   8.072   7.401
  257    HB3  ASN  34           HB1      ASN  34 -12.138   8.187   8.574
  258   HD21  ASN  34          HD21      ASN  34 -10.171   8.971   6.490
  259   HD22  ASN  34          HD22      ASN  34 -10.542  10.637   6.143
  260    H    GLN  35           HN       GLN  35 -10.190   4.994   6.826
  261    HA   GLN  35           HA       GLN  35  -7.947   6.367   8.138
  262    HB2  GLN  35           HB2      GLN  35  -7.588   4.603   9.637
  263    HB3  GLN  35           HB1      GLN  35  -9.340   4.805   9.638
  264    HG2  GLN  35           HG2      GLN  35  -9.552   2.944   8.064
  265    HG3  GLN  35           HG1      GLN  35  -7.800   2.743   8.072
  266   HE21  GLN  35          HE21      GLN  35  -9.697   3.527  10.913
  267   HE22  GLN  35          HE22      GLN  35  -9.438   2.019  11.731
  268    H    LEU  36           HN       LEU  36  -6.026   6.079   7.197
  269    HA   LEU  36           HA       LEU  36  -5.556   3.506   5.875
  270    HB2  LEU  36           HB2      LEU  36  -5.650   5.582   4.280
  271    HB3  LEU  36           HB1      LEU  36  -4.093   5.976   4.974
  272    HG   LEU  36           HG       LEU  36  -3.815   4.825   2.839
  273   HD11  LEU  36          HD11      LEU  36  -2.333   3.033   3.498
  274   HD12  LEU  36          HD12      LEU  36  -3.037   3.017   5.116
  275   HD13  LEU  36          HD13      LEU  36  -2.129   4.425   4.563
  276   HD21  LEU  36          HD21      LEU  36  -4.562   2.560   2.485
  277   HD22  LEU  36          HD22      LEU  36  -5.943   3.578   2.893
  278   HD23  LEU  36          HD23      LEU  36  -5.252   2.499   4.104
  279    H    LYS  37           HN       LYS  37  -4.157   2.440   7.052
  280    HA   LYS  37           HA       LYS  37  -1.812   3.844   8.091
  281    HB2  LYS  37           HB2      LYS  37  -2.149   2.523  10.297
  282    HB3  LYS  37           HB1      LYS  37  -3.069   4.003  10.057
  283    HG2  LYS  37           HG2      LYS  37  -4.800   2.762  10.750
  284    HG3  LYS  37           HG1      LYS  37  -4.809   2.155   9.095
  285    HD2  LYS  37           HD2      LYS  37  -3.427   0.263   9.773
  286    HD3  LYS  37           HD1      LYS  37  -3.380   0.878  11.425
  287    HE2  LYS  37           HE2      LYS  37  -5.894   0.094   9.952
  288    HE3  LYS  37           HE1      LYS  37  -5.034  -0.944  11.088
  289    HZ1  LYS  37           HZ1      LYS  37  -6.206   1.701  11.749
  290    HZ2  LYS  37           HZ2      LYS  37  -5.449   0.649  12.834
  291    HZ3  LYS  37           HZ3      LYS  37  -6.913   0.211  12.112
  292    H    ALA  38           HN       ALA  38  -0.484   2.753   6.847
  293    HA   ALA  38           HA       ALA  38  -0.501  -0.185   6.902
  294    HB1  ALA  38           HB1      ALA  38  -0.633   0.798   4.667
  295    HB2  ALA  38           HB2      ALA  38   0.903  -0.041   4.893
  296    HB3  ALA  38           HB3      ALA  38   0.839   1.719   4.974
  297    H    THR  39           HN       THR  39   1.064  -1.182   7.989
  298    HA   THR  39           HA       THR  39   3.103   0.510   9.217
  299    HB   THR  39           HB       THR  39   3.481  -1.368  10.756
  300    HG1  THR  39           HG1      THR  39   2.796  -2.931   9.038
  301   HG21  THR  39          HG21      THR  39   1.292  -1.371  11.882
  302   HG22  THR  39          HG22      THR  39   0.552  -0.690  10.434
  303   HG23  THR  39          HG23      THR  39   1.740   0.246  11.340
  304    H    SER  40           HN       SER  40   5.211   0.242   8.887
  305    HA   SER  40           HA       SER  40   6.004  -1.728   6.861
  306    HB2  SER  40           HB2      SER  40   7.960  -0.180   6.506
  307    HB3  SER  40           HB1      SER  40   6.389   0.513   6.091
  308    HG   SER  40           HG       SER  40   7.539   0.883   8.645
  309    H    SER  41           HN       SER  41   7.067  -3.395   7.610
  310    HA   SER  41           HA       SER  41   8.436  -3.111  10.173
  311    HB2  SER  41           HB2      SER  41   6.639  -4.841   9.990
  312    HB3  SER  41           HB1      SER  41   7.605  -5.661   8.769
  313    HG   SER  41           HG       SER  41   8.047  -5.397  11.525
  314    H    ASN  42           HN       ASN  42  10.296  -4.913  10.244
  315    HA   ASN  42           HA       ASN  42  12.494  -5.139   9.810
  316    HB2  ASN  42           HB2      ASN  42  11.397  -5.512   7.312
  317    HB3  ASN  42           HB1      ASN  42  12.550  -4.211   7.032
  318   HD21  ASN  42          HD21      ASN  42  12.210  -7.463   8.345
  319   HD22  ASN  42          HD22      ASN  42  13.851  -7.938   8.054
  320    H    ALA  43           HN       ALA  43  11.395  -2.828  10.842
  321    HA   ALA  43           HA       ALA  43  12.084  -0.823  11.617
  322    HB1  ALA  43           HB1      ALA  43  14.446  -0.399  11.699
  323    HB2  ALA  43           HB2      ALA  43  14.733  -1.566  10.410
  324    HB3  ALA  43           HB3      ALA  43  14.143  -2.113  11.978
  325    H    GLY  44           HN       GLY  44  11.048  -0.992   8.825
  326    HA2  GLY  44           HA2      GLY  44  10.432   0.706   7.372
  327    HA3  GLY  44           HA1      GLY  44  11.541   1.780   8.214
  328    H    TYR  45           HN       TYR  45  13.187  -1.004   7.397
  329    HA   TYR  45           HA       TYR  45  14.779   0.257   5.433
  330    HB2  TYR  45           HB2      TYR  45  14.516  -2.601   6.334
  331    HB3  TYR  45           HB1      TYR  45  15.548  -2.168   4.977
  332    HD1  TYR  45           HD1      TYR  45  17.381  -0.440   5.377
  333    HD2  TYR  45           HD2      TYR  45  15.362  -2.430   8.555
  334    HE1  TYR  45           HE1      TYR  45  19.245   0.085   6.889
  335    HE2  TYR  45           HE2      TYR  45  17.219  -1.904  10.067
  336    HH   TYR  45           HH       TYR  45  19.660  -1.414   9.862
  337    H    GLY  46           HN       GLY  46  15.045  -0.349   3.224
  338    HA2  GLY  46           HA2      GLY  46  12.503  -0.678   1.893
  339    HA3  GLY  46           HA1      GLY  46  14.054  -0.348   1.134
  340    H    ILE  47           HN       ILE  47  13.180  -1.917  -0.407
  341    HA   ILE  47           HA       ILE  47  12.671  -4.607   0.064
  342    HB   ILE  47           HB       ILE  47  14.117  -3.483  -2.312
  343   HG12  ILE  47          HG12      ILE  47  12.190  -2.134  -2.124
  344   HG13  ILE  47          HG11      ILE  47  11.726  -3.387  -3.274
  345   HG21  ILE  47          HG21      ILE  47  14.154  -5.863  -2.356
  346   HG22  ILE  47          HG22      ILE  47  12.947  -5.331  -3.527
  347   HG23  ILE  47          HG23      ILE  47  12.442  -5.955  -1.960
  348   HD11  ILE  47          HD11      ILE  47   9.949  -2.968  -1.677
  349   HD12  ILE  47          HD12      ILE  47  11.043  -3.332  -0.345
  350   HD13  ILE  47          HD13      ILE  47  10.590  -4.598  -1.486
  351    H    SER  48           HN       SER  48  15.638  -3.189  -1.168
  352    HA   SER  48           HA       SER  48  17.463  -4.563   0.315
  353    HB2  SER  48           HB2      SER  48  18.188  -6.360  -1.293
  354    HB3  SER  48           HB1      SER  48  16.589  -6.644  -0.590
  355    HG   SER  48           HG       SER  48  16.459  -7.010  -2.785
  356    H    TYR  49           HN       TYR  49  17.326  -4.475  -3.210
  357    HA   TYR  49           HA       TYR  49  18.509  -1.852  -3.379
  358    HB2  TYR  49           HB2      TYR  49  20.450  -3.475  -2.995
  359    HB3  TYR  49           HB1      TYR  49  20.058  -4.160  -4.565
  360    HD1  TYR  49           HD1      TYR  49  21.355  -3.378  -6.369
  361    HD2  TYR  49           HD2      TYR  49  20.616  -0.758  -3.079
  362    HE1  TYR  49           HE1      TYR  49  22.722  -1.647  -7.437
  363    HE2  TYR  49           HE2      TYR  49  21.987   0.968  -4.151
  364    HH   TYR  49           HH       TYR  49  22.921   0.849  -7.377
  365    H    GLU  50           HN       GLU  50  16.145  -3.506  -4.234
  366    HA   GLU  50           HA       GLU  50  16.418  -3.212  -7.150
  367    HB2  GLU  50           HB2      GLU  50  14.593  -5.108  -5.657
  368    HB3  GLU  50           HB1      GLU  50  14.774  -4.995  -7.405
  369    HG2  GLU  50           HG2      GLU  50  17.101  -5.715  -7.207
  370    HG3  GLU  50           HG1      GLU  50  16.907  -5.843  -5.456
  371    H    ASP  51           HN       ASP  51  14.779  -2.262  -8.290
  372    HA   ASP  51           HA       ASP  51  13.117  -0.508  -6.638
  373    HB2  ASP  51           HB2      ASP  51  13.063   0.994  -8.539
  374    HB3  ASP  51           HB1      ASP  51  14.737   0.539  -8.217
  375    H    LYS  52           HN       LYS  52  10.961  -0.164  -7.054
  376    HA   LYS  52           HA       LYS  52   9.719  -1.814  -9.132
  377    HB2  LYS  52           HB2      LYS  52   8.236  -1.264  -6.599
  378    HB3  LYS  52           HB1      LYS  52   7.977  -2.535  -7.782
  379    HG2  LYS  52           HG2      LYS  52  10.378  -2.441  -6.029
  380    HG3  LYS  52           HG1      LYS  52   8.883  -3.228  -5.534
  381    HD2  LYS  52           HD2      LYS  52   9.212  -4.379  -7.924
  382    HD3  LYS  52           HD1      LYS  52  10.906  -4.022  -7.539
  383    HE2  LYS  52           HE2      LYS  52  10.276  -6.251  -6.753
  384    HE3  LYS  52           HE1      LYS  52  10.669  -5.186  -5.405
  385    HZ1  LYS  52           HZ1      LYS  52   8.693  -6.444  -4.910
  386    HZ2  LYS  52           HZ2      LYS  52   7.942  -5.917  -6.324
  387    HZ3  LYS  52           HZ3      LYS  52   8.266  -4.812  -5.084
  388    H    ASN  53           HN       ASN  53   8.026  -0.892 -10.112
  389    HA   ASN  53           HA       ASN  53   7.654   1.967  -9.670
  390    HB2  ASN  53           HB2      ASN  53   8.195   1.492 -11.913
  391    HB3  ASN  53           HB1      ASN  53   7.108   0.111 -11.981
  392   HD21  ASN  53          HD21      ASN  53   5.108   0.381 -12.626
  393   HD22  ASN  53          HD22      ASN  53   4.402   1.907 -13.072
  394    H    TRP  54           HN       TRP  54   6.212   2.307  -8.145
  395    HA   TRP  54           HA       TRP  54   4.064   0.359  -7.758
  396    HB2  TRP  54           HB2      TRP  54   5.945   1.612  -6.063
  397    HB3  TRP  54           HB1      TRP  54   4.335   2.183  -5.604
  398    HD1  TRP  54           HD1      TRP  54   6.499  -0.935  -5.552
  399    HE1  TRP  54           HE1      TRP  54   5.225  -2.770  -4.241
  400    HE3  TRP  54           HE3      TRP  54   2.083   1.421  -5.156
  401    HZ2  TRP  54           HZ2      TRP  54   2.565  -3.107  -3.189
  402    HZ3  TRP  54           HZ3      TRP  54   0.219   0.355  -4.017
  403    HH2  TRP  54           HH2      TRP  54   0.463  -1.870  -3.026
  404    H    GLY  55           HN       GLY  55   1.930   1.167  -6.827
  405    HA2  GLY  55           HA2      GLY  55   1.386   3.965  -7.366
  406    HA3  GLY  55           HA1      GLY  55   0.598   2.811  -8.413
  407    H    ILE  56           HN       ILE  56  -0.249   4.797  -6.263
  408    HA   ILE  56           HA       ILE  56  -2.245   2.938  -5.121
  409    HB   ILE  56           HB       ILE  56  -1.382   5.650  -4.086
  410   HG12  ILE  56          HG12      ILE  56  -0.968   4.164  -2.002
  411   HG13  ILE  56          HG11      ILE  56  -0.975   2.826  -3.154
  412   HG21  ILE  56          HG21      ILE  56  -3.800   5.328  -3.851
  413   HG22  ILE  56          HG22      ILE  56  -2.989   5.318  -2.285
  414   HG23  ILE  56          HG23      ILE  56  -3.513   3.802  -3.019
  415   HD11  ILE  56          HD11      ILE  56   0.841   5.215  -3.351
  416   HD12  ILE  56          HD12      ILE  56   0.918   3.724  -4.291
  417   HD13  ILE  56          HD13      ILE  56   1.274   3.702  -2.564
  418    H    PHE  57           HN       PHE  57  -4.228   3.110  -5.973
  419    HA   PHE  57           HA       PHE  57  -4.993   5.691  -7.190
  420    HB2  PHE  57           HB2      PHE  57  -6.039   3.057  -8.216
  421    HB3  PHE  57           HB1      PHE  57  -6.100   4.629  -8.983
  422    HD1  PHE  57           HD1      PHE  57  -3.821   1.862  -8.062
  423    HD2  PHE  57           HD2      PHE  57  -4.427   5.324 -10.460
  424    HE1  PHE  57           HE1      PHE  57  -1.832   1.285  -9.384
  425    HE2  PHE  57           HE2      PHE  57  -2.436   4.753 -11.785
  426    HZ   PHE  57           HZ       PHE  57  -1.136   2.732 -11.246
  427    H    VAL  58           HN       VAL  58  -7.214   6.253  -7.004
  428    HA   VAL  58           HA       VAL  58  -8.869   4.389  -5.439
  429    HB   VAL  58           HB       VAL  58  -8.326   6.235  -3.959
  430   HG11  VAL  58          HG11      VAL  58  -8.962   8.536  -4.456
  431   HG12  VAL  58          HG12      VAL  58  -9.476   8.048  -6.071
  432   HG13  VAL  58          HG13      VAL  58  -7.778   7.929  -5.613
  433   HG21  VAL  58          HG21      VAL  58 -11.155   6.451  -4.976
  434   HG22  VAL  58          HG22      VAL  58 -10.579   7.007  -3.405
  435   HG23  VAL  58          HG23      VAL  58 -10.561   5.287  -3.791
  436    H    ASN  59           HN       ASN  59 -10.563   3.708  -6.558
  437    HA   ASN  59           HA       ASN  59 -12.023   3.432  -8.287
  438    HB2  ASN  59           HB2      ASN  59 -12.069   6.451  -8.137
  439    HB3  ASN  59           HB1      ASN  59 -13.135   5.518  -9.176
  440   HD21  ASN  59          HD21      ASN  59 -14.785   4.318  -8.266
  441   HD22  ASN  59          HD22      ASN  59 -15.297   4.547  -6.629
  442    H    GLY  60           HN       GLY  60  -9.115   3.745  -8.819
  443    HA2  GLY  60           HA2      GLY  60  -7.848   3.524 -10.747
  444    HA3  GLY  60           HA1      GLY  60  -9.277   3.929 -11.693
  445    H    GLU  61           HN       GLU  61  -7.927   5.859  -9.083
  446    HA   GLU  61           HA       GLU  61  -6.935   7.824 -11.032
  447    HB2  GLU  61           HB2      GLU  61  -9.162   8.530 -10.207
  448    HB3  GLU  61           HB1      GLU  61  -8.560   8.453  -8.554
  449    HG2  GLU  61           HG2      GLU  61  -8.620  10.738  -9.360
  450    HG3  GLU  61           HG1      GLU  61  -6.961  10.223  -9.044
  451    H    LYS  62           HN       LYS  62  -4.958   8.596 -10.557
  452    HA   LYS  62           HA       LYS  62  -3.325   7.358  -8.686
  453    HB2  LYS  62           HB2      LYS  62  -3.077   9.866 -10.290
  454    HB3  LYS  62           HB1      LYS  62  -1.866   9.498  -9.067
  455    HG2  LYS  62           HG2      LYS  62  -2.604   7.711 -11.377
  456    HG3  LYS  62           HG1      LYS  62  -1.199   8.779 -11.307
  457    HD2  LYS  62           HD2      LYS  62  -0.589   7.513  -9.161
  458    HD3  LYS  62           HD1      LYS  62  -1.766   6.311  -9.692
  459    HE2  LYS  62           HE2      LYS  62   0.375   5.598 -10.460
  460    HE3  LYS  62           HE1      LYS  62  -0.521   6.181 -11.862
  461    HZ1  LYS  62           HZ1      LYS  62   1.532   7.719 -10.360
  462    HZ2  LYS  62           HZ2      LYS  62   0.672   8.276 -11.711
  463    HZ3  LYS  62           HZ3      LYS  62   1.750   6.988 -11.871
  464    H    VAL  63           HN       VAL  63  -3.184   7.497  -6.589
  465    HA   VAL  63           HA       VAL  63  -3.882   9.996  -5.224
  466    HB   VAL  63           HB       VAL  63  -3.384   7.297  -4.049
  467   HG11  VAL  63          HG11      VAL  63  -4.337   8.238  -1.992
  468   HG12  VAL  63          HG12      VAL  63  -4.433   9.811  -2.781
  469   HG13  VAL  63          HG13      VAL  63  -2.862   9.070  -2.484
  470   HG21  VAL  63          HG21      VAL  63  -5.798   7.193  -3.664
  471   HG22  VAL  63          HG22      VAL  63  -5.409   7.285  -5.382
  472   HG23  VAL  63          HG23      VAL  63  -5.986   8.718  -4.531
  473    H    TYR  64           HN       TYR  64  -1.413   7.464  -5.323
  474    HA   TYR  64           HA       TYR  64   0.692   9.419  -5.044
  475    HB2  TYR  64           HB2      TYR  64   0.078   8.991  -2.695
  476    HB3  TYR  64           HB1      TYR  64   0.297   7.262  -2.952
  477    HD1  TYR  64           HD1      TYR  64   2.249   6.365  -2.150
  478    HD2  TYR  64           HD2      TYR  64   2.268  10.414  -3.451
  479    HE1  TYR  64           HE1      TYR  64   4.610   6.553  -1.501
  480    HE2  TYR  64           HE2      TYR  64   4.634  10.614  -2.806
  481    HH   TYR  64           HH       TYR  64   6.230   9.528  -1.283
  482    H    THR  65           HN       THR  65   2.735   8.576  -5.660
  483    HA   THR  65           HA       THR  65   2.756   5.814  -6.689
  484    HB   THR  65           HB       THR  65   3.859   8.196  -8.207
  485    HG1  THR  65           HG1      THR  65   1.529   8.210  -8.056
  486   HG21  THR  65          HG21      THR  65   3.357   5.346  -9.059
  487   HG22  THR  65          HG22      THR  65   4.933   6.068  -8.736
  488   HG23  THR  65          HG23      THR  65   3.963   6.642 -10.093
  489    H    PHE  66           HN       PHE  66   4.820   4.779  -6.366
  490    HA   PHE  66           HA       PHE  66   7.044   6.433  -5.530
  491    HB2  PHE  66           HB2      PHE  66   7.284   5.580  -3.307
  492    HB3  PHE  66           HB1      PHE  66   5.659   6.229  -3.479
  493    HD1  PHE  66           HD1      PHE  66   3.717   4.719  -3.490
  494    HD2  PHE  66           HD2      PHE  66   7.674   3.255  -2.920
  495    HE1  PHE  66           HE1      PHE  66   2.808   2.609  -2.591
  496    HE2  PHE  66           HE2      PHE  66   6.774   1.146  -2.034
  497    HZ   PHE  66           HZ       PHE  66   4.341   0.824  -1.863
  498    H    ASN  67           HN       ASN  67   8.782   4.872  -4.482
  499    HA   ASN  67           HA       ASN  67   9.058   2.513  -6.234
  500    HB2  ASN  67           HB2      ASN  67  10.604   4.455  -6.736
  501    HB3  ASN  67           HB1      ASN  67  11.290   4.241  -5.128
  502   HD21  ASN  67          HD21      ASN  67  12.607   4.085  -7.660
  503   HD22  ASN  67          HD22      ASN  67  13.279   2.498  -7.783
  504    H    GLU  68           HN       GLU  68   9.494   0.620  -5.216
  505    HA   GLU  68           HA       GLU  68   8.837   0.451  -2.480
  506    HB2  GLU  68           HB2      GLU  68   9.193  -1.348  -4.651
  507    HB3  GLU  68           HB1      GLU  68  10.075  -1.970  -3.274
  508    HG2  GLU  68           HG2      GLU  68   7.989  -1.730  -1.923
  509    HG3  GLU  68           HG1      GLU  68   7.149  -1.304  -3.417
  510    H    LYS  69           HN       LYS  69  11.958   0.668  -4.021
  511    HA   LYS  69           HA       LYS  69  13.350  -0.558  -1.808
  512    HB2  LYS  69           HB2      LYS  69  15.398   0.034  -2.983
  513    HB3  LYS  69           HB1      LYS  69  14.254  -0.741  -4.073
  514    HG2  LYS  69           HG2      LYS  69  13.570   1.546  -4.820
  515    HG3  LYS  69           HG1      LYS  69  14.932   2.174  -3.888
  516    HD2  LYS  69           HD2      LYS  69  15.284   0.025  -5.962
  517    HD3  LYS  69           HD1      LYS  69  15.367   1.739  -6.367
  518    HE2  LYS  69           HE2      LYS  69  17.098   0.307  -4.353
  519    HE3  LYS  69           HE1      LYS  69  17.591   0.797  -5.972
  520    HZ1  LYS  69           HZ1      LYS  69  17.186   3.113  -5.321
  521    HZ2  LYS  69           HZ2      LYS  69  18.371   2.382  -4.364
  522    HZ3  LYS  69           HZ3      LYS  69  16.813   2.611  -3.751
  523    H    SER  70           HN       SER  70  11.861   2.321  -2.068
  524    HA   SER  70           HA       SER  70  13.763   3.972  -0.729
  525    HB2  SER  70           HB2      SER  70  10.745   4.270  -0.770
  526    HB3  SER  70           HB1      SER  70  11.942   5.540  -0.488
  527    HG   SER  70           HG       SER  70  11.078   4.398  -2.852
  528    H    THR  71           HN       THR  71  12.824   4.907   1.591
  529    HA   THR  71           HA       THR  71  12.817   2.596   3.290
  530    HB   THR  71           HB       THR  71  12.619   4.266   5.153
  531    HG1  THR  71           HG1      THR  71  11.827   5.863   3.179
  532   HG21  THR  71          HG21      THR  71  14.811   3.539   4.357
  533   HG22  THR  71          HG22      THR  71  14.855   5.229   4.857
  534   HG23  THR  71          HG23      THR  71  14.804   4.817   3.142
  535    H    VAL  72           HN       VAL  72  11.040   1.471   3.552
  536    HA   VAL  72           HA       VAL  72   8.545   2.274   2.613
  537    HB   VAL  72           HB       VAL  72   8.911   0.092   4.658
  538   HG11  VAL  72          HG11      VAL  72   7.096  -0.984   3.432
  539   HG12  VAL  72          HG12      VAL  72   7.037   0.376   2.311
  540   HG13  VAL  72          HG13      VAL  72   6.615   0.613   4.007
  541   HG21  VAL  72          HG21      VAL  72   9.509  -0.030   1.704
  542   HG22  VAL  72          HG22      VAL  72   9.395  -1.429   2.771
  543   HG23  VAL  72          HG23      VAL  72  10.661  -0.228   3.023
  544    H    GLY  73           HN       GLY  73  10.102   3.143   5.467
  545    HA2  GLY  73           HA2      GLY  73   7.710   3.437   7.092
  546    HA3  GLY  73           HA1      GLY  73   9.333   4.011   7.497
  547    H    ASN  74           HN       ASN  74   9.836   5.606   5.228
  548    HA   ASN  74           HA       ASN  74   8.265   7.920   5.832
  549    HB2  ASN  74           HB2      ASN  74  10.373   7.322   3.776
  550    HB3  ASN  74           HB1      ASN  74   9.438   8.809   3.688
  551   HD21  ASN  74          HD21      ASN  74  11.956   7.109   5.268
  552   HD22  ASN  74          HD22      ASN  74  12.432   8.388   6.344
  553    H    ILE  75           HN       ILE  75   8.239   5.432   3.403
  554    HA   ILE  75           HA       ILE  75   6.338   6.649   1.686
  555    HB   ILE  75           HB       ILE  75   6.983   3.721   2.070
  556   HG12  ILE  75          HG12      ILE  75   8.936   5.017   1.367
  557   HG13  ILE  75          HG11      ILE  75   8.373   3.990   0.050
  558   HG21  ILE  75          HG21      ILE  75   5.974   3.400  -0.135
  559   HG22  ILE  75          HG22      ILE  75   5.521   5.104  -0.173
  560   HG23  ILE  75          HG23      ILE  75   4.808   4.028   1.030
  561   HD11  ILE  75          HD11      ILE  75   7.264   5.937  -0.958
  562   HD12  ILE  75          HD12      ILE  75   9.005   6.160  -0.787
  563   HD13  ILE  75          HD13      ILE  75   7.900   6.949   0.340
  564    H    SER  76           HN       SER  76   6.030   4.108   4.176
  565    HA   SER  76           HA       SER  76   3.314   3.677   3.821
  566    HB2  SER  76           HB2      SER  76   3.346   2.642   6.074
  567    HB3  SER  76           HB1      SER  76   4.622   2.055   5.005
  568    HG   SER  76           HG       SER  76   6.098   2.961   6.232
  569    H    ASN  77           HN       ASN  77   4.774   5.433   6.516
  570    HA   ASN  77           HA       ASN  77   2.210   6.178   7.444
  571    HB2  ASN  77           HB2      ASN  77   4.934   6.612   8.372
  572    HB3  ASN  77           HB1      ASN  77   3.841   7.948   8.745
  573   HD21  ASN  77          HD21      ASN  77   1.444   6.368   8.969
  574   HD22  ASN  77          HD22      ASN  77   1.584   5.411  10.410
  575    H    ASP  78           HN       ASP  78   4.241   7.731   5.090
  576    HA   ASP  78           HA       ASP  78   2.794  10.198   5.132
  577    HB2  ASP  78           HB2      ASP  78   4.562   8.845   3.173
  578    HB3  ASP  78           HB1      ASP  78   3.424  10.022   2.533
  579    H    ILE  79           HN       ILE  79   2.467   7.178   3.316
  580    HA   ILE  79           HA       ILE  79   0.074   7.719   1.980
  581    HB   ILE  79           HB       ILE  79   1.089   5.092   3.103
  582   HG12  ILE  79          HG12      ILE  79   1.207   6.274   0.316
  583   HG13  ILE  79          HG11      ILE  79   2.569   6.067   1.422
  584   HG21  ILE  79          HG21      ILE  79  -0.467   3.996   1.565
  585   HG22  ILE  79          HG22      ILE  79  -1.123   5.566   1.104
  586   HG23  ILE  79          HG23      ILE  79  -1.320   4.979   2.756
  587   HD11  ILE  79          HD11      ILE  79   2.285   3.648   1.314
  588   HD12  ILE  79          HD12      ILE  79   2.540   4.337  -0.289
  589   HD13  ILE  79          HD13      ILE  79   0.920   3.855   0.219
  590    H    ASN  80           HN       ASN  80   0.752   7.001   5.295
  591    HA   ASN  80           HA       ASN  80  -1.991   6.379   5.875
  592    HB2  ASN  80           HB2      ASN  80   0.283   6.749   7.833
  593    HB3  ASN  80           HB1      ASN  80  -1.263   5.977   8.162
  594   HD21  ASN  80          HD21      ASN  80   1.308   4.814   8.556
  595   HD22  ASN  80          HD22      ASN  80   1.440   3.447   7.497
  596    H    LYS  81           HN       LYS  81   0.160   9.103   6.159
  597    HA   LYS  81           HA       LYS  81  -1.451  10.766   7.739
  598    HB2  LYS  81           HB2      LYS  81   0.398  11.439   5.444
  599    HB3  LYS  81           HB1      LYS  81  -0.373  12.652   6.459
  600    HG2  LYS  81           HG2      LYS  81   0.775  11.740   8.413
  601    HG3  LYS  81           HG1      LYS  81   1.550  10.529   7.389
  602    HD2  LYS  81           HD2      LYS  81   2.673  12.277   6.133
  603    HD3  LYS  81           HD1      LYS  81   1.850  13.516   7.081
  604    HE2  LYS  81           HE2      LYS  81   3.782  11.463   8.152
  605    HE3  LYS  81           HE1      LYS  81   4.145  13.161   7.851
  606    HZ1  LYS  81           HZ1      LYS  81   2.419  13.737   9.491
  607    HZ2  LYS  81           HZ2      LYS  81   3.683  12.840  10.165
  608    HZ3  LYS  81           HZ3      LYS  81   2.207  12.093   9.828
  609    H    LEU  82           HN       LEU  82  -1.522   9.918   4.357
  610    HA   LEU  82           HA       LEU  82  -3.364  11.688   3.320
  611    HB2  LEU  82           HB2      LEU  82  -3.460   8.755   2.672
  612    HB3  LEU  82           HB1      LEU  82  -3.740  10.122   1.603
  613    HG   LEU  82           HG       LEU  82  -1.060   9.190   2.693
  614   HD11  LEU  82          HD11      LEU  82  -0.587   8.796   0.301
  615   HD12  LEU  82          HD12      LEU  82  -2.245   9.248  -0.098
  616   HD13  LEU  82          HD13      LEU  82  -1.934   7.817   0.884
  617   HD21  LEU  82          HD21      LEU  82  -1.706  11.547   0.893
  618   HD22  LEU  82          HD22      LEU  82  -0.093  10.976   1.317
  619   HD23  LEU  82          HD23      LEU  82  -1.146  11.643   2.563
  620    H    ASN  83           HN       ASN  83  -3.815   9.010   5.447
  621    HA   ASN  83           HA       ASN  83  -5.623   7.796   6.150
  622    HB2  ASN  83           HB2      ASN  83  -5.615  10.441   7.139
  623    HB3  ASN  83           HB1      ASN  83  -7.295   9.958   6.915
  624   HD21  ASN  83          HD21      ASN  83  -4.598   7.766   7.656
  625   HD22  ASN  83          HD22      ASN  83  -5.185   7.321   9.230
  626    H    ILE  84           HN       ILE  84  -6.658   6.688   4.778
  627    HA   ILE  84           HA       ILE  84  -7.782   7.300   2.414
  628    HB   ILE  84           HB       ILE  84  -7.573   5.036   3.967
  629   HG12  ILE  84          HG12      ILE  84  -8.208   3.833   2.015
  630   HG13  ILE  84          HG11      ILE  84  -9.086   5.231   1.375
  631   HG21  ILE  84          HG21      ILE  84  -9.760   3.945   3.916
  632   HG22  ILE  84          HG22      ILE  84 -10.496   5.451   3.366
  633   HG23  ILE  84          HG23      ILE  84  -9.764   5.361   4.968
  634   HD11  ILE  84          HD11      ILE  84  -7.155   6.351   0.803
  635   HD12  ILE  84          HD12      ILE  84  -6.745   4.675   0.439
  636   HD13  ILE  84          HD13      ILE  84  -6.158   5.423   1.922
  637    H    LYS  85           HN       LYS  85  -9.738   7.861   1.577
  638    HA   LYS  85           HA       LYS  85 -12.022   8.193   3.344
  639    HB2  LYS  85           HB2      LYS  85 -12.389  10.501   2.832
  640    HB3  LYS  85           HB1      LYS  85 -10.722  10.345   3.376
  641    HG2  LYS  85           HG2      LYS  85 -10.447  10.010   0.659
  642    HG3  LYS  85           HG1      LYS  85 -11.749  11.202   0.778
  643    HD2  LYS  85           HD2      LYS  85  -9.625  12.333   0.646
  644    HD3  LYS  85           HD1      LYS  85 -10.309  12.565   2.255
  645    HE2  LYS  85           HE2      LYS  85  -8.847  10.929   3.192
  646    HE3  LYS  85           HE1      LYS  85  -8.291  10.422   1.598
  647    HZ1  LYS  85           HZ1      LYS  85  -7.835  13.101   2.804
  648    HZ2  LYS  85           HZ2      LYS  85  -7.240  12.567   1.316
  649    HZ3  LYS  85           HZ3      LYS  85  -6.694  11.853   2.752
  650    H    GLY  86           HN       GLY  86 -10.946   6.730   0.875
  651    HA2  GLY  86           HA2      GLY  86 -13.031   7.449  -1.049
  652    HA3  GLY  86           HA1      GLY  86 -11.604   6.482  -1.400
  653    HA   PRO  87           HA       PRO  87 -15.089   3.546  -0.455
  654    HB2  PRO  87           HB2      PRO  87 -15.685   2.679  -2.921
  655    HB3  PRO  87           HB1      PRO  87 -16.391   4.167  -2.273
  656    HG2  PRO  87           HG2      PRO  87 -14.114   3.815  -4.177
  657    HG3  PRO  87           HG1      PRO  87 -15.430   5.008  -4.215
  658    HD2  PRO  87           HD2      PRO  87 -12.883   5.502  -3.265
  659    HD3  PRO  87           HD1      PRO  87 -14.325   6.425  -2.793
  660    H    TYR  88           HN       TYR  88 -13.505   2.575  -3.470
  661    HA   TYR  88           HA       TYR  88 -11.988   0.609  -1.948
  662    HB2  TYR  88           HB2      TYR  88 -11.948  -0.777  -4.015
  663    HB3  TYR  88           HB1      TYR  88 -13.564  -0.553  -3.347
  664    HD1  TYR  88           HD1      TYR  88 -15.128   1.056  -4.492
  665    HD2  TYR  88           HD2      TYR  88 -11.396  -0.071  -6.198
  666    HE1  TYR  88           HE1      TYR  88 -15.898   1.849  -6.688
  667    HE2  TYR  88           HE2      TYR  88 -12.156   0.721  -8.396
  668    HH   TYR  88           HH       TYR  88 -14.223   1.145  -9.582
  669    H    ILE  89           HN       ILE  89  -9.849   0.586  -2.123
  670    HA   ILE  89           HA       ILE  89  -8.667   2.609  -3.905
  671    HB   ILE  89           HB       ILE  89  -7.847   1.823  -1.101
  672   HG12  ILE  89          HG12      ILE  89  -8.107   4.401  -0.861
  673   HG13  ILE  89          HG11      ILE  89  -9.043   4.286  -2.347
  674   HG21  ILE  89          HG21      ILE  89  -6.023   3.441  -1.309
  675   HG22  ILE  89          HG22      ILE  89  -6.437   3.690  -3.004
  676   HG23  ILE  89          HG23      ILE  89  -5.849   2.118  -2.463
  677   HD11  ILE  89          HD11      ILE  89 -10.480   4.290  -0.396
  678   HD12  ILE  89          HD12      ILE  89  -9.649   2.870   0.240
  679   HD13  ILE  89          HD13      ILE  89 -10.588   2.749  -1.248
  680    H    GLU  90           HN       GLU  90  -6.943   2.072  -5.075
  681    HA   GLU  90           HA       GLU  90  -6.285  -0.755  -5.299
  682    HB2  GLU  90           HB2      GLU  90  -5.462   1.580  -7.011
  683    HB3  GLU  90           HB1      GLU  90  -5.256  -0.117  -7.405
  684    HG2  GLU  90           HG2      GLU  90  -7.970   1.076  -6.941
  685    HG3  GLU  90           HG1      GLU  90  -7.176   1.167  -8.510
  686    H    ILE  91           HN       ILE  91  -4.801  -1.214  -3.712
  687    HA   ILE  91           HA       ILE  91  -2.314   0.346  -3.749
  688    HB   ILE  91           HB       ILE  91  -3.254  -1.759  -1.782
  689   HG12  ILE  91          HG12      ILE  91  -4.434   0.464  -1.709
  690   HG13  ILE  91          HG11      ILE  91  -3.587   0.038  -0.220
  691   HG21  ILE  91          HG21      ILE  91  -0.688  -0.256  -2.050
  692   HG22  ILE  91          HG22      ILE  91  -0.962  -1.958  -1.667
  693   HG23  ILE  91          HG23      ILE  91  -1.272  -0.719  -0.456
  694   HD11  ILE  91          HD11      ILE  91  -2.659   1.966  -2.335
  695   HD12  ILE  91          HD12      ILE  91  -1.723   1.500  -0.916
  696   HD13  ILE  91          HD13      ILE  91  -3.252   2.364  -0.723
  697    H    LYS  92           HN       LYS  92  -1.146  -0.375  -5.452
  698    HA   LYS  92           HA       LYS  92  -0.087  -3.012  -5.540
  699    HB2  LYS  92           HB2      LYS  92  -1.184  -3.727  -7.658
  700    HB3  LYS  92           HB1      LYS  92  -2.345  -3.584  -6.342
  701    HG2  LYS  92           HG2      LYS  92  -3.543  -2.475  -7.908
  702    HG3  LYS  92           HG1      LYS  92  -2.546  -1.119  -7.368
  703    HD2  LYS  92           HD2      LYS  92  -2.578  -1.169  -9.777
  704    HD3  LYS  92           HD1      LYS  92  -0.964  -1.589  -9.208
  705    HE2  LYS  92           HE2      LYS  92  -1.537  -3.983  -9.518
  706    HE3  LYS  92           HE1      LYS  92  -3.088  -3.487 -10.201
  707    HZ1  LYS  92           HZ1      LYS  92  -1.472  -3.955 -11.928
  708    HZ2  LYS  92           HZ2      LYS  92  -0.411  -2.803 -11.291
  709    HZ3  LYS  92           HZ3      LYS  92  -1.895  -2.318 -11.950
  710    H    GLN  93           HN       GLN  93   1.538  -3.146  -7.231
  711    HA   GLN  93           HA       GLN  93   2.196  -0.479  -8.162
  712    HB2  GLN  93           HB2      GLN  93   4.395  -1.308  -8.681
  713    HB3  GLN  93           HB1      GLN  93   3.945  -1.644  -7.035
  714    HG2  GLN  93           HG2      GLN  93   5.002  -3.587  -7.649
  715    HG3  GLN  93           HG1      GLN  93   3.305  -3.985  -7.927
  716   HE21  GLN  93          HE21      GLN  93   6.287  -2.991  -9.473
  717   HE22  GLN  93          HE22      GLN  93   5.907  -3.611 -11.038
  718    H    ILE  94           HN       ILE  94   3.463  -0.577 -10.375
  719    HA   ILE  94           HA       ILE  94   1.371  -1.535 -12.161
  720    HB   ILE  94           HB       ILE  94   2.134   0.768 -13.366
  721   HG12  ILE  94          HG12      ILE  94   2.384   1.119 -10.372
  722   HG13  ILE  94          HG11      ILE  94   3.572   1.519 -11.603
  723   HG21  ILE  94          HG21      ILE  94   0.028   1.684 -12.561
  724   HG22  ILE  94          HG22      ILE  94  -0.025   0.471 -11.281
  725   HG23  ILE  94          HG23      ILE  94  -0.152  -0.021 -12.970
  726   HD11  ILE  94          HD11      ILE  94   2.156   3.338 -12.383
  727   HD12  ILE  94          HD12      ILE  94   2.548   3.502 -10.669
  728   HD13  ILE  94          HD13      ILE  94   0.955   2.926 -11.158
  Start of MODEL    9
    1    H    ASP   1           HT1      ASP   1 -23.845  -8.634  -1.318
    2    HA   ASP   1           HA       ASP   1 -21.996  -9.326  -3.520
    3    HB2  ASP   1           HB2      ASP   1 -23.207  -7.259  -3.931
    4    HB3  ASP   1           HB1      ASP   1 -22.806  -6.668  -2.324
    5    H    ASN   2           HN       ASN   2 -22.404  -8.507  -0.137
    6    HA   ASN   2           HA       ASN   2 -21.114  -8.856   1.646
    7    HB2  ASN   2           HB2      ASN   2 -20.489 -10.951   0.262
    8    HB3  ASN   2           HB1      ASN   2 -18.972 -10.109  -0.044
    9   HD21  ASN   2          HD21      ASN   2 -20.866  -9.850   2.865
   10   HD22  ASN   2          HD22      ASN   2 -19.711 -10.614   3.919
   11    H    GLN   3           HN       GLN   3 -20.193  -6.895  -0.854
   12    HA   GLN   3           HA       GLN   3 -17.795  -5.914   0.461
   13    HB2  GLN   3           HB2      GLN   3 -19.196  -5.118  -2.084
   14    HB3  GLN   3           HB1      GLN   3 -17.849  -4.213  -1.411
   15    HG2  GLN   3           HG2      GLN   3 -16.403  -6.136  -1.624
   16    HG3  GLN   3           HG1      GLN   3 -17.750  -7.100  -2.252
   17   HE21  GLN   3          HE21      GLN   3 -18.562  -6.613  -4.325
   18   HE22  GLN   3          HE22      GLN   3 -17.612  -5.735  -5.473
   19    H    LYS   4           HN       LYS   4 -20.497  -5.787   1.593
   20    HA   LYS   4           HA       LYS   4 -21.745  -3.351   1.531
   21    HB2  LYS   4           HB2      LYS   4 -22.687  -5.289   2.635
   22    HB3  LYS   4           HB1      LYS   4 -21.430  -5.247   3.860
   23    HG2  LYS   4           HG2      LYS   4 -23.517  -4.359   4.721
   24    HG3  LYS   4           HG1      LYS   4 -22.286  -3.097   4.658
   25    HD2  LYS   4           HD2      LYS   4 -23.247  -2.218   2.616
   26    HD3  LYS   4           HD1      LYS   4 -24.423  -3.530   2.573
   27    HE2  LYS   4           HE2      LYS   4 -25.394  -2.731   4.667
   28    HE3  LYS   4           HE1      LYS   4 -24.208  -1.427   4.721
   29    HZ1  LYS   4           HZ1      LYS   4 -25.121  -0.571   2.651
   30    HZ2  LYS   4           HZ2      LYS   4 -26.305  -0.646   3.851
   31    HZ3  LYS   4           HZ3      LYS   4 -26.274  -1.808   2.622
   32    H    ALA   5           HN       ALA   5 -19.615  -4.256   4.273
   33    HA   ALA   5           HA       ALA   5 -19.124  -1.425   4.726
   34    HB1  ALA   5           HB1      ALA   5 -18.235  -3.788   6.364
   35    HB2  ALA   5           HB2      ALA   5 -19.709  -2.861   6.636
   36    HB3  ALA   5           HB3      ALA   5 -18.135  -2.091   6.831
   37    H    LEU   6           HN       LEU   6 -17.014  -4.215   4.939
   38    HA   LEU   6           HA       LEU   6 -14.832  -2.713   3.726
   39    HB2  LEU   6           HB2      LEU   6 -14.963  -5.476   4.947
   40    HB3  LEU   6           HB1      LEU   6 -13.508  -4.783   4.252
   41    HG   LEU   6           HG       LEU   6 -14.996  -3.745   6.668
   42   HD11  LEU   6          HD11      LEU   6 -12.289  -5.045   6.402
   43   HD12  LEU   6          HD12      LEU   6 -13.733  -5.794   7.084
   44   HD13  LEU   6          HD13      LEU   6 -12.994  -4.409   7.889
   45   HD21  LEU   6          HD21      LEU   6 -14.054  -1.897   5.420
   46   HD22  LEU   6          HD22      LEU   6 -12.502  -2.726   5.315
   47   HD23  LEU   6          HD23      LEU   6 -13.105  -2.179   6.878
   48    H    GLU   7           HN       GLU   7 -15.190  -2.568   1.559
   49    HA   GLU   7           HA       GLU   7 -16.438  -4.748   0.173
   50    HB2  GLU   7           HB2      GLU   7 -16.098  -3.204  -1.849
   51    HB3  GLU   7           HB1      GLU   7 -17.202  -2.693  -0.584
   52    HG2  GLU   7           HG2      GLU   7 -15.359  -1.285   0.340
   53    HG3  GLU   7           HG1      GLU   7 -14.420  -1.681  -1.099
   54    H    GLU   8           HN       GLU   8 -14.039  -3.157  -1.651
   55    HA   GLU   8           HA       GLU   8 -12.539  -5.483  -2.182
   56    HB2  GLU   8           HB2      GLU   8 -11.962  -2.564  -2.627
   57    HB3  GLU   8           HB1      GLU   8 -10.835  -3.825  -3.107
   58    HG2  GLU   8           HG2      GLU   8 -13.690  -3.687  -4.042
   59    HG3  GLU   8           HG1      GLU   8 -12.328  -2.999  -4.924
   60    H    GLN   9           HN       GLN   9 -12.739  -3.995   0.664
   61    HA   GLN   9           HA       GLN   9  -9.965  -3.985   1.459
   62    HB2  GLN   9           HB2      GLN   9 -12.527  -3.720   3.027
   63    HB3  GLN   9           HB1      GLN   9 -10.941  -3.703   3.777
   64    HG2  GLN   9           HG2      GLN   9 -11.617  -1.467   3.581
   65    HG3  GLN   9           HG1      GLN   9 -10.403  -1.722   2.330
   66   HE21  GLN   9          HE21      GLN   9 -10.980  -1.554   0.205
   67   HE22  GLN   9          HE22      GLN   9 -12.524  -0.960  -0.308
   68    H    MET  10           HN       MET  10 -11.543  -6.477   0.516
   69    HA   MET  10           HA       MET  10 -11.080  -8.189   2.838
   70    HB2  MET  10           HB2      MET  10 -12.542  -8.711   0.243
   71    HB3  MET  10           HB1      MET  10 -12.305  -9.920   1.497
   72    HG2  MET  10           HG2      MET  10 -13.537  -8.472   3.074
   73    HG3  MET  10           HG1      MET  10 -13.842  -7.345   1.756
   74    HE1  MET  10           HE1      MET  10 -14.398  -9.210  -0.714
   75    HE2  MET  10           HE2      MET  10 -15.416  -7.833  -0.294
   76    HE3  MET  10           HE3      MET  10 -16.149  -9.404  -0.618
   77    H    ASN  11           HN       ASN  11 -10.899 -10.473   0.772
   78    HA   ASN  11           HA       ASN  11  -8.242 -11.049   1.063
   79    HB2  ASN  11           HB2      ASN  11 -10.082 -11.898  -1.174
   80    HB3  ASN  11           HB1      ASN  11  -8.493 -12.595  -0.896
   81   HD21  ASN  11          HD21      ASN  11  -9.172 -14.626  -0.448
   82   HD22  ASN  11          HD22      ASN  11 -10.092 -15.046   0.957
   83    H    SER  12           HN       SER  12  -9.698  -9.136  -1.510
   84    HA   SER  12           HA       SER  12  -7.698  -9.051  -3.377
   85    HB2  SER  12           HB2      SER  12  -9.415  -6.737  -2.451
   86    HB3  SER  12           HB1      SER  12  -8.541  -6.821  -3.984
   87    HG   SER  12           HG       SER  12 -10.299  -7.714  -4.692
   88    H    ILE  13           HN       ILE  13  -7.928  -7.024  -0.448
   89    HA   ILE  13           HA       ILE  13  -5.435  -5.698  -1.100
   90    HB   ILE  13           HB       ILE  13  -7.334  -4.479  -0.043
   91   HG12  ILE  13          HG12      ILE  13  -4.766  -4.547   1.553
   92   HG13  ILE  13          HG11      ILE  13  -5.073  -3.574   0.118
   93   HG21  ILE  13          HG21      ILE  13  -6.633  -6.143   2.370
   94   HG22  ILE  13          HG22      ILE  13  -8.143  -6.192   1.461
   95   HG23  ILE  13          HG23      ILE  13  -7.712  -4.748   2.377
   96   HD11  ILE  13          HD11      ILE  13  -5.226  -2.272   2.177
   97   HD12  ILE  13          HD12      ILE  13  -6.528  -3.323   2.737
   98   HD13  ILE  13          HD13      ILE  13  -6.760  -2.313   1.310
   99    H    ASN  14           HN       ASN  14  -6.481  -8.374   0.806
  100    HA   ASN  14           HA       ASN  14  -4.199  -8.290   2.579
  101    HB2  ASN  14           HB2      ASN  14  -6.517 -10.145   2.295
  102    HB3  ASN  14           HB1      ASN  14  -5.200 -10.472   3.409
  103   HD21  ASN  14          HD21      ASN  14  -8.075  -9.847   3.849
  104   HD22  ASN  14          HD22      ASN  14  -8.076  -8.509   4.941
  105    H    SER  15           HN       SER  15  -5.196 -10.063  -0.289
  106    HA   SER  15           HA       SER  15  -3.033 -11.891  -0.291
  107    HB2  SER  15           HB2      SER  15  -4.461 -10.627  -2.651
  108    HB3  SER  15           HB1      SER  15  -3.436 -12.061  -2.717
  109    HG   SER  15           HG       SER  15  -5.327 -12.330  -0.807
  110    H    VAL  16           HN       VAL  16  -3.391  -8.542  -1.205
  111    HA   VAL  16           HA       VAL  16  -0.782  -8.190  -2.260
  112    HB   VAL  16           HB       VAL  16  -2.572  -6.121  -0.954
  113   HG11  VAL  16          HG11      VAL  16  -1.278  -4.538  -2.370
  114   HG12  VAL  16          HG12      VAL  16  -0.184  -5.858  -2.778
  115   HG13  VAL  16          HG13      VAL  16  -0.320  -5.310  -1.108
  116   HG21  VAL  16          HG21      VAL  16  -2.305  -6.893  -3.858
  117   HG22  VAL  16          HG22      VAL  16  -3.279  -5.567  -3.225
  118   HG23  VAL  16          HG23      VAL  16  -3.687  -7.234  -2.819
  119    H    ASN  17           HN       ASN  17  -2.180  -8.095   0.985
  120    HA   ASN  17           HA       ASN  17  -0.036  -6.921   2.360
  121    HB2  ASN  17           HB2      ASN  17  -2.268  -8.727   3.100
  122    HB3  ASN  17           HB1      ASN  17  -0.903  -8.688   4.206
  123   HD21  ASN  17          HD21      ASN  17  -3.480  -6.821   2.763
  124   HD22  ASN  17          HD22      ASN  17  -3.439  -5.536   3.922
  125    H    ASP  18           HN       ASP  18  -0.619 -10.329   1.567
  126    HA   ASP  18           HA       ASP  18   1.800 -11.251   2.766
  127    HB2  ASP  18           HB2      ASP  18  -0.316 -12.473   1.058
  128    HB3  ASP  18           HB1      ASP  18   1.232 -13.305   1.193
  129    H    LYS  19           HN       LYS  19   1.147  -9.691  -0.173
  130    HA   LYS  19           HA       LYS  19   3.408 -10.874  -1.579
  131    HB2  LYS  19           HB2      LYS  19   1.308 -10.324  -2.794
  132    HB3  LYS  19           HB1      LYS  19   1.546  -8.630  -2.406
  133    HG2  LYS  19           HG2      LYS  19   3.669 -10.106  -3.899
  134    HG3  LYS  19           HG1      LYS  19   2.217  -9.563  -4.744
  135    HD2  LYS  19           HD2      LYS  19   2.662  -7.263  -3.938
  136    HD3  LYS  19           HD1      LYS  19   4.158  -7.838  -3.202
  137    HE2  LYS  19           HE2      LYS  19   4.988  -8.508  -5.403
  138    HE3  LYS  19           HE1      LYS  19   3.486  -7.957  -6.142
  139    HZ1  LYS  19           HZ1      LYS  19   5.469  -6.262  -4.725
  140    HZ2  LYS  19           HZ2      LYS  19   3.995  -5.714  -5.345
  141    HZ3  LYS  19           HZ3      LYS  19   5.188  -6.292  -6.394
  142    H    LEU  20           HN       LEU  20   2.425  -7.897  -0.028
  143    HA   LEU  20           HA       LEU  20   4.814  -6.447  -0.629
  144    HB2  LEU  20           HB2      LEU  20   2.719  -5.988   1.493
  145    HB3  LEU  20           HB1      LEU  20   3.949  -4.829   1.014
  146    HG   LEU  20           HG       LEU  20   1.606  -5.814  -0.610
  147   HD11  LEU  20          HD11      LEU  20   0.946  -3.502  -0.632
  148   HD12  LEU  20          HD12      LEU  20   2.407  -3.039   0.234
  149   HD13  LEU  20          HD13      LEU  20   1.185  -4.028   1.036
  150   HD21  LEU  20          HD21      LEU  20   3.598  -5.700  -2.037
  151   HD22  LEU  20          HD22      LEU  20   3.856  -4.030  -1.529
  152   HD23  LEU  20          HD23      LEU  20   2.412  -4.463  -2.444
  153    H    ASN  21           HN       ASN  21   3.689  -8.430   2.041
  154    HA   ASN  21           HA       ASN  21   6.074  -8.011   3.588
  155    HB2  ASN  21           HB2      ASN  21   3.700  -9.835   3.815
  156    HB3  ASN  21           HB1      ASN  21   5.139 -10.145   4.787
  157   HD21  ASN  21          HD21      ASN  21   2.496  -7.920   4.187
  158   HD22  ASN  21          HD22      ASN  21   2.662  -7.041   5.673
  159    H    LYS  22           HN       LYS  22   7.473  -8.420   1.712
  160    HA   LYS  22           HA       LYS  22   7.597 -11.217   0.857
  161    HB2  LYS  22           HB2      LYS  22   9.036 -10.215  -1.017
  162    HB3  LYS  22           HB1      LYS  22   7.307  -9.886  -1.028
  163    HG2  LYS  22           HG2      LYS  22   8.136  -7.811  -1.490
  164    HG3  LYS  22           HG1      LYS  22   8.025  -7.721   0.265
  165    HD2  LYS  22           HD2      LYS  22  10.414  -8.306   0.422
  166    HD3  LYS  22           HD1      LYS  22  10.509  -8.338  -1.340
  167    HE2  LYS  22           HE2      LYS  22  10.075  -5.985   0.483
  168    HE3  LYS  22           HE1      LYS  22  11.306  -6.226  -0.757
  169    HZ1  LYS  22           HZ1      LYS  22   9.618  -4.670  -1.515
  170    HZ2  LYS  22           HZ2      LYS  22   8.413  -5.829  -1.276
  171    HZ3  LYS  22           HZ3      LYS  22   9.592  -6.077  -2.452
  172    H    GLY  23           HN       GLY  23   9.011  -9.601   3.209
  173    HA2  GLY  23           HA2      GLY  23  10.717 -10.990   4.335
  174    HA3  GLY  23           HA1      GLY  23  11.562 -11.027   2.792
  175    H    LYS  24           HN       LYS  24  12.053  -8.783   1.923
  176    HA   LYS  24           HA       LYS  24  13.319  -7.242   4.062
  177    HB2  LYS  24           HB2      LYS  24  13.957  -7.922   1.285
  178    HB3  LYS  24           HB1      LYS  24  14.227  -6.219   1.661
  179    HG2  LYS  24           HG2      LYS  24  15.349  -8.465   3.327
  180    HG3  LYS  24           HG1      LYS  24  16.195  -7.780   1.937
  181    HD2  LYS  24           HD2      LYS  24  15.163  -6.088   4.180
  182    HD3  LYS  24           HD1      LYS  24  16.766  -6.822   4.223
  183    HE2  LYS  24           HE2      LYS  24  15.778  -4.997   2.038
  184    HE3  LYS  24           HE1      LYS  24  16.753  -4.473   3.410
  185    HZ1  LYS  24           HZ1      LYS  24  18.172  -4.854   1.538
  186    HZ2  LYS  24           HZ2      LYS  24  17.554  -6.411   1.306
  187    HZ3  LYS  24           HZ3      LYS  24  18.472  -6.066   2.679
  188    H    GLY  25           HN       GLY  25  11.598  -5.931   4.741
  189    HA2  GLY  25           HA2      GLY  25  10.577  -3.810   4.577
  190    HA3  GLY  25           HA1      GLY  25  10.905  -3.819   2.864
  191    H    LYS  26           HN       LYS  26   8.496  -3.697   4.910
  192    HA   LYS  26           HA       LYS  26   6.693  -5.106   3.088
  193    HB2  LYS  26           HB2      LYS  26   5.663  -6.203   5.180
  194    HB3  LYS  26           HB1      LYS  26   7.157  -6.866   4.520
  195    HG2  LYS  26           HG2      LYS  26   8.308  -5.250   6.189
  196    HG3  LYS  26           HG1      LYS  26   6.738  -5.291   7.012
  197    HD2  LYS  26           HD2      LYS  26   8.219  -6.981   7.938
  198    HD3  LYS  26           HD1      LYS  26   6.878  -7.754   7.091
  199    HE2  LYS  26           HE2      LYS  26   8.246  -8.277   5.228
  200    HE3  LYS  26           HE1      LYS  26   9.555  -7.240   5.804
  201    HZ1  LYS  26           HZ1      LYS  26  10.121  -9.490   6.265
  202    HZ2  LYS  26           HZ2      LYS  26   8.622  -9.804   6.981
  203    HZ3  LYS  26           HZ3      LYS  26   9.726  -8.774   7.745
  204    H    LEU  27           HN       LEU  27   4.598  -4.405   3.104
  205    HA   LEU  27           HA       LEU  27   4.006  -2.100   4.845
  206    HB2  LEU  27           HB2      LEU  27   2.769  -2.699   2.130
  207    HB3  LEU  27           HB1      LEU  27   2.506  -1.271   3.118
  208    HG   LEU  27           HG       LEU  27   5.062  -0.885   2.786
  209   HD11  LEU  27          HD11      LEU  27   5.919  -1.704   0.663
  210   HD12  LEU  27          HD12      LEU  27   4.444  -2.636   0.411
  211   HD13  LEU  27          HD13      LEU  27   5.529  -3.046   1.738
  212   HD21  LEU  27          HD21      LEU  27   3.055  -0.484   0.575
  213   HD22  LEU  27          HD22      LEU  27   4.590   0.370   0.732
  214   HD23  LEU  27          HD23      LEU  27   3.331   0.588   1.948
  215    H    SER  28           HN       SER  28   2.714  -2.819   6.453
  216    HA   SER  28           HA       SER  28   0.767  -4.922   5.979
  217    HB2  SER  28           HB2      SER  28   1.362  -3.255   8.443
  218    HB3  SER  28           HB1      SER  28   0.238  -4.615   8.389
  219    HG   SER  28           HG       SER  28   1.863  -5.935   8.514
  220    H    LEU  29           HN       LEU  29  -1.205  -4.497   5.204
  221    HA   LEU  29           HA       LEU  29  -2.085  -1.690   5.133
  222    HB2  LEU  29           HB2      LEU  29  -3.137  -3.947   3.458
  223    HB3  LEU  29           HB1      LEU  29  -3.266  -2.221   3.156
  224    HG   LEU  29           HG       LEU  29  -0.668  -3.750   3.081
  225   HD11  LEU  29          HD11      LEU  29  -2.058  -4.611   1.342
  226   HD12  LEU  29          HD12      LEU  29  -0.894  -3.501   0.615
  227   HD13  LEU  29          HD13      LEU  29  -2.562  -2.989   0.873
  228   HD21  LEU  29          HD21      LEU  29  -0.425  -1.369   3.538
  229   HD22  LEU  29          HD22      LEU  29  -1.421  -0.987   2.134
  230   HD23  LEU  29          HD23      LEU  29   0.150  -1.760   1.918
  231    H    SER  30           HN       SER  30  -3.827  -1.032   6.157
  232    HA   SER  30           HA       SER  30  -6.035  -2.859   6.379
  233    HB2  SER  30           HB2      SER  30  -6.397  -2.232   8.811
  234    HB3  SER  30           HB1      SER  30  -5.022  -3.297   8.499
  235    HG   SER  30           HG       SER  30  -3.650  -1.539   8.700
  236    H    MET  31           HN       MET  31  -7.997  -1.862   6.224
  237    HA   MET  31           HA       MET  31  -7.975   1.083   6.094
  238    HB2  MET  31           HB2      MET  31  -9.518  -0.909   4.432
  239    HB3  MET  31           HB1      MET  31  -9.918   0.800   4.490
  240    HG2  MET  31           HG2      MET  31  -7.716   1.349   3.613
  241    HG3  MET  31           HG1      MET  31  -7.302  -0.363   3.568
  242    HE1  MET  31           HE1      MET  31 -10.580   1.565   0.947
  243    HE2  MET  31           HE2      MET  31  -9.626   2.445   2.141
  244    HE3  MET  31           HE3      MET  31 -10.804   1.242   2.665
  245    H    ASN  32           HN       ASN  32  -9.273   2.082   7.477
  246    HA   ASN  32           HA       ASN  32 -11.706   0.690   8.355
  247    HB2  ASN  32           HB2      ASN  32  -9.952   0.607  10.150
  248    HB3  ASN  32           HB1      ASN  32  -9.979   2.373  10.184
  249   HD21  ASN  32          HD21      ASN  32 -11.805   3.435  10.992
  250   HD22  ASN  32          HD22      ASN  32 -12.986   2.613  11.963
  251    H    GLY  33           HN       GLY  33 -12.966   1.868   6.969
  252    HA2  GLY  33           HA2      GLY  33 -14.431   3.564   6.504
  253    HA3  GLY  33           HA1      GLY  33 -13.884   4.358   7.976
  254    H    ASN  34           HN       ASN  34 -12.177   5.858   7.856
  255    HA   ASN  34           HA       ASN  34 -11.921   7.014   5.163
  256    HB2  ASN  34           HB2      ASN  34 -11.570   9.160   6.315
  257    HB3  ASN  34           HB1      ASN  34 -13.105   8.429   6.774
  258   HD21  ASN  34          HD21      ASN  34  -9.725   8.752   7.798
  259   HD22  ASN  34          HD22      ASN  34 -10.070   8.721   9.506
  260    H    GLN  35           HN       GLN  35 -10.073   4.976   6.390
  261    HA   GLN  35           HA       GLN  35  -7.657   6.594   6.427
  262    HB2  GLN  35           HB2      GLN  35  -8.384   6.403   8.762
  263    HB3  GLN  35           HB1      GLN  35  -8.376   4.646   8.619
  264    HG2  GLN  35           HG2      GLN  35  -5.959   4.734   8.126
  265    HG3  GLN  35           HG1      GLN  35  -6.003   6.478   8.379
  266   HE21  GLN  35          HE21      GLN  35  -7.926   6.269  10.581
  267   HE22  GLN  35          HE22      GLN  35  -7.022   5.679  11.939
  268    H    LEU  36           HN       LEU  36  -5.867   5.644   5.760
  269    HA   LEU  36           HA       LEU  36  -5.816   2.743   5.373
  270    HB2  LEU  36           HB2      LEU  36  -6.061   3.977   3.206
  271    HB3  LEU  36           HB1      LEU  36  -4.573   4.827   3.556
  272    HG   LEU  36           HG       LEU  36  -4.367   2.957   1.889
  273   HD11  LEU  36          HD11      LEU  36  -2.398   3.778   3.045
  274   HD12  LEU  36          HD12      LEU  36  -2.298   2.037   2.783
  275   HD13  LEU  36          HD13      LEU  36  -2.702   2.667   4.380
  276   HD21  LEU  36          HD21      LEU  36  -4.279   0.664   2.738
  277   HD22  LEU  36          HD22      LEU  36  -5.887   1.368   2.889
  278   HD23  LEU  36          HD23      LEU  36  -4.849   1.230   4.307
  279    H    LYS  37           HN       LYS  37  -4.549   2.156   7.032
  280    HA   LYS  37           HA       LYS  37  -2.091   3.740   7.550
  281    HB2  LYS  37           HB2      LYS  37  -2.097   2.583   9.779
  282    HB3  LYS  37           HB1      LYS  37  -3.446   3.683   9.527
  283    HG2  LYS  37           HG2      LYS  37  -4.930   1.825   9.120
  284    HG3  LYS  37           HG1      LYS  37  -3.586   0.688   9.236
  285    HD2  LYS  37           HD2      LYS  37  -3.234   1.368  11.571
  286    HD3  LYS  37           HD1      LYS  37  -4.598   2.482  11.444
  287    HE2  LYS  37           HE2      LYS  37  -6.096   0.609  10.999
  288    HE3  LYS  37           HE1      LYS  37  -4.739  -0.511  11.089
  289    HZ1  LYS  37           HZ1      LYS  37  -4.432   0.082  13.398
  290    HZ2  LYS  37           HZ2      LYS  37  -6.019  -0.445  13.147
  291    HZ3  LYS  37           HZ3      LYS  37  -5.694   1.206  13.317
  292    H    ALA  38           HN       ALA  38  -0.604   2.860   6.301
  293    HA   ALA  38           HA       ALA  38  -0.256  -0.056   6.366
  294    HB1  ALA  38           HB1      ALA  38   0.873   2.051   4.521
  295    HB2  ALA  38           HB2      ALA  38  -0.338   0.830   4.132
  296    HB3  ALA  38           HB3      ALA  38   1.323   0.347   4.474
  297    H    THR  39           HN       THR  39   1.174  -0.806   7.760
  298    HA   THR  39           HA       THR  39   3.228   1.031   8.764
  299    HB   THR  39           HB       THR  39   3.428  -0.441  10.697
  300    HG1  THR  39           HG1      THR  39   2.934  -2.420   9.722
  301   HG21  THR  39          HG21      THR  39   0.542   0.212  10.089
  302   HG22  THR  39          HG22      THR  39   1.725   1.316  10.787
  303   HG23  THR  39          HG23      THR  39   1.210  -0.109  11.690
  304    H    SER  40           HN       SER  40   5.355   0.491   8.670
  305    HA   SER  40           HA       SER  40   5.990  -1.786   6.925
  306    HB2  SER  40           HB2      SER  40   6.534   0.251   5.824
  307    HB3  SER  40           HB1      SER  40   7.324   0.890   7.262
  308    HG   SER  40           HG       SER  40   8.202  -1.433   5.906
  309    H    SER  41           HN       SER  41   6.890  -3.414   7.934
  310    HA   SER  41           HA       SER  41   8.490  -2.933  10.310
  311    HB2  SER  41           HB2      SER  41   6.864  -4.778  10.390
  312    HB3  SER  41           HB1      SER  41   7.645  -5.537   9.010
  313    HG   SER  41           HG       SER  41   8.374  -5.505  11.667
  314    H    ASN  42           HN       ASN  42  10.464  -4.544  10.368
  315    HA   ASN  42           HA       ASN  42  12.592  -4.943   9.695
  316    HB2  ASN  42           HB2      ASN  42  11.540  -4.180   6.978
  317    HB3  ASN  42           HB1      ASN  42  13.242  -4.501   7.264
  318   HD21  ASN  42          HD21      ASN  42  12.903  -6.600   9.151
  319   HD22  ASN  42          HD22      ASN  42  12.270  -7.967   8.292
  320    H    ALA  43           HN       ALA  43  11.408  -2.439  10.657
  321    HA   ALA  43           HA       ALA  43  12.120  -0.398  11.327
  322    HB1  ALA  43           HB1      ALA  43  14.502  -0.026  11.514
  323    HB2  ALA  43           HB2      ALA  43  14.818  -1.351  10.393
  324    HB3  ALA  43           HB3      ALA  43  14.103  -1.682  11.970
  325    H    GLY  44           HN       GLY  44  11.253  -0.795   8.520
  326    HA2  GLY  44           HA2      GLY  44  10.766   0.831   6.923
  327    HA3  GLY  44           HA1      GLY  44  12.024   1.851   7.613
  328    H    TYR  45           HN       TYR  45  13.090  -1.317   7.013
  329    HA   TYR  45           HA       TYR  45  14.941  -0.613   5.030
  330    HB2  TYR  45           HB2      TYR  45  13.849  -3.205   6.033
  331    HB3  TYR  45           HB1      TYR  45  14.828  -3.204   4.571
  332    HD1  TYR  45           HD1      TYR  45  16.287  -4.750   5.932
  333    HD2  TYR  45           HD2      TYR  45  15.745  -0.651   6.935
  334    HE1  TYR  45           HE1      TYR  45  18.336  -4.814   7.281
  335    HE2  TYR  45           HE2      TYR  45  17.796  -0.707   8.287
  336    HH   TYR  45           HH       TYR  45  19.162  -2.420   9.488
  337    H    GLY  46           HN       GLY  46  14.965  -0.784   2.844
  338    HA2  GLY  46           HA2      GLY  46  12.394  -0.812   1.507
  339    HA3  GLY  46           HA1      GLY  46  13.955  -0.462   0.781
  340    H    ILE  47           HN       ILE  47  12.963  -1.872  -0.922
  341    HA   ILE  47           HA       ILE  47  12.199  -4.497  -0.723
  342    HB   ILE  47           HB       ILE  47  14.070  -3.713  -2.896
  343   HG12  ILE  47          HG12      ILE  47  11.161  -2.906  -2.742
  344   HG13  ILE  47          HG11      ILE  47  12.526  -1.802  -2.556
  345   HG21  ILE  47          HG21      ILE  47  11.571  -5.397  -2.829
  346   HG22  ILE  47          HG22      ILE  47  13.234  -5.978  -2.918
  347   HG23  ILE  47          HG23      ILE  47  12.540  -5.079  -4.268
  348   HD11  ILE  47          HD11      ILE  47  11.660  -1.614  -4.774
  349   HD12  ILE  47          HD12      ILE  47  11.783  -3.355  -5.015
  350   HD13  ILE  47          HD13      ILE  47  13.243  -2.383  -4.843
  351    H    SER  48           HN       SER  48  15.433  -3.389  -1.582
  352    HA   SER  48           HA       SER  48  16.926  -5.008   0.021
  353    HB2  SER  48           HB2      SER  48  15.748  -6.870  -1.234
  354    HB3  SER  48           HB1      SER  48  16.601  -6.330  -2.684
  355    HG   SER  48           HG       SER  48  17.591  -8.084  -1.374
  356    H    TYR  49           HN       TYR  49  17.035  -4.618  -3.531
  357    HA   TYR  49           HA       TYR  49  18.739  -2.334  -3.411
  358    HB2  TYR  49           HB2      TYR  49  20.261  -4.304  -2.817
  359    HB3  TYR  49           HB1      TYR  49  20.022  -4.852  -4.470
  360    HD1  TYR  49           HD1      TYR  49  20.403  -1.343  -3.343
  361    HD2  TYR  49           HD2      TYR  49  22.250  -4.633  -5.323
  362    HE1  TYR  49           HE1      TYR  49  22.244   0.115  -4.044
  363    HE2  TYR  49           HE2      TYR  49  24.090  -3.173  -6.028
  364    HH   TYR  49           HH       TYR  49  24.445   0.065  -4.797
  365    H    GLU  50           HN       GLU  50  16.436  -2.381  -4.677
  366    HA   GLU  50           HA       GLU  50  17.112  -2.247  -7.477
  367    HB2  GLU  50           HB2      GLU  50  15.097  -3.738  -8.073
  368    HB3  GLU  50           HB1      GLU  50  16.584  -4.536  -7.562
  369    HG2  GLU  50           HG2      GLU  50  15.577  -4.621  -5.243
  370    HG3  GLU  50           HG1      GLU  50  14.057  -4.123  -5.992
  371    H    ASP  51           HN       ASP  51  15.563  -1.165  -8.755
  372    HA   ASP  51           HA       ASP  51  13.864   0.592  -7.148
  373    HB2  ASP  51           HB2      ASP  51  13.874   2.097  -9.065
  374    HB3  ASP  51           HB1      ASP  51  15.528   1.647  -8.650
  375    H    LYS  52           HN       LYS  52  11.708   0.540  -7.242
  376    HA   LYS  52           HA       LYS  52  10.469  -1.038  -9.373
  377    HB2  LYS  52           HB2      LYS  52  10.427  -1.410  -6.497
  378    HB3  LYS  52           HB1      LYS  52   8.806  -1.313  -7.178
  379    HG2  LYS  52           HG2      LYS  52   9.507  -3.586  -7.038
  380    HG3  LYS  52           HG1      LYS  52   9.419  -3.124  -8.736
  381    HD2  LYS  52           HD2      LYS  52  11.882  -2.733  -8.685
  382    HD3  LYS  52           HD1      LYS  52  11.904  -3.369  -7.041
  383    HE2  LYS  52           HE2      LYS  52  12.547  -5.090  -8.628
  384    HE3  LYS  52           HE1      LYS  52  11.019  -5.500  -7.851
  385    HZ1  LYS  52           HZ1      LYS  52  11.318  -4.314 -10.557
  386    HZ2  LYS  52           HZ2      LYS  52   9.852  -4.724  -9.814
  387    HZ3  LYS  52           HZ3      LYS  52  10.957  -5.932 -10.224
  388    H    ASN  53           HN       ASN  53   8.793  -0.134 -10.319
  389    HA   ASN  53           HA       ASN  53   8.059   2.565  -9.573
  390    HB2  ASN  53           HB2      ASN  53   8.461   2.294 -11.892
  391    HB3  ASN  53           HB1      ASN  53   7.517   0.808 -11.956
  392   HD21  ASN  53          HD21      ASN  53   6.110   1.322 -13.442
  393   HD22  ASN  53          HD22      ASN  53   4.916   2.579 -13.308
  394    H    TRP  54           HN       TRP  54   6.554   2.810  -8.097
  395    HA   TRP  54           HA       TRP  54   4.483   0.748  -7.843
  396    HB2  TRP  54           HB2      TRP  54   6.351   1.874  -6.033
  397    HB3  TRP  54           HB1      TRP  54   4.722   2.350  -5.535
  398    HD1  TRP  54           HD1      TRP  54   6.934  -0.716  -5.894
  399    HE1  TRP  54           HE1      TRP  54   5.753  -2.677  -4.677
  400    HE3  TRP  54           HE3      TRP  54   2.532   1.542  -5.059
  401    HZ2  TRP  54           HZ2      TRP  54   3.141  -3.139  -3.532
  402    HZ3  TRP  54           HZ3      TRP  54   0.738   0.354  -3.959
  403    HH2  TRP  54           HH2      TRP  54   1.032  -1.952  -3.175
  404    H    GLY  55           HN       GLY  55   2.377   1.466  -6.896
  405    HA2  GLY  55           HA2      GLY  55   1.874   4.260  -6.675
  406    HA3  GLY  55           HA1      GLY  55   1.221   3.589  -8.140
  407    H    ILE  56           HN       ILE  56  -0.354   4.840  -6.353
  408    HA   ILE  56           HA       ILE  56  -2.071   2.600  -5.511
  409    HB   ILE  56           HB       ILE  56  -1.769   5.219  -4.029
  410   HG12  ILE  56          HG12      ILE  56  -0.934   2.410  -3.353
  411   HG13  ILE  56          HG11      ILE  56   0.144   3.755  -3.724
  412   HG21  ILE  56          HG21      ILE  56  -4.051   4.303  -3.969
  413   HG22  ILE  56          HG22      ILE  56  -3.276   4.229  -2.388
  414   HG23  ILE  56          HG23      ILE  56  -3.411   2.772  -3.373
  415   HD11  ILE  56          HD11      ILE  56   0.045   3.270  -1.334
  416   HD12  ILE  56          HD12      ILE  56  -1.686   3.613  -1.343
  417   HD13  ILE  56          HD13      ILE  56  -0.529   4.894  -1.709
  418    H    PHE  57           HN       PHE  57  -4.082   2.681  -6.261
  419    HA   PHE  57           HA       PHE  57  -5.015   5.211  -7.444
  420    HB2  PHE  57           HB2      PHE  57  -5.544   2.453  -8.570
  421    HB3  PHE  57           HB1      PHE  57  -6.008   3.995  -9.285
  422    HD1  PHE  57           HD1      PHE  57  -4.257   5.506 -10.186
  423    HD2  PHE  57           HD2      PHE  57  -3.388   1.555  -8.871
  424    HE1  PHE  57           HE1      PHE  57  -2.121   5.574 -11.407
  425    HE2  PHE  57           HE2      PHE  57  -1.252   1.615 -10.088
  426    HZ   PHE  57           HZ       PHE  57  -0.617   3.625 -11.354
  427    H    VAL  58           HN       VAL  58  -6.801   5.911  -6.522
  428    HA   VAL  58           HA       VAL  58  -8.689   3.926  -5.443
  429    HB   VAL  58           HB       VAL  58  -7.889   5.361  -3.664
  430   HG11  VAL  58          HG11      VAL  58  -8.830   7.677  -5.344
  431   HG12  VAL  58          HG12      VAL  58  -7.160   7.285  -4.938
  432   HG13  VAL  58          HG13      VAL  58  -8.282   7.785  -3.672
  433   HG21  VAL  58          HG21      VAL  58 -10.209   4.675  -3.555
  434   HG22  VAL  58          HG22      VAL  58 -10.691   6.090  -4.491
  435   HG23  VAL  58          HG23      VAL  58 -10.016   6.292  -2.874
  436    H    ASN  59           HN       ASN  59 -10.462   3.653  -6.577
  437    HA   ASN  59           HA       ASN  59 -12.009   3.856  -8.235
  438    HB2  ASN  59           HB2      ASN  59 -11.733   6.801  -7.604
  439    HB3  ASN  59           HB1      ASN  59 -12.904   6.160  -8.748
  440   HD21  ASN  59          HD21      ASN  59 -12.133   6.693  -5.466
  441   HD22  ASN  59          HD22      ASN  59 -13.598   6.070  -4.794
  442    H    GLY  60           HN       GLY  60  -9.219   3.735  -8.879
  443    HA2  GLY  60           HA2      GLY  60  -8.003   3.659 -10.831
  444    HA3  GLY  60           HA1      GLY  60  -9.383   4.368 -11.663
  445    H    GLU  61           HN       GLU  61  -8.238   6.096  -8.929
  446    HA   GLU  61           HA       GLU  61  -6.997   8.062 -10.737
  447    HB2  GLU  61           HB2      GLU  61  -9.130   8.370  -8.981
  448    HB3  GLU  61           HB1      GLU  61  -7.765   9.071  -8.117
  449    HG2  GLU  61           HG2      GLU  61  -8.695   9.827 -10.880
  450    HG3  GLU  61           HG1      GLU  61  -8.959  10.748  -9.397
  451    H    LYS  62           HN       LYS  62  -5.053   8.975 -10.201
  452    HA   LYS  62           HA       LYS  62  -3.317   7.437  -8.531
  453    HB2  LYS  62           HB2      LYS  62  -3.005   9.904 -10.204
  454    HB3  LYS  62           HB1      LYS  62  -1.740   9.454  -9.066
  455    HG2  LYS  62           HG2      LYS  62  -1.355   7.392 -10.185
  456    HG3  LYS  62           HG1      LYS  62  -2.793   7.603 -11.190
  457    HD2  LYS  62           HD2      LYS  62  -0.708   8.099 -12.407
  458    HD3  LYS  62           HD1      LYS  62  -1.780   9.493 -12.308
  459    HE2  LYS  62           HE2      LYS  62   0.443  10.253 -11.902
  460    HE3  LYS  62           HE1      LYS  62  -0.429  10.300 -10.375
  461    HZ1  LYS  62           HZ1      LYS  62   1.358   8.074 -11.171
  462    HZ2  LYS  62           HZ2      LYS  62   0.680   8.344  -9.644
  463    HZ3  LYS  62           HZ3      LYS  62   1.862   9.390 -10.242
  464    H    VAL  63           HN       VAL  63  -3.819   7.545  -6.400
  465    HA   VAL  63           HA       VAL  63  -4.106  10.133  -5.113
  466    HB   VAL  63           HB       VAL  63  -5.518   8.727  -3.983
  467   HG11  VAL  63          HG11      VAL  63  -5.083   6.352  -3.517
  468   HG12  VAL  63          HG12      VAL  63  -3.528   6.497  -4.336
  469   HG13  VAL  63          HG13      VAL  63  -5.025   6.727  -5.239
  470   HG21  VAL  63          HG21      VAL  63  -2.945   8.168  -2.507
  471   HG22  VAL  63          HG22      VAL  63  -4.577   8.044  -1.845
  472   HG23  VAL  63          HG23      VAL  63  -3.938   9.616  -2.325
  473    H    TYR  64           HN       TYR  64  -1.771   7.510  -5.346
  474    HA   TYR  64           HA       TYR  64   0.335   9.298  -4.512
  475    HB2  TYR  64           HB2      TYR  64  -0.649   8.313  -2.387
  476    HB3  TYR  64           HB1      TYR  64  -0.084   6.741  -2.951
  477    HD1  TYR  64           HD1      TYR  64   1.129  10.174  -2.159
  478    HD2  TYR  64           HD2      TYR  64   2.072   6.037  -2.421
  479    HE1  TYR  64           HE1      TYR  64   3.319  10.615  -1.136
  480    HE2  TYR  64           HE2      TYR  64   4.267   6.460  -1.400
  481    HH   TYR  64           HH       TYR  64   5.844   8.385  -1.156
  482    H    THR  65           HN       THR  65   2.419   8.492  -5.017
  483    HA   THR  65           HA       THR  65   2.657   5.908  -6.329
  484    HB   THR  65           HB       THR  65   3.193   8.541  -7.733
  485    HG1  THR  65           HG1      THR  65   1.063   7.034  -7.639
  486   HG21  THR  65          HG21      THR  65   3.839   5.743  -8.671
  487   HG22  THR  65          HG22      THR  65   5.010   6.987  -8.228
  488   HG23  THR  65          HG23      THR  65   3.976   7.210  -9.640
  489    H    PHE  66           HN       PHE  66   4.885   5.143  -6.264
  490    HA   PHE  66           HA       PHE  66   6.914   6.910  -5.235
  491    HB2  PHE  66           HB2      PHE  66   7.231   5.840  -3.079
  492    HB3  PHE  66           HB1      PHE  66   5.601   6.480  -3.200
  493    HD1  PHE  66           HD1      PHE  66   7.629   3.404  -3.189
  494    HD2  PHE  66           HD2      PHE  66   3.704   5.042  -3.057
  495    HE1  PHE  66           HE1      PHE  66   6.745   1.217  -2.484
  496    HE2  PHE  66           HE2      PHE  66   2.815   2.860  -2.350
  497    HZ   PHE  66           HZ       PHE  66   4.339   0.948  -2.052
  498    H    ASN  67           HN       ASN  67   8.830   5.469  -4.363
  499    HA   ASN  67           HA       ASN  67   9.177   3.178  -6.189
  500    HB2  ASN  67           HB2      ASN  67  10.609   5.221  -6.668
  501    HB3  ASN  67           HB1      ASN  67  11.382   4.948  -5.110
  502   HD21  ASN  67          HD21      ASN  67  12.483   4.917  -7.804
  503   HD22  ASN  67          HD22      ASN  67  13.218   3.367  -8.005
  504    H    GLU  68           HN       GLU  68   9.639   1.302  -5.260
  505    HA   GLU  68           HA       GLU  68   9.132   0.970  -2.528
  506    HB2  GLU  68           HB2      GLU  68   9.617  -0.675  -4.824
  507    HB3  GLU  68           HB1      GLU  68  10.369  -1.360  -3.407
  508    HG2  GLU  68           HG2      GLU  68   8.014  -0.939  -2.349
  509    HG3  GLU  68           HG1      GLU  68   7.522  -0.915  -4.048
  510    H    LYS  69           HN       LYS  69  12.170   1.415  -4.179
  511    HA   LYS  69           HA       LYS  69  13.709   0.043  -2.179
  512    HB2  LYS  69           HB2      LYS  69  15.670   0.832  -3.353
  513    HB3  LYS  69           HB1      LYS  69  14.494   0.190  -4.492
  514    HG2  LYS  69           HG2      LYS  69  13.747   2.556  -4.875
  515    HG3  LYS  69           HG1      LYS  69  15.167   3.058  -3.951
  516    HD2  LYS  69           HD2      LYS  69  15.955   1.097  -5.876
  517    HD3  LYS  69           HD1      LYS  69  15.060   2.379  -6.693
  518    HE2  LYS  69           HE2      LYS  69  17.402   2.799  -4.840
  519    HE3  LYS  69           HE1      LYS  69  17.493   2.789  -6.600
  520    HZ1  LYS  69           HZ1      LYS  69  15.948   4.708  -4.943
  521    HZ2  LYS  69           HZ2      LYS  69  15.976   4.687  -6.632
  522    HZ3  LYS  69           HZ3      LYS  69  17.386   5.036  -5.768
  523    H    SER  70           HN       SER  70  12.153   2.966  -2.130
  524    HA   SER  70           HA       SER  70  14.034   4.387  -0.517
  525    HB2  SER  70           HB2      SER  70  11.034   4.773  -0.542
  526    HB3  SER  70           HB1      SER  70  12.275   5.961  -0.152
  527    HG   SER  70           HG       SER  70  11.212   5.330  -2.550
  528    H    THR  71           HN       THR  71  12.612   5.027   1.837
  529    HA   THR  71           HA       THR  71  12.757   2.442   3.155
  530    HB   THR  71           HB       THR  71  12.607   3.740   5.264
  531    HG1  THR  71           HG1      THR  71  11.944   5.777   3.489
  532   HG21  THR  71          HG21      THR  71  14.756   4.859   5.118
  533   HG22  THR  71          HG22      THR  71  14.638   4.905   3.360
  534   HG23  THR  71          HG23      THR  71  14.799   3.360   4.191
  535    H    VAL  72           HN       VAL  72  11.010   1.285   3.433
  536    HA   VAL  72           HA       VAL  72   8.544   2.028   2.401
  537    HB   VAL  72           HB       VAL  72   8.939  -0.192   4.413
  538   HG11  VAL  72          HG11      VAL  72   7.186  -1.304   3.175
  539   HG12  VAL  72          HG12      VAL  72   7.071   0.066   2.065
  540   HG13  VAL  72          HG13      VAL  72   6.632   0.266   3.762
  541   HG21  VAL  72          HG21      VAL  72  10.700  -0.371   2.752
  542   HG22  VAL  72          HG22      VAL  72   9.523  -0.209   1.450
  543   HG23  VAL  72          HG23      VAL  72   9.497  -1.632   2.492
  544    H    GLY  73           HN       GLY  73   9.864   2.780   5.450
  545    HA2  GLY  73           HA2      GLY  73   7.307   2.947   6.826
  546    HA3  GLY  73           HA1      GLY  73   8.872   3.467   7.461
  547    H    ASN  74           HN       ASN  74   9.681   5.257   5.528
  548    HA   ASN  74           HA       ASN  74   8.025   7.514   6.043
  549    HB2  ASN  74           HB2      ASN  74  10.382   7.100   4.204
  550    HB3  ASN  74           HB1      ASN  74   9.506   8.625   4.272
  551   HD21  ASN  74          HD21      ASN  74  11.740   6.531   5.857
  552   HD22  ASN  74          HD22      ASN  74  12.147   7.610   7.155
  553    H    ILE  75           HN       ILE  75   8.286   5.172   3.487
  554    HA   ILE  75           HA       ILE  75   6.649   6.474   1.585
  555    HB   ILE  75           HB       ILE  75   7.147   3.534   2.065
  556   HG12  ILE  75          HG12      ILE  75   8.204   5.407  -0.069
  557   HG13  ILE  75          HG11      ILE  75   9.120   4.835   1.325
  558   HG21  ILE  75          HG21      ILE  75   6.172   3.147  -0.144
  559   HG22  ILE  75          HG22      ILE  75   5.739   4.852  -0.250
  560   HG23  ILE  75          HG23      ILE  75   4.995   3.827   0.977
  561   HD11  ILE  75          HD11      ILE  75   9.612   3.634  -0.790
  562   HD12  ILE  75          HD12      ILE  75   7.959   3.030  -0.778
  563   HD13  ILE  75          HD13      ILE  75   9.067   2.590   0.519
  564    H    SER  76           HN       SER  76   5.816   3.748   3.742
  565    HA   SER  76           HA       SER  76   3.132   3.712   3.017
  566    HB2  SER  76           HB2      SER  76   4.199   2.714   5.643
  567    HB3  SER  76           HB1      SER  76   2.784   2.136   4.768
  568    HG   SER  76           HG       SER  76   5.509   1.774   4.138
  569    H    ASN  77           HN       ASN  77   4.655   5.144   5.831
  570    HA   ASN  77           HA       ASN  77   2.096   5.841   6.901
  571    HB2  ASN  77           HB2      ASN  77   4.880   6.388   7.870
  572    HB3  ASN  77           HB1      ASN  77   3.451   7.056   8.667
  573   HD21  ASN  77          HD21      ASN  77   1.739   4.867   8.131
  574   HD22  ASN  77          HD22      ASN  77   2.220   3.547   9.133
  575    H    ASP  78           HN       ASP  78   4.231   7.500   4.741
  576    HA   ASP  78           HA       ASP  78   3.037  10.069   5.109
  577    HB2  ASP  78           HB2      ASP  78   4.477   8.770   2.834
  578    HB3  ASP  78           HB1      ASP  78   3.532  10.226   2.529
  579    H    ILE  79           HN       ILE  79   2.288   7.236   3.182
  580    HA   ILE  79           HA       ILE  79  -0.041   8.114   1.911
  581    HB   ILE  79           HB       ILE  79   0.522   5.346   2.999
  582   HG12  ILE  79          HG12      ILE  79   1.108   6.448   0.244
  583   HG13  ILE  79          HG11      ILE  79   2.316   6.243   1.513
  584   HG21  ILE  79          HG21      ILE  79  -1.808   5.649   2.382
  585   HG22  ILE  79          HG22      ILE  79  -0.997   4.574   1.241
  586   HG23  ILE  79          HG23      ILE  79  -1.325   6.248   0.794
  587   HD11  ILE  79          HD11      ILE  79   1.973   3.855   1.491
  588   HD12  ILE  79          HD12      ILE  79   2.334   4.425  -0.138
  589   HD13  ILE  79          HD13      ILE  79   0.676   4.025   0.313
  590    H    ASN  80           HN       ASN  80   0.633   7.201   5.173
  591    HA   ASN  80           HA       ASN  80  -2.089   6.889   5.933
  592    HB2  ASN  80           HB2      ASN  80   0.425   7.183   7.578
  593    HB3  ASN  80           HB1      ASN  80  -1.163   6.927   8.285
  594   HD21  ASN  80          HD21      ASN  80  -0.192   5.071   9.231
  595   HD22  ASN  80          HD22      ASN  80  -0.048   3.610   8.321
  596    H    LYS  81           HN       LYS  81   0.272   9.484   6.104
  597    HA   LYS  81           HA       LYS  81  -1.121  11.335   7.626
  598    HB2  LYS  81           HB2      LYS  81   0.387  11.934   5.069
  599    HB3  LYS  81           HB1      LYS  81   0.042  13.069   6.366
  600    HG2  LYS  81           HG2      LYS  81   1.655  10.616   6.918
  601    HG3  LYS  81           HG1      LYS  81   2.400  12.015   6.149
  602    HD2  LYS  81           HD2      LYS  81   2.822  12.332   8.420
  603    HD3  LYS  81           HD1      LYS  81   1.428  13.361   8.106
  604    HE2  LYS  81           HE2      LYS  81  -0.052  11.709   9.055
  605    HE3  LYS  81           HE1      LYS  81   1.284  10.578   9.256
  606    HZ1  LYS  81           HZ1      LYS  81   0.728  11.700  11.322
  607    HZ2  LYS  81           HZ2      LYS  81   1.025  13.204  10.614
  608    HZ3  LYS  81           HZ3      LYS  81   2.292  12.105  10.824
  609    H    LEU  82           HN       LEU  82  -1.424  10.476   4.256
  610    HA   LEU  82           HA       LEU  82  -3.302  12.324   3.385
  611    HB2  LEU  82           HB2      LEU  82  -3.467   9.490   2.461
  612    HB3  LEU  82           HB1      LEU  82  -3.544  10.971   1.523
  613    HG   LEU  82           HG       LEU  82  -1.037   9.717   2.702
  614   HD11  LEU  82          HD11      LEU  82  -0.442   9.400   0.331
  615   HD12  LEU  82          HD12      LEU  82  -2.016  10.028  -0.152
  616   HD13  LEU  82          HD13      LEU  82  -1.911   8.525   0.763
  617   HD21  LEU  82          HD21      LEU  82  -0.917  12.178   2.697
  618   HD22  LEU  82          HD22      LEU  82  -1.361  12.206   0.990
  619   HD23  LEU  82          HD23      LEU  82   0.166  11.481   1.491
  620    H    ASN  83           HN       ASN  83  -3.668   9.492   5.359
  621    HA   ASN  83           HA       ASN  83  -5.462   8.111   5.836
  622    HB2  ASN  83           HB2      ASN  83  -5.735  10.726   7.005
  623    HB3  ASN  83           HB1      ASN  83  -7.314   9.978   6.775
  624   HD21  ASN  83          HD21      ASN  83  -4.306   8.218   7.321
  625   HD22  ASN  83          HD22      ASN  83  -4.749   7.575   8.870
  626    H    ILE  84           HN       ILE  84  -5.995   7.381   3.820
  627    HA   ILE  84           HA       ILE  84  -7.517   8.857   1.959
  628    HB   ILE  84           HB       ILE  84  -7.224   5.866   1.982
  629   HG12  ILE  84          HG12      ILE  84  -5.283   7.978   1.029
  630   HG13  ILE  84          HG11      ILE  84  -5.040   6.836   2.359
  631   HG21  ILE  84          HG21      ILE  84  -8.758   6.818   0.315
  632   HG22  ILE  84          HG22      ILE  84  -7.330   6.119  -0.448
  633   HG23  ILE  84          HG23      ILE  84  -7.468   7.866  -0.269
  634   HD11  ILE  84          HD11      ILE  84  -3.859   6.219   0.261
  635   HD12  ILE  84          HD12      ILE  84  -5.436   6.038  -0.519
  636   HD13  ILE  84          HD13      ILE  84  -4.991   4.992   0.829
  637    H    LYS  85           HN       LYS  85  -9.558   9.185   1.857
  638    HA   LYS  85           HA       LYS  85 -11.432   7.575   3.413
  639    HB2  LYS  85           HB2      LYS  85 -13.093   9.315   2.748
  640    HB3  LYS  85           HB1      LYS  85 -11.702   9.969   3.602
  641    HG2  LYS  85           HG2      LYS  85 -10.972  10.084   0.898
  642    HG3  LYS  85           HG1      LYS  85 -12.666  10.592   0.958
  643    HD2  LYS  85           HD2      LYS  85 -11.341  12.550   1.205
  644    HD3  LYS  85           HD1      LYS  85 -12.021  12.191   2.790
  645    HE2  LYS  85           HE2      LYS  85  -9.317  11.121   2.103
  646    HE3  LYS  85           HE1      LYS  85  -9.479  12.828   2.505
  647    HZ1  LYS  85           HZ1      LYS  85 -10.390  10.600   4.242
  648    HZ2  LYS  85           HZ2      LYS  85 -10.394  12.242   4.630
  649    HZ3  LYS  85           HZ3      LYS  85  -8.928  11.422   4.427
  650    H    GLY  86           HN       GLY  86 -10.108   6.354   1.302
  651    HA2  GLY  86           HA2      GLY  86 -11.682   6.437  -1.099
  652    HA3  GLY  86           HA1      GLY  86 -10.294   5.411  -0.785
  653    HA   PRO  87           HA       PRO  87 -14.339   3.026   0.052
  654    HB2  PRO  87           HB2      PRO  87 -15.482   2.541  -2.310
  655    HB3  PRO  87           HB1      PRO  87 -15.799   4.061  -1.453
  656    HG2  PRO  87           HG2      PRO  87 -13.842   3.513  -3.668
  657    HG3  PRO  87           HG1      PRO  87 -15.037   4.828  -3.549
  658    HD2  PRO  87           HD2      PRO  87 -12.428   5.163  -2.890
  659    HD3  PRO  87           HD1      PRO  87 -13.736   6.030  -2.054
  660    H    TYR  88           HN       TYR  88 -12.449   2.728  -2.964
  661    HA   TYR  88           HA       TYR  88 -11.487   0.182  -1.985
  662    HB2  TYR  88           HB2      TYR  88 -11.693  -0.870  -4.229
  663    HB3  TYR  88           HB1      TYR  88 -13.241  -0.543  -3.456
  664    HD1  TYR  88           HD1      TYR  88 -11.081   0.166  -6.289
  665    HD2  TYR  88           HD2      TYR  88 -14.673   1.289  -4.311
  666    HE1  TYR  88           HE1      TYR  88 -11.826   1.335  -8.319
  667    HE2  TYR  88           HE2      TYR  88 -15.427   2.464  -6.335
  668    HH   TYR  88           HH       TYR  88 -14.409   3.510  -8.347
  669    H    ILE  89           HN       ILE  89  -9.378  -0.098  -2.270
  670    HA   ILE  89           HA       ILE  89  -7.982   2.042  -3.722
  671    HB   ILE  89           HB       ILE  89  -7.334   0.857  -1.027
  672   HG12  ILE  89          HG12      ILE  89  -8.038   3.647  -1.935
  673   HG13  ILE  89          HG11      ILE  89  -9.085   2.557  -1.027
  674   HG21  ILE  89          HG21      ILE  89  -5.388   2.346  -0.993
  675   HG22  ILE  89          HG22      ILE  89  -5.727   2.820  -2.658
  676   HG23  ILE  89          HG23      ILE  89  -5.272   1.156  -2.291
  677   HD11  ILE  89          HD11      ILE  89  -8.119   4.236   0.428
  678   HD12  ILE  89          HD12      ILE  89  -6.495   3.738  -0.049
  679   HD13  ILE  89          HD13      ILE  89  -7.529   2.629   0.854
  680    H    GLU  90           HN       GLU  90  -6.614   1.406  -5.177
  681    HA   GLU  90           HA       GLU  90  -5.706  -1.367  -5.203
  682    HB2  GLU  90           HB2      GLU  90  -5.632   0.803  -7.289
  683    HB3  GLU  90           HB1      GLU  90  -4.985  -0.823  -7.517
  684    HG2  GLU  90           HG2      GLU  90  -7.850  -0.223  -6.817
  685    HG3  GLU  90           HG1      GLU  90  -7.262  -0.480  -8.468
  686    H    ILE  91           HN       ILE  91  -4.040  -1.442  -3.807
  687    HA   ILE  91           HA       ILE  91  -1.826   0.409  -4.244
  688    HB   ILE  91           HB       ILE  91  -2.752  -0.046  -1.909
  689   HG12  ILE  91          HG12      ILE  91   0.187  -0.625  -2.263
  690   HG13  ILE  91          HG11      ILE  91  -0.529   0.978  -2.356
  691   HG21  ILE  91          HG21      ILE  91  -2.991  -2.477  -2.128
  692   HG22  ILE  91          HG22      ILE  91  -2.027  -2.010  -0.728
  693   HG23  ILE  91          HG23      ILE  91  -1.230  -2.624  -2.178
  694   HD11  ILE  91          HD11      ILE  91  -0.552  -0.824   0.048
  695   HD12  ILE  91          HD12      ILE  91  -1.252   0.792  -0.043
  696   HD13  ILE  91          HD13      ILE  91   0.491   0.577  -0.193
  697    H    LYS  92           HN       LYS  92  -0.567  -0.221  -5.875
  698    HA   LYS  92           HA       LYS  92   0.640  -2.817  -5.949
  699    HB2  LYS  92           HB2      LYS  92  -0.330  -3.508  -8.124
  700    HB3  LYS  92           HB1      LYS  92  -1.531  -3.451  -6.841
  701    HG2  LYS  92           HG2      LYS  92  -2.713  -2.414  -8.476
  702    HG3  LYS  92           HG1      LYS  92  -1.884  -1.007  -7.802
  703    HD2  LYS  92           HD2      LYS  92  -0.433  -0.835  -9.585
  704    HD3  LYS  92           HD1      LYS  92  -0.596  -2.539 -10.020
  705    HE2  LYS  92           HE2      LYS  92  -2.769  -0.470 -10.331
  706    HE3  LYS  92           HE1      LYS  92  -1.681  -0.983 -11.625
  707    HZ1  LYS  92           HZ1      LYS  92  -3.512  -2.792 -10.141
  708    HZ2  LYS  92           HZ2      LYS  92  -2.539  -3.209 -11.459
  709    HZ3  LYS  92           HZ3      LYS  92  -3.832  -2.136 -11.666
  710    H    GLN  93           HN       GLN  93   1.968  -3.051  -8.023
  711    HA   GLN  93           HA       GLN  93   3.047  -0.394  -8.580
  712    HB2  GLN  93           HB2      GLN  93   4.810  -2.239  -9.670
  713    HB3  GLN  93           HB1      GLN  93   4.996  -1.324  -8.176
  714    HG2  GLN  93           HG2      GLN  93   3.922  -3.151  -6.943
  715    HG3  GLN  93           HG1      GLN  93   3.779  -4.067  -8.446
  716   HE21  GLN  93          HE21      GLN  93   6.550  -2.076  -7.793
  717   HE22  GLN  93          HE22      GLN  93   7.661  -3.373  -7.522
  718    H    ILE  94           HN       ILE  94   4.050  -0.132 -10.765
  719    HA   ILE  94           HA       ILE  94   2.032  -0.943 -12.737
  720    HB   ILE  94           HB       ILE  94   2.346   1.571 -13.476
  721   HG12  ILE  94          HG12      ILE  94   3.064   1.528 -10.542
  722   HG13  ILE  94          HG11      ILE  94   4.005   2.202 -11.868
  723   HG21  ILE  94          HG21      ILE  94   0.351   2.137 -12.211
  724   HG22  ILE  94          HG22      ILE  94   0.621   0.762 -11.142
  725   HG23  ILE  94          HG23      ILE  94   0.236   0.495 -12.842
  726   HD11  ILE  94          HD11      ILE  94   2.329   3.947 -12.155
  727   HD12  ILE  94          HD12      ILE  94   3.006   3.935 -10.525
  728   HD13  ILE  94          HD13      ILE  94   1.403   3.265 -10.819
  Start of MODEL   10
    1    H    ASP   1           HT1      ASP   1 -12.770 -10.895 -11.409
    2    HA   ASP   1           HA       ASP   1 -13.941  -8.854 -11.652
    3    HB2  ASP   1           HB2      ASP   1 -14.728  -9.131 -13.936
    4    HB3  ASP   1           HB1      ASP   1 -15.765 -10.467 -13.450
    5    H    ASN   2           HN       ASN   2 -14.529  -8.769  -9.584
    6    HA   ASN   2           HA       ASN   2 -17.026  -9.887  -8.789
    7    HB2  ASN   2           HB2      ASN   2 -16.374 -11.398  -7.081
    8    HB3  ASN   2           HB1      ASN   2 -15.436 -11.848  -8.500
    9   HD21  ASN   2          HD21      ASN   2 -13.217 -11.509  -8.504
   10   HD22  ASN   2          HD22      ASN   2 -12.339 -11.154  -7.058
   11    H    GLN   3           HN       GLN   3 -14.292  -7.888  -8.276
   12    HA   GLN   3           HA       GLN   3 -15.264  -6.860  -5.752
   13    HB2  GLN   3           HB2      GLN   3 -12.928  -6.221  -7.500
   14    HB3  GLN   3           HB1      GLN   3 -13.457  -5.057  -6.298
   15    HG2  GLN   3           HG2      GLN   3 -11.877  -6.205  -5.115
   16    HG3  GLN   3           HG1      GLN   3 -13.330  -7.103  -4.689
   17   HE21  GLN   3          HE21      GLN   3 -12.157  -8.946  -4.209
   18   HE22  GLN   3          HE22      GLN   3 -11.451  -9.934  -5.439
   19    H    LYS   4           HN       LYS   4 -16.607  -6.695  -8.507
   20    HA   LYS   4           HA       LYS   4 -16.899  -4.008  -9.228
   21    HB2  LYS   4           HB2      LYS   4 -17.602  -5.990 -10.583
   22    HB3  LYS   4           HB1      LYS   4 -18.944  -6.219  -9.474
   23    HG2  LYS   4           HG2      LYS   4 -19.702  -5.110 -11.474
   24    HG3  LYS   4           HG1      LYS   4 -19.822  -4.013 -10.097
   25    HD2  LYS   4           HD2      LYS   4 -17.811  -2.871 -10.772
   26    HD3  LYS   4           HD1      LYS   4 -17.534  -4.042 -12.063
   27    HE2  LYS   4           HE2      LYS   4 -19.567  -3.321 -13.181
   28    HE3  LYS   4           HE1      LYS   4 -19.912  -2.197 -11.868
   29    HZ1  LYS   4           HZ1      LYS   4 -17.639  -2.076 -13.770
   30    HZ2  LYS   4           HZ2      LYS   4 -17.782  -1.081 -12.413
   31    HZ3  LYS   4           HZ3      LYS   4 -18.931  -0.988 -13.649
   32    H    ALA   5           HN       ALA   5 -18.953  -6.062  -7.165
   33    HA   ALA   5           HA       ALA   5 -20.397  -3.718  -6.218
   34    HB1  ALA   5           HB1      ALA   5 -21.666  -5.726  -6.740
   35    HB2  ALA   5           HB2      ALA   5 -21.806  -5.326  -5.028
   36    HB3  ALA   5           HB3      ALA   5 -20.743  -6.635  -5.543
   37    H    LEU   6           HN       LEU   6 -17.612  -5.357  -5.384
   38    HA   LEU   6           HA       LEU   6 -17.872  -4.937  -2.510
   39    HB2  LEU   6           HB2      LEU   6 -15.470  -5.940  -4.039
   40    HB3  LEU   6           HB1      LEU   6 -15.750  -6.058  -2.310
   41    HG   LEU   6           HG       LEU   6 -17.239  -7.542  -4.479
   42   HD11  LEU   6          HD11      LEU   6 -16.256  -9.519  -3.427
   43   HD12  LEU   6          HD12      LEU   6 -15.375  -8.482  -2.305
   44   HD13  LEU   6          HD13      LEU   6 -15.019  -8.418  -4.031
   45   HD21  LEU   6          HD21      LEU   6 -18.410  -8.675  -2.643
   46   HD22  LEU   6          HD22      LEU   6 -18.776  -6.951  -2.697
   47   HD23  LEU   6          HD23      LEU   6 -17.650  -7.574  -1.494
   48    H    GLU   7           HN       GLU   7 -15.912  -3.893  -1.419
   49    HA   GLU   7           HA       GLU   7 -15.442  -1.333  -2.735
   50    HB2  GLU   7           HB2      GLU   7 -14.864  -2.184   0.108
   51    HB3  GLU   7           HB1      GLU   7 -14.714  -0.553  -0.528
   52    HG2  GLU   7           HG2      GLU   7 -17.121  -0.505  -0.964
   53    HG3  GLU   7           HG1      GLU   7 -17.267  -2.135  -0.312
   54    H    GLU   8           HN       GLU   8 -13.958  -4.188  -2.759
   55    HA   GLU   8           HA       GLU   8 -11.952  -4.884  -3.526
   56    HB2  GLU   8           HB2      GLU   8 -11.425  -1.931  -3.769
   57    HB3  GLU   8           HB1      GLU   8 -10.242  -3.150  -4.219
   58    HG2  GLU   8           HG2      GLU   8 -11.883  -4.092  -5.804
   59    HG3  GLU   8           HG1      GLU   8 -12.971  -2.760  -5.417
   60    H    GLN   9           HN       GLN   9 -12.297  -3.163  -0.670
   61    HA   GLN   9           HA       GLN   9  -9.525  -3.328   0.132
   62    HB2  GLN   9           HB2      GLN   9 -11.947  -2.584   1.770
   63    HB3  GLN   9           HB1      GLN   9 -10.278  -2.418   2.280
   64    HG2  GLN   9           HG2      GLN   9 -11.841  -0.796   0.344
   65    HG3  GLN   9           HG1      GLN   9 -10.752  -0.290   1.638
   66   HE21  GLN   9          HE21      GLN   9 -11.015  -1.236  -1.679
   67   HE22  GLN   9          HE22      GLN   9  -9.368  -0.898  -2.120
   68    H    MET  10           HN       MET  10 -11.406  -5.754  -0.359
   69    HA   MET  10           HA       MET  10 -11.037  -7.165   2.161
   70    HB2  MET  10           HB2      MET  10 -12.393  -7.860  -0.434
   71    HB3  MET  10           HB1      MET  10 -12.063  -9.091   0.773
   72    HG2  MET  10           HG2      MET  10 -13.675  -6.606   1.263
   73    HG3  MET  10           HG1      MET  10 -14.346  -8.192   0.896
   74    HE1  MET  10           HE1      MET  10 -15.188  -6.486   3.438
   75    HE2  MET  10           HE2      MET  10 -15.192  -7.717   4.699
   76    HE3  MET  10           HE3      MET  10 -15.843  -8.089   3.103
   77    H    ASN  11           HN       ASN  11 -10.675  -9.709   0.445
   78    HA   ASN  11           HA       ASN  11  -7.962 -10.075   0.941
   79    HB2  ASN  11           HB2      ASN  11  -9.848 -11.557  -0.885
   80    HB3  ASN  11           HB1      ASN  11  -8.194 -12.079  -0.590
   81   HD21  ASN  11          HD21      ASN  11  -8.816 -13.992   0.360
   82   HD22  ASN  11          HD22      ASN  11  -9.535 -14.062   1.930
   83    H    SER  12           HN       SER  12  -9.410  -8.430  -1.665
   84    HA   SER  12           HA       SER  12  -7.572  -8.710  -3.711
   85    HB2  SER  12           HB2      SER  12  -9.635  -7.409  -3.945
   86    HB3  SER  12           HB1      SER  12  -9.019  -6.203  -2.813
   87    HG   SER  12           HG       SER  12  -8.213  -5.277  -4.510
   88    H    ILE  13           HN       ILE  13  -7.368  -6.710  -0.770
   89    HA   ILE  13           HA       ILE  13  -4.701  -5.830  -1.561
   90    HB   ILE  13           HB       ILE  13  -4.650  -4.423   0.360
   91   HG12  ILE  13          HG12      ILE  13  -7.308  -5.467   1.303
   92   HG13  ILE  13          HG11      ILE  13  -5.795  -6.199   1.834
   93   HG21  ILE  13          HG21      ILE  13  -7.388  -4.359  -0.891
   94   HG22  ILE  13          HG22      ILE  13  -5.940  -3.522  -1.456
   95   HG23  ILE  13          HG23      ILE  13  -6.687  -3.060   0.077
   96   HD11  ILE  13          HD11      ILE  13  -6.592  -4.569   3.439
   97   HD12  ILE  13          HD12      ILE  13  -6.581  -3.321   2.192
   98   HD13  ILE  13          HD13      ILE  13  -5.065  -4.057   2.718
   99    H    ASN  14           HN       ASN  14  -6.199  -8.230   0.441
  100    HA   ASN  14           HA       ASN  14  -4.097  -8.639   2.287
  101    HB2  ASN  14           HB2      ASN  14  -6.114 -10.608   1.258
  102    HB3  ASN  14           HB1      ASN  14  -5.063 -10.883   2.631
  103   HD21  ASN  14          HD21      ASN  14  -6.716 -11.149   4.078
  104   HD22  ASN  14          HD22      ASN  14  -7.731  -9.850   4.596
  105    H    SER  15           HN       SER  15  -4.882 -10.203  -0.802
  106    HA   SER  15           HA       SER  15  -2.711 -11.961  -0.882
  107    HB2  SER  15           HB2      SER  15  -2.965 -11.653  -3.448
  108    HB3  SER  15           HB1      SER  15  -4.361 -12.262  -2.552
  109    HG   SER  15           HG       SER  15  -4.076  -9.961  -3.976
  110    H    VAL  16           HN       VAL  16  -2.961  -8.558  -1.687
  111    HA   VAL  16           HA       VAL  16  -0.310  -8.224  -2.622
  112    HB   VAL  16           HB       VAL  16  -2.125  -6.175  -1.314
  113   HG11  VAL  16          HG11      VAL  16   0.214  -5.476  -1.371
  114   HG12  VAL  16          HG12      VAL  16  -0.756  -4.527  -2.495
  115   HG13  VAL  16          HG13      VAL  16   0.286  -5.815  -3.100
  116   HG21  VAL  16          HG21      VAL  16  -2.684  -5.529  -3.623
  117   HG22  VAL  16          HG22      VAL  16  -3.190  -7.176  -3.249
  118   HG23  VAL  16          HG23      VAL  16  -1.744  -6.896  -4.218
  119    H    ASN  17           HN       ASN  17  -1.814  -8.190   0.581
  120    HA   ASN  17           HA       ASN  17   0.360  -7.020   1.982
  121    HB2  ASN  17           HB2      ASN  17  -2.000  -8.676   2.754
  122    HB3  ASN  17           HB1      ASN  17  -0.685  -8.524   3.914
  123   HD21  ASN  17          HD21      ASN  17  -3.190  -6.836   2.180
  124   HD22  ASN  17          HD22      ASN  17  -3.165  -5.409   3.164
  125    H    ASP  18           HN       ASP  18  -0.459 -10.360   1.188
  126    HA   ASP  18           HA       ASP  18   1.761 -11.522   2.541
  127    HB2  ASP  18           HB2      ASP  18  -0.164 -12.525   0.458
  128    HB3  ASP  18           HB1      ASP  18   1.209 -13.505   0.975
  129    H    LYS  19           HN       LYS  19   1.436  -9.907  -0.460
  130    HA   LYS  19           HA       LYS  19   3.764 -11.189  -1.639
  131    HB2  LYS  19           HB2      LYS  19   1.867  -9.061  -2.621
  132    HB3  LYS  19           HB1      LYS  19   3.318  -9.503  -3.506
  133    HG2  LYS  19           HG2      LYS  19   1.411 -11.650  -2.732
  134    HG3  LYS  19           HG1      LYS  19   0.988 -10.572  -4.064
  135    HD2  LYS  19           HD2      LYS  19   2.069 -12.520  -4.954
  136    HD3  LYS  19           HD1      LYS  19   3.147 -11.142  -5.146
  137    HE2  LYS  19           HE2      LYS  19   4.451 -11.853  -3.238
  138    HE3  LYS  19           HE1      LYS  19   3.330 -13.178  -2.926
  139    HZ1  LYS  19           HZ1      LYS  19   3.958 -14.159  -5.033
  140    HZ2  LYS  19           HZ2      LYS  19   5.328 -13.918  -4.073
  141    HZ3  LYS  19           HZ3      LYS  19   5.004 -12.872  -5.360
  142    H    LEU  20           HN       LEU  20   2.808  -8.157  -0.200
  143    HA   LEU  20           HA       LEU  20   5.289  -6.833  -0.728
  144    HB2  LEU  20           HB2      LEU  20   3.050  -6.215   1.193
  145    HB3  LEU  20           HB1      LEU  20   4.401  -5.140   0.862
  146    HG   LEU  20           HG       LEU  20   2.325  -6.032  -1.148
  147   HD11  LEU  20          HD11      LEU  20   1.428  -3.849  -0.998
  148   HD12  LEU  20          HD12      LEU  20   2.754  -3.300   0.026
  149   HD13  LEU  20          HD13      LEU  20   1.583  -4.459   0.649
  150   HD21  LEU  20          HD21      LEU  20   4.474  -5.655  -2.213
  151   HD22  LEU  20          HD22      LEU  20   4.628  -4.096  -1.402
  152   HD23  LEU  20          HD23      LEU  20   3.364  -4.343  -2.607
  153    H    ASN  21           HN       ASN  21   3.930  -8.702   1.916
  154    HA   ASN  21           HA       ASN  21   6.221  -8.281   3.611
  155    HB2  ASN  21           HB2      ASN  21   3.749  -9.969   3.790
  156    HB3  ASN  21           HB1      ASN  21   5.108 -10.293   4.866
  157   HD21  ASN  21          HD21      ASN  21   2.571  -8.036   4.035
  158   HD22  ASN  21          HD22      ASN  21   2.736  -7.045   5.445
  159    H    LYS  22           HN       LYS  22   7.499  -8.859   1.590
  160    HA   LYS  22           HA       LYS  22   7.697 -11.720   1.084
  161    HB2  LYS  22           HB2      LYS  22   9.201 -10.932  -0.818
  162    HB3  LYS  22           HB1      LYS  22   7.499 -10.492  -0.909
  163    HG2  LYS  22           HG2      LYS  22   8.404  -8.487  -1.460
  164    HG3  LYS  22           HG1      LYS  22   8.402  -8.294   0.292
  165    HD2  LYS  22           HD2      LYS  22  10.742  -9.121   0.330
  166    HD3  LYS  22           HD1      LYS  22  10.718  -9.155  -1.433
  167    HE2  LYS  22           HE2      LYS  22  10.102  -6.690  -1.316
  168    HE3  LYS  22           HE1      LYS  22  10.551  -6.759   0.398
  169    HZ1  LYS  22           HZ1      LYS  22  12.482  -6.098  -0.670
  170    HZ2  LYS  22           HZ2      LYS  22  12.261  -7.139  -1.982
  171    HZ3  LYS  22           HZ3      LYS  22  12.717  -7.760  -0.481
  172    H    GLY  23           HN       GLY  23   9.683  -9.074   2.317
  173    HA2  GLY  23           HA2      GLY  23  11.171 -10.612   4.038
  174    HA3  GLY  23           HA1      GLY  23  12.063 -10.627   2.517
  175    H    LYS  24           HN       LYS  24  13.080  -8.812   1.820
  176    HA   LYS  24           HA       LYS  24  13.723  -6.824   3.772
  177    HB2  LYS  24           HB2      LYS  24  14.444  -7.379   0.940
  178    HB3  LYS  24           HB1      LYS  24  14.714  -5.744   1.534
  179    HG2  LYS  24           HG2      LYS  24  15.767  -8.150   2.995
  180    HG3  LYS  24           HG1      LYS  24  16.636  -7.443   1.633
  181    HD2  LYS  24           HD2      LYS  24  15.796  -5.938   4.104
  182    HD3  LYS  24           HD1      LYS  24  17.406  -6.605   3.833
  183    HE2  LYS  24           HE2      LYS  24  17.527  -5.213   1.753
  184    HE3  LYS  24           HE1      LYS  24  16.023  -4.443   2.256
  185    HZ1  LYS  24           HZ1      LYS  24  17.834  -3.095   2.957
  186    HZ2  LYS  24           HZ2      LYS  24  18.617  -4.399   3.688
  187    HZ3  LYS  24           HZ3      LYS  24  17.174  -3.811   4.341
  188    H    GLY  25           HN       GLY  25  11.796  -5.771   4.314
  189    HA2  GLY  25           HA2      GLY  25  10.671  -3.701   3.995
  190    HA3  GLY  25           HA1      GLY  25  10.919  -3.877   2.285
  191    H    LYS  26           HN       LYS  26   8.620  -3.742   4.476
  192    HA   LYS  26           HA       LYS  26   6.796  -5.254   2.798
  193    HB2  LYS  26           HB2      LYS  26   5.927  -6.397   4.939
  194    HB3  LYS  26           HB1      LYS  26   7.395  -7.000   4.166
  195    HG2  LYS  26           HG2      LYS  26   8.642  -5.439   5.769
  196    HG3  LYS  26           HG1      LYS  26   7.125  -5.431   6.688
  197    HD2  LYS  26           HD2      LYS  26   8.698  -7.151   7.486
  198    HD3  LYS  26           HD1      LYS  26   7.195  -7.848   6.877
  199    HE2  LYS  26           HE2      LYS  26   8.228  -8.520   4.853
  200    HE3  LYS  26           HE1      LYS  26   9.681  -7.563   5.188
  201    HZ1  LYS  26           HZ1      LYS  26   9.994  -9.951   5.604
  202    HZ2  LYS  26           HZ2      LYS  26   8.754  -9.932   6.750
  203    HZ3  LYS  26           HZ3      LYS  26  10.174  -9.057   7.026
  204    H    LEU  27           HN       LEU  27   4.582  -4.860   3.217
  205    HA   LEU  27           HA       LEU  27   4.013  -2.506   4.889
  206    HB2  LEU  27           HB2      LEU  27   2.851  -3.039   2.143
  207    HB3  LEU  27           HB1      LEU  27   2.453  -1.689   3.187
  208    HG   LEU  27           HG       LEU  27   4.963  -1.068   2.949
  209   HD11  LEU  27          HD11      LEU  27   5.981  -1.737   0.850
  210   HD12  LEU  27          HD12      LEU  27   4.604  -2.775   0.489
  211   HD13  LEU  27          HD13      LEU  27   5.657  -3.152   1.852
  212   HD21  LEU  27          HD21      LEU  27   3.012  -0.781   0.670
  213   HD22  LEU  27          HD22      LEU  27   4.458   0.201   0.909
  214   HD23  LEU  27          HD23      LEU  27   3.141   0.269   2.081
  215    H    SER  28           HN       SER  28   2.354  -2.884   6.258
  216    HA   SER  28           HA       SER  28   0.503  -5.087   5.623
  217    HB2  SER  28           HB2      SER  28   0.928  -3.708   8.293
  218    HB3  SER  28           HB1      SER  28   0.026  -5.199   7.994
  219    HG   SER  28           HG       SER  28   1.839  -6.295   7.879
  220    H    LEU  29           HN       LEU  29  -1.140  -4.194   4.455
  221    HA   LEU  29           HA       LEU  29  -2.011  -1.463   5.017
  222    HB2  LEU  29           HB2      LEU  29  -2.929  -3.255   2.789
  223    HB3  LEU  29           HB1      LEU  29  -3.111  -1.515   2.903
  224    HG   LEU  29           HG       LEU  29  -1.440  -1.722   1.360
  225   HD11  LEU  29          HD11      LEU  29  -0.688  -0.256   3.142
  226   HD12  LEU  29          HD12      LEU  29   0.659  -1.067   2.345
  227   HD13  LEU  29          HD13      LEU  29   0.106  -1.624   3.924
  228   HD21  LEU  29          HD21      LEU  29   0.276  -3.340   1.281
  229   HD22  LEU  29          HD22      LEU  29  -1.235  -4.185   1.617
  230   HD23  LEU  29          HD23      LEU  29  -0.077  -3.889   2.915
  231    H    SER  30           HN       SER  30  -3.901  -0.907   5.872
  232    HA   SER  30           HA       SER  30  -6.129  -2.677   5.529
  233    HB2  SER  30           HB2      SER  30  -5.241  -1.896   8.323
  234    HB3  SER  30           HB1      SER  30  -6.752  -2.719   7.930
  235    HG   SER  30           HG       SER  30  -4.716  -4.045   6.807
  236    H    MET  31           HN       MET  31  -7.951  -1.546   5.201
  237    HA   MET  31           HA       MET  31  -7.808   1.359   5.579
  238    HB2  MET  31           HB2      MET  31  -9.627  -0.290   3.805
  239    HB3  MET  31           HB1      MET  31  -9.586   1.465   3.878
  240    HG2  MET  31           HG2      MET  31  -8.414   0.779   1.932
  241    HG3  MET  31           HG1      MET  31  -7.235   1.385   3.088
  242    HE1  MET  31           HE1      MET  31  -5.241  -1.435   1.224
  243    HE2  MET  31           HE2      MET  31  -5.194   0.236   1.781
  244    HE3  MET  31           HE3      MET  31  -6.372  -0.254   0.565
  245    H    ASN  32           HN       ASN  32  -9.292   2.417   6.799
  246    HA   ASN  32           HA       ASN  32 -11.603   0.893   7.776
  247    HB2  ASN  32           HB2      ASN  32  -9.856   0.816   9.537
  248    HB3  ASN  32           HB1      ASN  32  -9.824   2.581   9.558
  249   HD21  ASN  32          HD21      ASN  32 -10.468   2.708  11.701
  250   HD22  ASN  32          HD22      ASN  32 -12.085   2.338  12.207
  251    H    GLY  33           HN       GLY  33 -12.916   2.050   6.401
  252    HA2  GLY  33           HA2      GLY  33 -14.419   3.698   5.913
  253    HA3  GLY  33           HA1      GLY  33 -14.063   4.373   7.495
  254    H    ASN  34           HN       ASN  34 -12.557   6.054   7.671
  255    HA   ASN  34           HA       ASN  34 -11.992   7.390   5.114
  256    HB2  ASN  34           HB2      ASN  34 -11.984   9.489   6.380
  257    HB3  ASN  34           HB1      ASN  34 -13.504   8.631   6.614
  258   HD21  ASN  34          HD21      ASN  34 -10.311   9.114   8.068
  259   HD22  ASN  34          HD22      ASN  34 -10.862   9.019   9.719
  260    H    GLN  35           HN       GLN  35 -10.275   5.376   6.477
  261    HA   GLN  35           HA       GLN  35  -7.942   7.046   6.940
  262    HB2  GLN  35           HB2      GLN  35  -8.865   6.719   9.145
  263    HB3  GLN  35           HB1      GLN  35  -8.965   4.977   8.880
  264    HG2  GLN  35           HG2      GLN  35  -6.504   4.918   8.661
  265    HG3  GLN  35           HG1      GLN  35  -6.462   6.635   9.067
  266   HE21  GLN  35          HE21      GLN  35  -7.080   3.429  10.256
  267   HE22  GLN  35          HE22      GLN  35  -7.058   3.826  11.942
  268    H    LEU  36           HN       LEU  36  -6.147   6.277   6.205
  269    HA   LEU  36           HA       LEU  36  -5.903   3.427   5.519
  270    HB2  LEU  36           HB2      LEU  36  -5.690   5.392   3.770
  271    HB3  LEU  36           HB1      LEU  36  -4.109   5.611   4.488
  272    HG   LEU  36           HG       LEU  36  -3.959   4.316   2.438
  273   HD11  LEU  36          HD11      LEU  36  -3.441   2.600   4.856
  274   HD12  LEU  36          HD12      LEU  36  -2.344   3.801   4.176
  275   HD13  LEU  36          HD13      LEU  36  -2.757   2.359   3.248
  276   HD21  LEU  36          HD21      LEU  36  -6.224   3.375   2.510
  277   HD22  LEU  36          HD22      LEU  36  -5.707   2.285   3.797
  278   HD23  LEU  36          HD23      LEU  36  -4.988   2.160   2.192
  279    H    LYS  37           HN       LYS  37  -4.444   2.329   6.730
  280    HA   LYS  37           HA       LYS  37  -2.235   3.810   7.971
  281    HB2  LYS  37           HB2      LYS  37  -2.594   2.783  10.149
  282    HB3  LYS  37           HB1      LYS  37  -4.038   3.681   9.687
  283    HG2  LYS  37           HG2      LYS  37  -5.173   1.638   9.103
  284    HG3  LYS  37           HG1      LYS  37  -3.712   0.701   9.414
  285    HD2  LYS  37           HD2      LYS  37  -3.788   1.528  11.775
  286    HD3  LYS  37           HD1      LYS  37  -5.364   2.235  11.412
  287    HE2  LYS  37           HE2      LYS  37  -5.649   0.080  12.481
  288    HE3  LYS  37           HE1      LYS  37  -6.202   0.002  10.809
  289    HZ1  LYS  37           HZ1      LYS  37  -4.899  -1.938  11.398
  290    HZ2  LYS  37           HZ2      LYS  37  -3.580  -0.967  11.807
  291    HZ3  LYS  37           HZ3      LYS  37  -4.108  -1.040  10.206
  292    H    ALA  38           HN       ALA  38  -0.404   2.515   8.155
  293    HA   ALA  38           HA       ALA  38  -0.532  -0.306   7.525
  294    HB1  ALA  38           HB1      ALA  38  -0.601   0.732   5.309
  295    HB2  ALA  38           HB2      ALA  38   0.905  -0.151   5.563
  296    HB3  ALA  38           HB3      ALA  38   0.885   1.609   5.672
  297    H    THR  39           HN       THR  39   1.084  -1.374   8.510
  298    HA   THR  39           HA       THR  39   3.285   0.202   9.616
  299    HB   THR  39           HB       THR  39   3.835  -1.854  10.901
  300    HG1  THR  39           HG1      THR  39   2.855  -3.311   9.351
  301   HG21  THR  39          HG21      THR  39   2.368  -0.157  11.887
  302   HG22  THR  39          HG22      THR  39   1.911  -1.776  12.415
  303   HG23  THR  39          HG23      THR  39   0.964  -0.952  11.176
  304    H    SER  40           HN       SER  40   5.411  -0.289   9.169
  305    HA   SER  40           HA       SER  40   5.890  -2.116   6.910
  306    HB2  SER  40           HB2      SER  40   7.173   0.574   7.368
  307    HB3  SER  40           HB1      SER  40   7.506  -0.523   6.027
  308    HG   SER  40           HG       SER  40   5.340  -0.258   5.371
  309    H    SER  41           HN       SER  41   7.139  -3.709   7.553
  310    HA   SER  41           HA       SER  41   8.893  -3.239   9.834
  311    HB2  SER  41           HB2      SER  41   7.927  -5.835   8.625
  312    HB3  SER  41           HB1      SER  41   8.952  -5.698  10.054
  313    HG   SER  41           HG       SER  41   6.782  -4.125  10.313
  314    H    ASN  42           HN       ASN  42  10.775  -5.068   9.642
  315    HA   ASN  42           HA       ASN  42  12.866  -5.391   8.860
  316    HB2  ASN  42           HB2      ASN  42  11.470  -5.411   6.478
  317    HB3  ASN  42           HB1      ASN  42  12.660  -4.137   6.226
  318   HD21  ASN  42          HD21      ASN  42  12.196  -7.517   6.951
  319   HD22  ASN  42          HD22      ASN  42  13.796  -8.026   6.519
  320    H    ALA  43           HN       ALA  43  11.836  -3.063  10.154
  321    HA   ALA  43           HA       ALA  43  12.576  -1.095  10.974
  322    HB1  ALA  43           HB1      ALA  43  14.976  -0.679  10.943
  323    HB2  ALA  43           HB2      ALA  43  15.181  -1.923   9.711
  324    HB3  ALA  43           HB3      ALA  43  14.619  -2.364  11.322
  325    H    GLY  44           HN       GLY  44  11.359  -1.094   8.336
  326    HA2  GLY  44           HA2      GLY  44  10.692   0.684   7.008
  327    HA3  GLY  44           HA1      GLY  44  11.960   1.660   7.740
  328    H    TYR  45           HN       TYR  45  13.407  -1.113   6.721
  329    HA   TYR  45           HA       TYR  45  14.794   0.164   4.613
  330    HB2  TYR  45           HB2      TYR  45  14.686  -2.645   5.654
  331    HB3  TYR  45           HB1      TYR  45  15.561  -2.282   4.168
  332    HD1  TYR  45           HD1      TYR  45  15.376  -1.535   7.787
  333    HD2  TYR  45           HD2      TYR  45  17.719  -1.240   4.249
  334    HE1  TYR  45           HE1      TYR  45  17.307  -0.831   9.131
  335    HE2  TYR  45           HE2      TYR  45  19.652  -0.538   5.584
  336    HH   TYR  45           HH       TYR  45  20.084   0.529   7.798
  337    H    GLY  46           HN       GLY  46  14.748  -0.172   2.421
  338    HA2  GLY  46           HA2      GLY  46  12.123  -0.662   1.361
  339    HA3  GLY  46           HA1      GLY  46  13.539  -0.143   0.461
  340    H    ILE  47           HN       ILE  47  12.820  -1.629  -1.190
  341    HA   ILE  47           HA       ILE  47  12.338  -4.327  -0.998
  342    HB   ILE  47           HB       ILE  47  14.037  -4.227  -3.160
  343   HG12  ILE  47          HG12      ILE  47  13.070  -2.252  -4.461
  344   HG13  ILE  47          HG11      ILE  47  12.612  -1.598  -2.888
  345   HG21  ILE  47          HG21      ILE  47  11.997  -4.308  -4.515
  346   HG22  ILE  47          HG22      ILE  47  11.055  -3.877  -3.086
  347   HG23  ILE  47          HG23      ILE  47  11.953  -5.395  -3.129
  348   HD11  ILE  47          HD11      ILE  47  14.771  -0.772  -3.839
  349   HD12  ILE  47          HD12      ILE  47  15.422  -2.387  -3.577
  350   HD13  ILE  47          HD13      ILE  47  14.859  -1.428  -2.210
  351    H    SER  48           HN       SER  48  15.440  -2.801  -1.530
  352    HA   SER  48           HA       SER  48  17.069  -4.284  -0.020
  353    HB2  SER  48           HB2      SER  48  16.173  -6.246  -1.400
  354    HB3  SER  48           HB1      SER  48  17.068  -5.554  -2.759
  355    HG   SER  48           HG       SER  48  18.549  -6.846  -1.922
  356    H    TYR  49           HN       TYR  49  16.964  -3.585  -3.510
  357    HA   TYR  49           HA       TYR  49  18.987  -1.512  -3.206
  358    HB2  TYR  49           HB2      TYR  49  19.406  -4.031  -4.799
  359    HB3  TYR  49           HB1      TYR  49  20.387  -2.587  -5.022
  360    HD1  TYR  49           HD1      TYR  49  21.363  -1.624  -2.682
  361    HD2  TYR  49           HD2      TYR  49  20.300  -5.694  -3.403
  362    HE1  TYR  49           HE1      TYR  49  22.825  -2.335  -0.847
  363    HE2  TYR  49           HE2      TYR  49  21.760  -6.396  -1.568
  364    HH   TYR  49           HH       TYR  49  22.979  -4.277   0.726
  365    H    GLU  50           HN       GLU  50  16.588  -3.121  -5.219
  366    HA   GLU  50           HA       GLU  50  17.397  -1.589  -7.556
  367    HB2  GLU  50           HB2      GLU  50  15.425  -3.844  -7.221
  368    HB3  GLU  50           HB1      GLU  50  15.823  -3.085  -8.757
  369    HG2  GLU  50           HG2      GLU  50  17.695  -4.620  -6.971
  370    HG3  GLU  50           HG1      GLU  50  17.025  -5.156  -8.515
  371    H    ASP  51           HN       ASP  51  15.718  -0.899  -9.058
  372    HA   ASP  51           HA       ASP  51  13.935   0.925  -7.647
  373    HB2  ASP  51           HB2      ASP  51  13.850   2.083  -9.881
  374    HB3  ASP  51           HB1      ASP  51  15.460   1.991  -9.167
  375    H    LYS  52           HN       LYS  52  12.187  -0.428  -7.196
  376    HA   LYS  52           HA       LYS  52  10.682  -1.390  -9.518
  377    HB2  LYS  52           HB2      LYS  52  10.714  -2.068  -6.618
  378    HB3  LYS  52           HB1      LYS  52   9.179  -2.219  -7.468
  379    HG2  LYS  52           HG2      LYS  52  10.460  -4.320  -7.356
  380    HG3  LYS  52           HG1      LYS  52  10.120  -3.798  -9.007
  381    HD2  LYS  52           HD2      LYS  52  12.445  -2.731  -8.963
  382    HD3  LYS  52           HD1      LYS  52  12.721  -3.687  -7.505
  383    HE2  LYS  52           HE2      LYS  52  12.341  -5.735  -8.707
  384    HE3  LYS  52           HE1      LYS  52  11.858  -4.846 -10.150
  385    HZ1  LYS  52           HZ1      LYS  52  14.105  -3.957 -10.305
  386    HZ2  LYS  52           HZ2      LYS  52  14.116  -5.646 -10.342
  387    HZ3  LYS  52           HZ3      LYS  52  14.565  -4.834  -8.931
  388    H    ASN  53           HN       ASN  53   8.324  -0.871  -9.562
  389    HA   ASN  53           HA       ASN  53   7.961   1.865  -8.571
  390    HB2  ASN  53           HB2      ASN  53   6.380   2.041 -10.652
  391    HB3  ASN  53           HB1      ASN  53   8.118   2.261 -10.829
  392   HD21  ASN  53          HD21      ASN  53   5.571  -0.148 -11.042
  393   HD22  ASN  53          HD22      ASN  53   6.298  -1.059 -12.325
  394    H    TRP  54           HN       TRP  54   6.447   2.177  -7.249
  395    HA   TRP  54           HA       TRP  54   4.282   0.251  -6.892
  396    HB2  TRP  54           HB2      TRP  54   6.046   1.645  -5.205
  397    HB3  TRP  54           HB1      TRP  54   4.448   2.360  -4.953
  398    HD1  TRP  54           HD1      TRP  54   6.432  -0.788  -4.316
  399    HE1  TRP  54           HE1      TRP  54   5.010  -2.346  -2.811
  400    HE3  TRP  54           HE3      TRP  54   2.100   1.785  -4.492
  401    HZ2  TRP  54           HZ2      TRP  54   2.317  -2.415  -1.851
  402    HZ3  TRP  54           HZ3      TRP  54   0.156   0.950  -3.314
  403    HH2  TRP  54           HH2      TRP  54   0.259  -1.105  -2.010
  404    H    GLY  55           HN       GLY  55   2.045   1.169  -6.294
  405    HA2  GLY  55           HA2      GLY  55   1.668   3.987  -6.542
  406    HA3  GLY  55           HA1      GLY  55   1.153   3.153  -7.981
  407    H    ILE  56           HN       ILE  56  -0.340   4.738  -6.029
  408    HA   ILE  56           HA       ILE  56  -2.287   2.677  -5.181
  409    HB   ILE  56           HB       ILE  56  -1.977   5.532  -4.228
  410   HG12  ILE  56          HG12      ILE  56  -1.779   4.423  -1.997
  411   HG13  ILE  56          HG11      ILE  56  -1.708   2.866  -2.829
  412   HG21  ILE  56          HG21      ILE  56  -4.343   4.988  -4.457
  413   HG22  ILE  56          HG22      ILE  56  -3.887   5.104  -2.758
  414   HG23  ILE  56          HG23      ILE  56  -4.108   3.523  -3.505
  415   HD11  ILE  56          HD11      ILE  56   0.273   5.126  -3.073
  416   HD12  ILE  56          HD12      ILE  56   0.355   3.595  -3.944
  417   HD13  ILE  56          HD13      ILE  56   0.504   3.618  -2.187
  418    H    PHE  57           HN       PHE  57  -4.037   2.444  -6.410
  419    HA   PHE  57           HA       PHE  57  -4.980   4.763  -7.963
  420    HB2  PHE  57           HB2      PHE  57  -5.705   1.853  -8.373
  421    HB3  PHE  57           HB1      PHE  57  -6.205   3.198  -9.374
  422    HD1  PHE  57           HD1      PHE  57  -3.154   1.408  -8.213
  423    HD2  PHE  57           HD2      PHE  57  -5.000   3.742 -11.253
  424    HE1  PHE  57           HE1      PHE  57  -1.212   1.032  -9.675
  425    HE2  PHE  57           HE2      PHE  57  -3.060   3.373 -12.718
  426    HZ   PHE  57           HZ       PHE  57  -1.164   2.018 -11.930
  427    H    VAL  58           HN       VAL  58  -6.961   5.584  -7.578
  428    HA   VAL  58           HA       VAL  58  -8.814   4.018  -5.920
  429    HB   VAL  58           HB       VAL  58  -7.914   5.847  -4.550
  430   HG11  VAL  58          HG11      VAL  58  -9.078   7.723  -6.597
  431   HG12  VAL  58          HG12      VAL  58  -7.361   7.399  -6.375
  432   HG13  VAL  58          HG13      VAL  58  -8.285   8.171  -5.086
  433   HG21  VAL  58          HG21      VAL  58 -10.038   6.873  -3.888
  434   HG22  VAL  58          HG22      VAL  58 -10.202   5.140  -4.170
  435   HG23  VAL  58          HG23      VAL  58 -10.776   6.288  -5.380
  436    H    ASN  59           HN       ASN  59 -10.540   3.508  -7.054
  437    HA   ASN  59           HA       ASN  59 -12.166   3.485  -8.642
  438    HB2  ASN  59           HB2      ASN  59 -11.786   6.489  -8.557
  439    HB3  ASN  59           HB1      ASN  59 -13.086   5.677  -9.419
  440   HD21  ASN  59          HD21      ASN  59 -14.763   4.756  -8.267
  441   HD22  ASN  59          HD22      ASN  59 -15.037   5.104  -6.595
  442    H    GLY  60           HN       GLY  60  -9.293   3.365  -9.345
  443    HA2  GLY  60           HA2      GLY  60  -8.331   2.793 -11.402
  444    HA3  GLY  60           HA1      GLY  60  -9.645   3.623 -12.223
  445    H    GLU  61           HN       GLU  61  -8.447   5.647  -9.853
  446    HA   GLU  61           HA       GLU  61  -6.574   6.903 -11.752
  447    HB2  GLU  61           HB2      GLU  61  -8.680   8.162 -11.574
  448    HB3  GLU  61           HB1      GLU  61  -8.464   8.276  -9.830
  449    HG2  GLU  61           HG2      GLU  61  -7.852  10.340 -11.000
  450    HG3  GLU  61           HG1      GLU  61  -6.496   9.628 -10.118
  451    H    LYS  62           HN       LYS  62  -4.675   7.755 -10.923
  452    HA   LYS  62           HA       LYS  62  -3.815   6.457  -8.478
  453    HB2  LYS  62           HB2      LYS  62  -2.294   8.172 -10.448
  454    HB3  LYS  62           HB1      LYS  62  -1.572   7.284  -9.110
  455    HG2  LYS  62           HG2      LYS  62  -2.288   5.182 -10.105
  456    HG3  LYS  62           HG1      LYS  62  -3.046   6.063 -11.436
  457    HD2  LYS  62           HD2      LYS  62  -0.103   6.125 -10.759
  458    HD3  LYS  62           HD1      LYS  62  -0.831   5.148 -12.035
  459    HE2  LYS  62           HE2      LYS  62  -1.649   7.218 -13.101
  460    HE3  LYS  62           HE1      LYS  62  -0.832   8.160 -11.860
  461    HZ1  LYS  62           HZ1      LYS  62   0.519   8.057 -13.820
  462    HZ2  LYS  62           HZ2      LYS  62   0.452   6.370 -13.846
  463    HZ3  LYS  62           HZ3      LYS  62   1.271   7.160 -12.600
  464    H    VAL  63           HN       VAL  63  -3.386   7.392  -6.556
  465    HA   VAL  63           HA       VAL  63  -3.646  10.316  -6.379
  466    HB   VAL  63           HB       VAL  63  -3.931  10.050  -3.957
  467   HG11  VAL  63          HG11      VAL  63  -6.143   8.998  -3.988
  468   HG12  VAL  63          HG12      VAL  63  -5.799   8.358  -5.595
  469   HG13  VAL  63          HG13      VAL  63  -5.905  10.101  -5.344
  470   HG21  VAL  63          HG21      VAL  63  -3.840   7.092  -4.518
  471   HG22  VAL  63          HG22      VAL  63  -4.279   7.833  -2.979
  472   HG23  VAL  63          HG23      VAL  63  -2.645   8.021  -3.614
  473    H    TYR  64           HN       TYR  64  -1.545   7.615  -5.509
  474    HA   TYR  64           HA       TYR  64   0.687   9.483  -5.373
  475    HB2  TYR  64           HB2      TYR  64  -0.146   9.212  -3.047
  476    HB3  TYR  64           HB1      TYR  64   0.098   7.473  -3.185
  477    HD1  TYR  64           HD1      TYR  64   2.115   6.554  -2.517
  478    HD2  TYR  64           HD2      TYR  64   1.960  10.700  -3.435
  479    HE1  TYR  64           HE1      TYR  64   4.424   6.807  -1.722
  480    HE2  TYR  64           HE2      TYR  64   4.276  10.966  -2.648
  481    HH   TYR  64           HH       TYR  64   5.860   9.847  -1.167
  482    H    THR  65           HN       THR  65   2.642   8.579  -5.921
  483    HA   THR  65           HA       THR  65   2.714   5.714  -6.570
  484    HB   THR  65           HB       THR  65   3.666   7.952  -8.396
  485    HG1  THR  65           HG1      THR  65   1.270   6.734  -8.135
  486   HG21  THR  65          HG21      THR  65   3.655   4.966  -8.833
  487   HG22  THR  65          HG22      THR  65   5.084   5.968  -8.574
  488   HG23  THR  65          HG23      THR  65   4.106   6.182 -10.028
  489    H    PHE  66           HN       PHE  66   4.813   4.795  -6.193
  490    HA   PHE  66           HA       PHE  66   7.037   6.557  -5.663
  491    HB2  PHE  66           HB2      PHE  66   7.449   5.870  -3.376
  492    HB3  PHE  66           HB1      PHE  66   5.857   6.605  -3.504
  493    HD1  PHE  66           HD1      PHE  66   7.738   3.622  -2.696
  494    HD2  PHE  66           HD2      PHE  66   3.832   5.192  -3.329
  495    HE1  PHE  66           HE1      PHE  66   6.777   1.690  -1.517
  496    HE2  PHE  66           HE2      PHE  66   2.861   3.256  -2.154
  497    HZ   PHE  66           HZ       PHE  66   4.337   1.507  -1.244
  498    H    ASN  67           HN       ASN  67   8.836   4.981  -4.497
  499    HA   ASN  67           HA       ASN  67   8.933   2.549  -6.164
  500    HB2  ASN  67           HB2      ASN  67  11.198   4.486  -5.594
  501    HB3  ASN  67           HB1      ASN  67  11.370   2.949  -6.437
  502   HD21  ASN  67          HD21      ASN  67   8.942   3.163  -7.936
  503   HD22  ASN  67          HD22      ASN  67   9.195   4.383  -9.134
  504    H    GLU  68           HN       GLU  68   9.720   0.747  -5.219
  505    HA   GLU  68           HA       GLU  68   9.592   0.529  -2.443
  506    HB2  GLU  68           HB2      GLU  68  10.765  -1.372  -4.473
  507    HB3  GLU  68           HB1      GLU  68  10.605  -1.750  -2.771
  508    HG2  GLU  68           HG2      GLU  68   8.762  -2.746  -3.650
  509    HG3  GLU  68           HG1      GLU  68   8.107  -1.203  -3.106
  510    H    LYS  69           HN       LYS  69  12.259   1.603  -4.300
  511    HA   LYS  69           HA       LYS  69  14.219   0.633  -2.409
  512    HB2  LYS  69           HB2      LYS  69  15.882   1.805  -3.742
  513    HB3  LYS  69           HB1      LYS  69  14.859   0.799  -4.749
  514    HG2  LYS  69           HG2      LYS  69  13.526   2.937  -5.185
  515    HG3  LYS  69           HG1      LYS  69  14.942   3.767  -4.540
  516    HD2  LYS  69           HD2      LYS  69  15.796   1.735  -6.363
  517    HD3  LYS  69           HD1      LYS  69  14.617   2.770  -7.161
  518    HE2  LYS  69           HE2      LYS  69  17.041   3.771  -5.671
  519    HE3  LYS  69           HE1      LYS  69  16.988   3.505  -7.412
  520    HZ1  LYS  69           HZ1      LYS  69  15.184   5.134  -7.542
  521    HZ2  LYS  69           HZ2      LYS  69  16.591   5.811  -6.895
  522    HZ3  LYS  69           HZ3      LYS  69  15.305   5.409  -5.877
  523    H    SER  70           HN       SER  70  12.007   3.001  -2.287
  524    HA   SER  70           HA       SER  70  13.569   4.863  -0.760
  525    HB2  SER  70           HB2      SER  70  10.560   4.528  -0.970
  526    HB3  SER  70           HB1      SER  70  11.398   5.916  -0.268
  527    HG   SER  70           HG       SER  70  10.660   5.764  -2.697
  528    H    THR  71           HN       THR  71  12.212   5.234   1.619
  529    HA   THR  71           HA       THR  71  12.592   2.645   2.915
  530    HB   THR  71           HB       THR  71  12.511   4.005   5.042
  531    HG1  THR  71           HG1      THR  71  12.810   6.251   3.318
  532   HG21  THR  71          HG21      THR  71  14.626   4.773   3.029
  533   HG22  THR  71          HG22      THR  71  14.644   3.344   4.062
  534   HG23  THR  71          HG23      THR  71  14.765   4.952   4.777
  535    H    VAL  72           HN       VAL  72  10.898   1.500   3.415
  536    HA   VAL  72           HA       VAL  72   8.377   2.239   2.480
  537    HB   VAL  72           HB       VAL  72   8.686   0.023   4.503
  538   HG11  VAL  72          HG11      VAL  72   7.156  -1.141   3.009
  539   HG12  VAL  72          HG12      VAL  72   7.141   0.259   1.932
  540   HG13  VAL  72          HG13      VAL  72   6.495   0.397   3.569
  541   HG21  VAL  72          HG21      VAL  72   9.743  -0.016   1.674
  542   HG22  VAL  72          HG22      VAL  72   9.466  -1.456   2.650
  543   HG23  VAL  72          HG23      VAL  72  10.658  -0.263   3.163
  544    H    GLY  73           HN       GLY  73   9.871   2.870   5.480
  545    HA2  GLY  73           HA2      GLY  73   7.362   2.929   6.977
  546    HA3  GLY  73           HA1      GLY  73   8.970   3.295   7.614
  547    H    ASN  74           HN       ASN  74   9.628   5.208   5.538
  548    HA   ASN  74           HA       ASN  74   8.177   7.484   6.509
  549    HB2  ASN  74           HB2      ASN  74  10.277   7.158   4.367
  550    HB3  ASN  74           HB1      ASN  74   9.463   8.692   4.644
  551   HD21  ASN  74          HD21      ASN  74  11.886   6.532   5.689
  552   HD22  ASN  74          HD22      ASN  74  12.445   7.460   7.046
  553    H    ILE  75           HN       ILE  75   8.172   5.482   3.614
  554    HA   ILE  75           HA       ILE  75   6.467   7.166   2.094
  555    HB   ILE  75           HB       ILE  75   6.775   4.177   1.802
  556   HG12  ILE  75          HG12      ILE  75   8.977   5.204   1.711
  557   HG13  ILE  75          HG11      ILE  75   8.487   4.717   0.090
  558   HG21  ILE  75          HG21      ILE  75   4.873   5.105   0.616
  559   HG22  ILE  75          HG22      ILE  75   6.125   4.610  -0.522
  560   HG23  ILE  75          HG23      ILE  75   5.911   6.317  -0.135
  561   HD11  ILE  75          HD11      ILE  75   8.410   7.502   1.216
  562   HD12  ILE  75          HD12      ILE  75   7.866   7.034  -0.394
  563   HD13  ILE  75          HD13      ILE  75   9.565   6.868   0.044
  564    H    SER  76           HN       SER  76   5.805   4.107   3.803
  565    HA   SER  76           HA       SER  76   3.104   4.046   3.149
  566    HB2  SER  76           HB2      SER  76   4.411   2.768   5.541
  567    HB3  SER  76           HB1      SER  76   2.871   2.299   4.815
  568    HG   SER  76           HG       SER  76   5.479   1.861   3.937
  569    H    ASN  77           HN       ASN  77   4.642   5.112   6.144
  570    HA   ASN  77           HA       ASN  77   2.115   5.720   7.293
  571    HB2  ASN  77           HB2      ASN  77   4.855   5.821   8.212
  572    HB3  ASN  77           HB1      ASN  77   3.902   7.184   8.806
  573   HD21  ASN  77          HD21      ASN  77   1.368   5.762   8.806
  574   HD22  ASN  77          HD22      ASN  77   1.429   4.626  10.114
  575    H    ASP  78           HN       ASP  78   4.180   7.602   5.219
  576    HA   ASP  78           HA       ASP  78   2.854  10.075   5.713
  577    HB2  ASP  78           HB2      ASP  78   4.370   8.993   3.364
  578    HB3  ASP  78           HB1      ASP  78   3.407  10.457   3.183
  579    H    ILE  79           HN       ILE  79   2.328   7.451   3.410
  580    HA   ILE  79           HA       ILE  79  -0.050   8.266   2.228
  581    HB   ILE  79           HB       ILE  79   0.845   5.488   3.023
  582   HG12  ILE  79          HG12      ILE  79   0.954   6.869   0.334
  583   HG13  ILE  79          HG11      ILE  79   2.319   6.723   1.443
  584   HG21  ILE  79          HG21      ILE  79  -0.759   4.666   1.327
  585   HG22  ILE  79          HG22      ILE  79  -1.408   6.302   1.197
  586   HG23  ILE  79          HG23      ILE  79  -1.531   5.422   2.723
  587   HD11  ILE  79          HD11      ILE  79   2.511   5.046  -0.244
  588   HD12  ILE  79          HD12      ILE  79   0.863   4.491   0.049
  589   HD13  ILE  79          HD13      ILE  79   2.105   4.257   1.279
  590    H    ASN  80           HN       ASN  80   0.589   7.091   5.416
  591    HA   ASN  80           HA       ASN  80  -2.154   6.364   5.871
  592    HB2  ASN  80           HB2      ASN  80   0.193   6.297   7.765
  593    HB3  ASN  80           HB1      ASN  80  -1.386   5.589   8.072
  594   HD21  ASN  80          HD21      ASN  80   1.278   4.350   7.942
  595   HD22  ASN  80          HD22      ASN  80   1.163   3.123   6.726
  596    H    LYS  81           HN       LYS  81   0.062   8.893   6.931
  597    HA   LYS  81           HA       LYS  81  -1.613  10.002   8.898
  598    HB2  LYS  81           HB2      LYS  81  -0.268  11.983   8.756
  599    HB3  LYS  81           HB1      LYS  81   0.802  10.605   8.520
  600    HG2  LYS  81           HG2      LYS  81   0.598  10.996   6.052
  601    HG3  LYS  81           HG1      LYS  81  -0.248  12.496   6.431
  602    HD2  LYS  81           HD2      LYS  81   1.714  13.258   7.700
  603    HD3  LYS  81           HD1      LYS  81   2.555  11.766   7.272
  604    HE2  LYS  81           HE2      LYS  81   2.210  12.378   4.865
  605    HE3  LYS  81           HE1      LYS  81   1.618  13.944   5.415
  606    HZ1  LYS  81           HZ1      LYS  81   3.903  14.164   4.882
  607    HZ2  LYS  81           HZ2      LYS  81   4.329  12.808   5.802
  608    HZ3  LYS  81           HZ3      LYS  81   3.788  14.216   6.569
  609    H    LEU  82           HN       LEU  82  -1.655  10.074   5.462
  610    HA   LEU  82           HA       LEU  82  -3.253  12.280   4.902
  611    HB2  LEU  82           HB2      LEU  82  -3.518   9.629   3.500
  612    HB3  LEU  82           HB1      LEU  82  -3.740  11.236   2.830
  613    HG   LEU  82           HG       LEU  82  -1.112   9.947   3.623
  614   HD11  LEU  82          HD11      LEU  82  -2.043   9.116   1.534
  615   HD12  LEU  82          HD12      LEU  82  -0.639  10.137   1.217
  616   HD13  LEU  82          HD13      LEU  82  -2.264  10.763   0.944
  617   HD21  LEU  82          HD21      LEU  82  -0.071  11.989   2.722
  618   HD22  LEU  82          HD22      LEU  82  -1.081  12.350   4.122
  619   HD23  LEU  82          HD23      LEU  82  -1.663  12.713   2.497
  620    H    ASN  83           HN       ASN  83  -4.033   9.262   6.397
  621    HA   ASN  83           HA       ASN  83  -5.982   8.026   6.575
  622    HB2  ASN  83           HB2      ASN  83  -6.750  10.740   7.632
  623    HB3  ASN  83           HB1      ASN  83  -7.738   9.299   7.845
  624   HD21  ASN  83          HD21      ASN  83  -5.180   7.645   8.062
  625   HD22  ASN  83          HD22      ASN  83  -4.642   7.936   9.681
  626    H    ILE  84           HN       ILE  84  -6.549   7.465   4.536
  627    HA   ILE  84           HA       ILE  84  -7.668   9.383   2.728
  628    HB   ILE  84           HB       ILE  84  -7.369   6.425   2.295
  629   HG12  ILE  84          HG12      ILE  84  -5.376   8.664   1.899
  630   HG13  ILE  84          HG11      ILE  84  -5.258   7.342   3.073
  631   HG21  ILE  84          HG21      ILE  84  -7.453   8.775   0.396
  632   HG22  ILE  84          HG22      ILE  84  -8.723   7.573   0.627
  633   HG23  ILE  84          HG23      ILE  84  -7.175   7.098  -0.071
  634   HD11  ILE  84          HD11      ILE  84  -3.817   6.973   1.128
  635   HD12  ILE  84          HD12      ILE  84  -5.228   7.039   0.070
  636   HD13  ILE  84          HD13      ILE  84  -5.071   5.739   1.248
  637    H    LYS  85           HN       LYS  85  -9.660   9.728   2.275
  638    HA   LYS  85           HA       LYS  85 -11.805   8.120   3.389
  639    HB2  LYS  85           HB2      LYS  85 -13.253   9.932   2.487
  640    HB3  LYS  85           HB1      LYS  85 -11.981  10.532   3.548
  641    HG2  LYS  85           HG2      LYS  85 -10.777  10.639   1.054
  642    HG3  LYS  85           HG1      LYS  85 -12.458  11.104   0.734
  643    HD2  LYS  85           HD2      LYS  85 -11.204  13.089   1.227
  644    HD3  LYS  85           HD1      LYS  85 -12.283  12.766   2.584
  645    HE2  LYS  85           HE2      LYS  85 -10.431  11.748   3.816
  646    HE3  LYS  85           HE1      LYS  85  -9.348  12.053   2.459
  647    HZ1  LYS  85           HZ1      LYS  85 -10.731  14.103   4.110
  648    HZ2  LYS  85           HZ2      LYS  85  -9.776  14.441   2.757
  649    HZ3  LYS  85           HZ3      LYS  85  -9.077  13.745   4.129
  650    H    GLY  86           HN       GLY  86 -10.229   6.811   1.504
  651    HA2  GLY  86           HA2      GLY  86 -11.396   7.044  -1.127
  652    HA3  GLY  86           HA1      GLY  86 -10.105   5.959  -0.641
  653    HA   PRO  87           HA       PRO  87 -14.375   3.816  -0.360
  654    HB2  PRO  87           HB2      PRO  87 -15.473   3.692  -2.792
  655    HB3  PRO  87           HB1      PRO  87 -15.686   5.129  -1.775
  656    HG2  PRO  87           HG2      PRO  87 -13.746   4.665  -4.017
  657    HG3  PRO  87           HG1      PRO  87 -14.792   6.074  -3.728
  658    HD2  PRO  87           HD2      PRO  87 -12.157   5.999  -3.025
  659    HD3  PRO  87           HD1      PRO  87 -13.368   6.953  -2.143
  660    H    TYR  88           HN       TYR  88 -12.512   3.634  -3.403
  661    HA   TYR  88           HA       TYR  88 -12.007   0.814  -2.800
  662    HB2  TYR  88           HB2      TYR  88 -12.110   1.835  -5.629
  663    HB3  TYR  88           HB1      TYR  88 -12.187   0.170  -5.046
  664    HD1  TYR  88           HD1      TYR  88 -14.095   3.226  -5.684
  665    HD2  TYR  88           HD2      TYR  88 -14.259  -0.752  -4.201
  666    HE1  TYR  88           HE1      TYR  88 -16.548   3.283  -5.828
  667    HE2  TYR  88           HE2      TYR  88 -16.712  -0.707  -4.336
  668    HH   TYR  88           HH       TYR  88 -18.411   1.728  -6.005
  669    H    ILE  89           HN       ILE  89  -9.989   0.987  -1.999
  670    HA   ILE  89           HA       ILE  89  -8.040   2.609  -3.465
  671    HB   ILE  89           HB       ILE  89  -7.966   1.435  -0.686
  672   HG12  ILE  89          HG12      ILE  89  -9.335   3.495  -1.185
  673   HG13  ILE  89          HG11      ILE  89  -8.110   3.690   0.073
  674   HG21  ILE  89          HG21      ILE  89  -5.796   2.540  -0.401
  675   HG22  ILE  89          HG22      ILE  89  -5.807   2.994  -2.106
  676   HG23  ILE  89          HG23      ILE  89  -5.733   1.293  -1.647
  677   HD11  ILE  89          HD11      ILE  89  -7.990   4.659  -2.776
  678   HD12  ILE  89          HD12      ILE  89  -6.637   4.732  -1.649
  679   HD13  ILE  89          HD13      ILE  89  -8.114   5.634  -1.315
  680    H    GLU  90           HN       GLU  90  -6.647   1.703  -4.737
  681    HA   GLU  90           HA       GLU  90  -6.150  -1.183  -4.524
  682    HB2  GLU  90           HB2      GLU  90  -5.486   0.708  -6.769
  683    HB3  GLU  90           HB1      GLU  90  -5.391  -1.045  -6.810
  684    HG2  GLU  90           HG2      GLU  90  -7.810  -1.191  -6.559
  685    HG3  GLU  90           HG1      GLU  90  -7.914   0.571  -6.484
  686    H    ILE  91           HN       ILE  91  -4.537  -1.379  -3.083
  687    HA   ILE  91           HA       ILE  91  -2.226   0.382  -3.369
  688    HB   ILE  91           HB       ILE  91  -3.443   0.245  -1.166
  689   HG12  ILE  91          HG12      ILE  91  -0.733  -0.748  -0.543
  690   HG13  ILE  91          HG11      ILE  91  -0.825   0.644  -1.624
  691   HG21  ILE  91          HG21      ILE  91  -2.196  -2.484  -0.950
  692   HG22  ILE  91          HG22      ILE  91  -3.914  -2.166  -1.203
  693   HG23  ILE  91          HG23      ILE  91  -3.133  -1.644   0.290
  694   HD11  ILE  91          HD11      ILE  91  -1.992   0.443   1.143
  695   HD12  ILE  91          HD12      ILE  91  -2.139   1.832   0.067
  696   HD13  ILE  91          HD13      ILE  91  -0.553   1.348   0.668
  697    H    LYS  92           HN       LYS  92  -0.914  -0.466  -4.883
  698    HA   LYS  92           HA       LYS  92   0.283  -3.065  -4.530
  699    HB2  LYS  92           HB2      LYS  92  -0.491  -3.854  -6.814
  700    HB3  LYS  92           HB1      LYS  92  -1.740  -3.835  -5.570
  701    HG2  LYS  92           HG2      LYS  92  -2.865  -2.884  -7.331
  702    HG3  LYS  92           HG1      LYS  92  -2.236  -1.449  -6.515
  703    HD2  LYS  92           HD2      LYS  92  -1.798  -1.092  -8.786
  704    HD3  LYS  92           HD1      LYS  92  -0.259  -1.600  -8.098
  705    HE2  LYS  92           HE2      LYS  92  -0.551  -2.738 -10.180
  706    HE3  LYS  92           HE1      LYS  92  -0.748  -3.916  -8.879
  707    HZ1  LYS  92           HZ1      LYS  92  -2.948  -2.592 -10.367
  708    HZ2  LYS  92           HZ2      LYS  92  -3.144  -3.718  -9.121
  709    HZ3  LYS  92           HZ3      LYS  92  -2.432  -4.187 -10.580
  710    H    GLN  93           HN       GLN  93   1.978  -3.419  -6.307
  711    HA   GLN  93           HA       GLN  93   2.685  -0.809  -7.425
  712    HB2  GLN  93           HB2      GLN  93   4.966  -1.643  -7.734
  713    HB3  GLN  93           HB1      GLN  93   4.451  -1.648  -6.063
  714    HG2  GLN  93           HG2      GLN  93   5.339  -3.690  -6.020
  715    HG3  GLN  93           HG1      GLN  93   3.861  -4.191  -6.850
  716   HE21  GLN  93          HE21      GLN  93   7.176  -3.115  -7.338
  717   HE22  GLN  93          HE22      GLN  93   7.393  -3.914  -8.867
  718    H    ILE  94           HN       ILE  94   3.939  -1.038  -9.603
  719    HA   ILE  94           HA       ILE  94   1.759  -2.167 -11.216
  720    HB   ILE  94           HB       ILE  94   2.514  -0.187 -12.777
  721   HG12  ILE  94          HG12      ILE  94   3.732   0.438 -10.109
  722   HG13  ILE  94          HG11      ILE  94   4.371   0.739 -11.719
  723   HG21  ILE  94          HG21      ILE  94   0.925   0.189 -10.245
  724   HG22  ILE  94          HG22      ILE  94   0.315  -0.436 -11.777
  725   HG23  ILE  94          HG23      ILE  94   0.857   1.238 -11.660
  726   HD11  ILE  94          HD11      ILE  94   3.845   2.803 -10.609
  727   HD12  ILE  94          HD12      ILE  94   2.190   2.267 -10.335
  728   HD13  ILE  94          HD13      ILE  94   2.757   2.572 -11.979
  Start of MODEL   11
    1    H    ASP   1           HT1      ASP   1 -19.159  -9.484   7.207
    2    HA   ASP   1           HA       ASP   1 -17.637  -9.861   5.412
    3    HB2  ASP   1           HB2      ASP   1 -20.093 -10.699   3.854
    4    HB3  ASP   1           HB1      ASP   1 -18.473 -10.517   3.196
    5    H    ASN   2           HN       ASN   2 -17.145  -8.072   4.200
    6    HA   ASN   2           HA       ASN   2 -19.329  -6.154   3.719
    7    HB2  ASN   2           HB2      ASN   2 -17.888  -4.287   4.268
    8    HB3  ASN   2           HB1      ASN   2 -17.906  -5.401   5.628
    9   HD21  ASN   2          HD21      ASN   2 -16.065  -6.543   6.137
   10   HD22  ASN   2          HD22      ASN   2 -14.510  -6.148   5.487
   11    H    GLN   3           HN       GLN   3 -16.312  -7.560   2.698
   12    HA   GLN   3           HA       GLN   3 -16.449  -6.196   0.137
   13    HB2  GLN   3           HB2      GLN   3 -14.504  -8.173   1.293
   14    HB3  GLN   3           HB1      GLN   3 -14.475  -7.685  -0.392
   15    HG2  GLN   3           HG2      GLN   3 -13.987  -5.987   2.032
   16    HG3  GLN   3           HG1      GLN   3 -12.874  -6.372   0.717
   17   HE21  GLN   3          HE21      GLN   3 -15.549  -4.407   1.719
   18   HE22  GLN   3          HE22      GLN   3 -15.500  -3.313   0.378
   19    H    LYS   4           HN       LYS   4 -18.431  -8.079   1.218
   20    HA   LYS   4           HA       LYS   4 -18.557 -10.452  -0.230
   21    HB2  LYS   4           HB2      LYS   4 -20.075  -9.865   1.622
   22    HB3  LYS   4           HB1      LYS   4 -20.811  -8.621   0.626
   23    HG2  LYS   4           HG2      LYS   4 -21.576 -10.354  -0.942
   24    HG3  LYS   4           HG1      LYS   4 -20.886 -11.586   0.112
   25    HD2  LYS   4           HD2      LYS   4 -23.061  -9.636   0.874
   26    HD3  LYS   4           HD1      LYS   4 -23.303 -11.333   0.463
   27    HE2  LYS   4           HE2      LYS   4 -21.835 -11.947   2.370
   28    HE3  LYS   4           HE1      LYS   4 -21.750 -10.242   2.804
   29    HZ1  LYS   4           HZ1      LYS   4 -24.143 -10.239   3.118
   30    HZ2  LYS   4           HZ2      LYS   4 -23.413 -11.400   4.106
   31    HZ3  LYS   4           HZ3      LYS   4 -24.225 -11.876   2.704
   32    H    ALA   5           HN       ALA   5 -19.518  -7.157  -1.065
   33    HA   ALA   5           HA       ALA   5 -20.187  -7.949  -3.776
   34    HB1  ALA   5           HB1      ALA   5 -20.841  -5.629  -4.103
   35    HB2  ALA   5           HB2      ALA   5 -20.215  -5.225  -2.505
   36    HB3  ALA   5           HB3      ALA   5 -21.602  -6.302  -2.662
   37    H    LEU   6           HN       LEU   6 -18.146  -5.414  -2.418
   38    HA   LEU   6           HA       LEU   6 -16.529  -5.281  -4.785
   39    HB2  LEU   6           HB2      LEU   6 -16.278  -3.960  -2.083
   40    HB3  LEU   6           HB1      LEU   6 -15.126  -3.703  -3.382
   41    HG   LEU   6           HG       LEU   6 -17.104  -2.877  -4.770
   42   HD11  LEU   6          HD11      LEU   6 -18.376  -2.774  -2.043
   43   HD12  LEU   6          HD12      LEU   6 -18.902  -3.765  -3.405
   44   HD13  LEU   6          HD13      LEU   6 -19.005  -2.008  -3.501
   45   HD21  LEU   6          HD21      LEU   6 -17.000  -0.648  -3.766
   46   HD22  LEU   6          HD22      LEU   6 -15.406  -1.397  -3.860
   47   HD23  LEU   6          HD23      LEU   6 -16.263  -1.338  -2.320
   48    H    GLU   7           HN       GLU   7 -14.559  -6.171  -5.139
   49    HA   GLU   7           HA       GLU   7 -13.600  -8.074  -3.119
   50    HB2  GLU   7           HB2      GLU   7 -14.184  -8.914  -5.386
   51    HB3  GLU   7           HB1      GLU   7 -12.949  -7.873  -6.072
   52    HG2  GLU   7           HG2      GLU   7 -12.264 -10.226  -5.887
   53    HG3  GLU   7           HG1      GLU   7 -11.215  -9.127  -5.004
   54    H    GLU   8           HN       GLU   8 -13.111  -5.212  -2.910
   55    HA   GLU   8           HA       GLU   8 -10.464  -4.779  -4.062
   56    HB2  GLU   8           HB2      GLU   8 -12.604  -2.982  -3.005
   57    HB3  GLU   8           HB1      GLU   8 -10.949  -2.396  -3.068
   58    HG2  GLU   8           HG2      GLU   8 -12.228  -1.731  -5.032
   59    HG3  GLU   8           HG1      GLU   8 -10.870  -2.767  -5.456
   60    H    GLN   9           HN       GLN   9 -12.060  -4.630  -0.887
   61    HA   GLN   9           HA       GLN   9  -9.481  -4.204   0.411
   62    HB2  GLN   9           HB2      GLN   9 -12.304  -4.329   1.468
   63    HB3  GLN   9           HB1      GLN   9 -10.912  -4.285   2.532
   64    HG2  GLN   9           HG2      GLN   9 -11.710  -2.086   2.409
   65    HG3  GLN   9           HG1      GLN   9 -10.263  -2.128   1.410
   66   HE21  GLN   9          HE21      GLN   9 -10.438  -1.805  -0.777
   67   HE22  GLN   9          HE22      GLN   9 -11.898  -1.290  -1.543
   68    H    MET  10           HN       MET  10 -10.435  -6.773  -0.977
   69    HA   MET  10           HA       MET  10 -10.152  -8.585   1.312
   70    HB2  MET  10           HB2      MET  10 -11.934  -8.572  -0.961
   71    HB3  MET  10           HB1      MET  10 -11.052 -10.084  -0.879
   72    HG2  MET  10           HG2      MET  10 -12.491  -8.953   1.495
   73    HG3  MET  10           HG1      MET  10 -13.304  -9.951   0.293
   74    HE1  MET  10           HE1      MET  10 -10.226 -11.347   3.414
   75    HE2  MET  10           HE2      MET  10 -10.948  -9.743   3.284
   76    HE3  MET  10           HE3      MET  10  -9.684 -10.237   2.158
   77    H    ASN  11           HN       ASN  11  -9.756 -10.854  -0.544
   78    HA   ASN  11           HA       ASN  11  -7.104 -11.283  -0.233
   79    HB2  ASN  11           HB2      ASN  11  -8.977 -12.344  -2.332
   80    HB3  ASN  11           HB1      ASN  11  -7.320 -12.917  -2.181
   81   HD21  ASN  11          HD21      ASN  11  -9.875 -14.313  -1.802
   82   HD22  ASN  11          HD22      ASN  11  -9.817 -14.963  -0.199
   83    H    SER  12           HN       SER  12  -8.564  -9.547  -2.928
   84    HA   SER  12           HA       SER  12  -6.506  -9.491  -4.748
   85    HB2  SER  12           HB2      SER  12  -8.221  -7.111  -4.018
   86    HB3  SER  12           HB1      SER  12  -7.444  -7.429  -5.572
   87    HG   SER  12           HG       SER  12  -9.845  -8.174  -4.774
   88    H    ILE  13           HN       ILE  13  -6.932  -7.310  -1.958
   89    HA   ILE  13           HA       ILE  13  -4.376  -6.046  -2.501
   90    HB   ILE  13           HB       ILE  13  -6.207  -4.637  -1.719
   91   HG12  ILE  13          HG12      ILE  13  -3.941  -4.933   0.258
   92   HG13  ILE  13          HG11      ILE  13  -3.987  -3.881  -1.154
   93   HG21  ILE  13          HG21      ILE  13  -7.452  -6.215  -0.388
   94   HG22  ILE  13          HG22      ILE  13  -7.034  -4.814   0.600
   95   HG23  ILE  13          HG23      ILE  13  -6.133  -6.319   0.779
   96   HD11  ILE  13          HD11      ILE  13  -4.333  -2.671   0.949
   97   HD12  ILE  13          HD12      ILE  13  -5.783  -3.634   1.245
   98   HD13  ILE  13          HD13      ILE  13  -5.714  -2.541  -0.138
   99    H    ASN  14           HN       ASN  14  -5.697  -8.493  -0.416
  100    HA   ASN  14           HA       ASN  14  -3.624  -8.469   1.526
  101    HB2  ASN  14           HB2      ASN  14  -5.565 -10.610   0.737
  102    HB3  ASN  14           HB1      ASN  14  -4.466 -10.759   2.095
  103   HD21  ASN  14          HD21      ASN  14  -6.174 -10.956   3.543
  104   HD22  ASN  14          HD22      ASN  14  -7.152  -9.605   4.002
  105    H    SER  15           HN       SER  15  -4.100 -10.230  -1.511
  106    HA   SER  15           HA       SER  15  -1.835 -11.893  -1.280
  107    HB2  SER  15           HB2      SER  15  -3.125 -10.762  -3.777
  108    HB3  SER  15           HB1      SER  15  -1.990 -12.113  -3.733
  109    HG   SER  15           HG       SER  15  -3.779 -12.794  -2.021
  110    H    VAL  16           HN       VAL  16  -2.265  -8.569  -2.241
  111    HA   VAL  16           HA       VAL  16   0.444  -8.124  -3.012
  112    HB   VAL  16           HB       VAL  16  -1.671  -6.172  -2.071
  113   HG11  VAL  16          HG11      VAL  16  -0.252  -4.437  -3.072
  114   HG12  VAL  16          HG12      VAL  16   0.996  -5.645  -3.381
  115   HG13  VAL  16          HG13      VAL  16   0.549  -5.241  -1.723
  116   HG21  VAL  16          HG21      VAL  16  -2.243  -7.334  -4.141
  117   HG22  VAL  16          HG22      VAL  16  -0.691  -6.861  -4.836
  118   HG23  VAL  16          HG23      VAL  16  -1.893  -5.632  -4.442
  119    H    ASN  17           HN       ASN  17  -1.381  -7.982   0.022
  120    HA   ASN  17           HA       ASN  17   0.648  -6.790   1.601
  121    HB2  ASN  17           HB2      ASN  17  -1.725  -8.514   2.197
  122    HB3  ASN  17           HB1      ASN  17  -0.525  -8.270   3.459
  123   HD21  ASN  17          HD21      ASN  17  -2.945  -6.745   1.468
  124   HD22  ASN  17          HD22      ASN  17  -3.059  -5.287   2.399
  125    H    ASP  18           HN       ASP  18  -0.071 -10.149   0.782
  126    HA   ASP  18           HA       ASP  18   2.058 -11.303   2.266
  127    HB2  ASP  18           HB2      ASP  18   0.387 -12.310  -0.038
  128    HB3  ASP  18           HB1      ASP  18   1.663 -13.281   0.693
  129    H    LYS  19           HN       LYS  19   1.895  -9.725  -0.792
  130    HA   LYS  19           HA       LYS  19   4.318 -10.921  -1.831
  131    HB2  LYS  19           HB2      LYS  19   2.487 -10.224  -3.350
  132    HB3  LYS  19           HB1      LYS  19   2.715  -8.557  -2.842
  133    HG2  LYS  19           HG2      LYS  19   4.993  -8.607  -3.747
  134    HG3  LYS  19           HG1      LYS  19   4.725 -10.262  -4.302
  135    HD2  LYS  19           HD2      LYS  19   2.828  -9.418  -5.677
  136    HD3  LYS  19           HD1      LYS  19   3.268  -7.777  -5.200
  137    HE2  LYS  19           HE2      LYS  19   5.021  -9.726  -6.693
  138    HE3  LYS  19           HE1      LYS  19   4.185  -8.341  -7.392
  139    HZ1  LYS  19           HZ1      LYS  19   6.545  -7.921  -6.928
  140    HZ2  LYS  19           HZ2      LYS  19   6.266  -8.155  -5.279
  141    HZ3  LYS  19           HZ3      LYS  19   5.530  -6.861  -6.088
  142    H    LEU  20           HN       LEU  20   3.292  -8.077  -0.158
  143    HA   LEU  20           HA       LEU  20   5.806  -6.700  -0.489
  144    HB2  LEU  20           HB2      LEU  20   3.341  -6.089   1.127
  145    HB3  LEU  20           HB1      LEU  20   4.722  -5.011   0.982
  146    HG   LEU  20           HG       LEU  20   2.937  -5.918  -1.293
  147   HD11  LEU  20          HD11      LEU  20   3.187  -3.174  -0.088
  148   HD12  LEU  20          HD12      LEU  20   1.937  -4.330   0.356
  149   HD13  LEU  20          HD13      LEU  20   2.030  -3.730  -1.296
  150   HD21  LEU  20          HD21      LEU  20   5.232  -3.954  -1.267
  151   HD22  LEU  20          HD22      LEU  20   4.173  -4.288  -2.633
  152   HD23  LEU  20          HD23      LEU  20   5.238  -5.547  -2.020
  153    H    ASN  21           HN       ASN  21   4.109  -8.518   1.997
  154    HA   ASN  21           HA       ASN  21   6.258  -8.266   3.894
  155    HB2  ASN  21           HB2      ASN  21   3.744  -9.918   3.753
  156    HB3  ASN  21           HB1      ASN  21   4.983 -10.292   4.950
  157   HD21  ASN  21          HD21      ASN  21   2.628  -7.909   3.897
  158   HD22  ASN  21          HD22      ASN  21   2.603  -7.017   5.379
  159    H    LYS  22           HN       LYS  22   8.027  -8.831   2.581
  160    HA   LYS  22           HA       LYS  22   8.013 -11.565   1.501
  161    HB2  LYS  22           HB2      LYS  22   9.499 -10.528  -0.319
  162    HB3  LYS  22           HB1      LYS  22   7.776 -10.167  -0.350
  163    HG2  LYS  22           HG2      LYS  22   8.499  -8.054  -0.615
  164    HG3  LYS  22           HG1      LYS  22   8.655  -8.101   1.140
  165    HD2  LYS  22           HD2      LYS  22  11.036  -9.160   0.302
  166    HD3  LYS  22           HD1      LYS  22  10.706  -7.939  -0.933
  167    HE2  LYS  22           HE2      LYS  22  10.414  -6.251   0.831
  168    HE3  LYS  22           HE1      LYS  22  10.809  -7.465   2.053
  169    HZ1  LYS  22           HZ1      LYS  22  12.721  -6.092   1.369
  170    HZ2  LYS  22           HZ2      LYS  22  12.590  -6.722  -0.195
  171    HZ3  LYS  22           HZ3      LYS  22  12.958  -7.742   1.092
  172    H    GLY  23           HN       GLY  23   9.465  -9.909   3.880
  173    HA2  GLY  23           HA2      GLY  23  11.203 -11.493   4.900
  174    HA3  GLY  23           HA1      GLY  23  12.097 -11.150   3.419
  175    H    LYS  24           HN       LYS  24  12.690  -8.942   3.009
  176    HA   LYS  24           HA       LYS  24  13.441  -7.425   5.335
  177    HB2  LYS  24           HB2      LYS  24  13.674  -6.968   2.381
  178    HB3  LYS  24           HB1      LYS  24  13.946  -5.632   3.480
  179    HG2  LYS  24           HG2      LYS  24  15.657  -7.195   4.603
  180    HG3  LYS  24           HG1      LYS  24  15.532  -8.140   3.114
  181    HD2  LYS  24           HD2      LYS  24  16.010  -6.048   1.840
  182    HD3  LYS  24           HD1      LYS  24  16.331  -5.248   3.375
  183    HE2  LYS  24           HE2      LYS  24  17.789  -7.698   2.406
  184    HE3  LYS  24           HE1      LYS  24  18.373  -6.050   2.193
  185    HZ1  LYS  24           HZ1      LYS  24  18.372  -5.800   4.610
  186    HZ2  LYS  24           HZ2      LYS  24  19.381  -7.062   4.117
  187    HZ3  LYS  24           HZ3      LYS  24  17.868  -7.403   4.787
  188    H    GLY  25           HN       GLY  25  12.840  -4.793   4.215
  189    HA2  GLY  25           HA2      GLY  25  10.662  -4.134   5.675
  190    HA3  GLY  25           HA1      GLY  25  11.135  -3.255   4.257
  191    H    LYS  26           HN       LYS  26   8.523  -3.706   5.407
  192    HA   LYS  26           HA       LYS  26   7.208  -4.936   3.134
  193    HB2  LYS  26           HB2      LYS  26   6.072  -6.581   4.614
  194    HB3  LYS  26           HB1      LYS  26   7.817  -6.813   4.434
  195    HG2  LYS  26           HG2      LYS  26   8.056  -5.526   6.606
  196    HG3  LYS  26           HG1      LYS  26   6.320  -5.773   6.825
  197    HD2  LYS  26           HD2      LYS  26   7.497  -7.535   7.979
  198    HD3  LYS  26           HD1      LYS  26   6.718  -8.228   6.557
  199    HE2  LYS  26           HE2      LYS  26   8.729  -8.379   5.384
  200    HE3  LYS  26           HE1      LYS  26   9.561  -7.257   6.466
  201    HZ1  LYS  26           HZ1      LYS  26  10.269  -9.519   6.870
  202    HZ2  LYS  26           HZ2      LYS  26   8.673 -10.029   7.118
  203    HZ3  LYS  26           HZ3      LYS  26   9.400  -8.967   8.210
  204    H    LEU  27           HN       LEU  27   5.064  -4.407   2.915
  205    HA   LEU  27           HA       LEU  27   4.149  -2.240   4.671
  206    HB2  LEU  27           HB2      LEU  27   3.083  -3.022   1.935
  207    HB3  LEU  27           HB1      LEU  27   2.626  -1.610   2.870
  208    HG   LEU  27           HG       LEU  27   5.074  -0.875   2.627
  209   HD11  LEU  27          HD11      LEU  27   6.239  -1.723   0.659
  210   HD12  LEU  27          HD12      LEU  27   4.966  -2.913   0.409
  211   HD13  LEU  27          HD13      LEU  27   5.983  -3.003   1.843
  212   HD21  LEU  27          HD21      LEU  27   4.618   0.099   0.420
  213   HD22  LEU  27          HD22      LEU  27   3.230   0.221   1.503
  214   HD23  LEU  27          HD23      LEU  27   3.251  -1.000   0.231
  215    H    SER  28           HN       SER  28   2.330  -2.455   5.857
  216    HA   SER  28           HA       SER  28   0.637  -4.820   5.357
  217    HB2  SER  28           HB2      SER  28   1.824  -4.652   7.609
  218    HB3  SER  28           HB1      SER  28   0.811  -3.249   7.945
  219    HG   SER  28           HG       SER  28  -0.028  -5.919   7.464
  220    H    LEU  29           HN       LEU  29  -0.977  -4.027   4.054
  221    HA   LEU  29           HA       LEU  29  -1.890  -1.290   4.374
  222    HB2  LEU  29           HB2      LEU  29  -2.788  -3.371   2.394
  223    HB3  LEU  29           HB1      LEU  29  -3.138  -1.653   2.335
  224    HG   LEU  29           HG       LEU  29  -1.498  -1.902   0.746
  225   HD11  LEU  29          HD11      LEU  29   0.539  -0.881   1.581
  226   HD12  LEU  29          HD12      LEU  29   0.046  -1.250   3.232
  227   HD13  LEU  29          HD13      LEU  29  -0.896  -0.115   2.264
  228   HD21  LEU  29          HD21      LEU  29   0.132  -3.668   2.542
  229   HD22  LEU  29          HD22      LEU  29   0.436  -3.284   0.851
  230   HD23  LEU  29          HD23      LEU  29  -0.968  -4.255   1.295
  231    H    SER  30           HN       SER  30  -3.605  -0.686   5.473
  232    HA   SER  30           HA       SER  30  -5.868  -2.499   5.483
  233    HB2  SER  30           HB2      SER  30  -4.845  -1.139   7.984
  234    HB3  SER  30           HB1      SER  30  -6.299  -2.139   7.871
  235    HG   SER  30           HG       SER  30  -4.494  -3.672   6.911
  236    H    MET  31           HN       MET  31  -7.702  -1.493   4.973
  237    HA   MET  31           HA       MET  31  -7.745   1.445   4.977
  238    HB2  MET  31           HB2      MET  31  -9.826  -0.358   3.742
  239    HB3  MET  31           HB1      MET  31  -9.482   1.323   3.364
  240    HG2  MET  31           HG2      MET  31  -7.327   0.641   2.402
  241    HG3  MET  31           HG1      MET  31  -7.735  -1.040   2.731
  242    HE1  MET  31           HE1      MET  31  -7.628  -2.029   0.380
  243    HE2  MET  31           HE2      MET  31  -6.868  -0.504  -0.078
  244    HE3  MET  31           HE3      MET  31  -8.166  -1.174  -1.066
  245    H    ASN  32           HN       ASN  32  -8.852   2.474   6.527
  246    HA   ASN  32           HA       ASN  32 -10.999   1.010   7.905
  247    HB2  ASN  32           HB2      ASN  32  -8.830   2.595   9.306
  248    HB3  ASN  32           HB1      ASN  32 -10.190   1.786  10.082
  249   HD21  ASN  32          HD21      ASN  32 -10.230  -0.493  10.129
  250   HD22  ASN  32          HD22      ASN  32  -8.767  -1.413   9.958
  251    H    GLY  33           HN       GLY  33 -12.532   2.259   6.847
  252    HA2  GLY  33           HA2      GLY  33 -14.015   3.986   6.659
  253    HA3  GLY  33           HA1      GLY  33 -13.419   4.520   8.222
  254    H    ASN  34           HN       ASN  34 -12.283   6.413   8.294
  255    HA   ASN  34           HA       ASN  34 -11.906   7.837   5.776
  256    HB2  ASN  34           HB2      ASN  34 -11.565   9.815   7.200
  257    HB3  ASN  34           HB1      ASN  34 -13.071   8.998   7.606
  258   HD21  ASN  34          HD21      ASN  34  -9.662   9.231   8.556
  259   HD22  ASN  34          HD22      ASN  34  -9.951   8.991  10.259
  260    H    GLN  35           HN       GLN  35 -10.072   5.664   6.690
  261    HA   GLN  35           HA       GLN  35  -7.599   7.178   6.803
  262    HB2  GLN  35           HB2      GLN  35  -8.065   6.908   9.127
  263    HB3  GLN  35           HB1      GLN  35  -8.506   5.216   8.907
  264    HG2  GLN  35           HG2      GLN  35  -6.152   4.768   8.221
  265    HG3  GLN  35           HG1      GLN  35  -5.766   6.433   8.666
  266   HE21  GLN  35          HE21      GLN  35  -6.704   3.297   9.851
  267   HE22  GLN  35          HE22      GLN  35  -6.316   3.590  11.516
  268    H    LEU  36           HN       LEU  36  -5.976   6.253   5.793
  269    HA   LEU  36           HA       LEU  36  -6.035   3.350   5.370
  270    HB2  LEU  36           HB2      LEU  36  -6.006   4.900   3.314
  271    HB3  LEU  36           HB1      LEU  36  -4.385   5.341   3.805
  272    HG   LEU  36           HG       LEU  36  -4.459   3.649   1.984
  273   HD11  LEU  36          HD11      LEU  36  -3.231   2.644   4.543
  274   HD12  LEU  36          HD12      LEU  36  -2.496   3.790   3.422
  275   HD13  LEU  36          HD13      LEU  36  -2.804   2.131   2.910
  276   HD21  LEU  36          HD21      LEU  36  -5.531   1.790   4.094
  277   HD22  LEU  36          HD22      LEU  36  -5.153   1.400   2.416
  278   HD23  LEU  36          HD23      LEU  36  -6.488   2.489   2.789
  279    H    LYS  37           HN       LYS  37  -4.599   2.324   6.622
  280    HA   LYS  37           HA       LYS  37  -2.225   3.832   7.546
  281    HB2  LYS  37           HB2      LYS  37  -2.408   2.704   9.733
  282    HB3  LYS  37           HB1      LYS  37  -3.771   3.756   9.410
  283    HG2  LYS  37           HG2      LYS  37  -4.801   1.941  10.346
  284    HG3  LYS  37           HG1      LYS  37  -4.945   1.577   8.631
  285    HD2  LYS  37           HD2      LYS  37  -4.297  -0.418   9.790
  286    HD3  LYS  37           HD1      LYS  37  -2.933   0.130   8.823
  287    HE2  LYS  37           HE2      LYS  37  -1.754   0.873  10.710
  288    HE3  LYS  37           HE1      LYS  37  -3.196   0.863  11.723
  289    HZ1  LYS  37           HZ1      LYS  37  -3.204  -1.528  11.664
  290    HZ2  LYS  37           HZ2      LYS  37  -1.686  -0.995  12.184
  291    HZ3  LYS  37           HZ3      LYS  37  -1.887  -1.559  10.601
  292    H    ALA  38           HN       ALA  38  -0.378   2.655   7.621
  293    HA   ALA  38           HA       ALA  38  -0.355  -0.152   6.921
  294    HB1  ALA  38           HB1      ALA  38   0.992   0.175   4.897
  295    HB2  ALA  38           HB2      ALA  38   0.800   1.922   5.049
  296    HB3  ALA  38           HB3      ALA  38  -0.605   0.905   4.730
  297    H    THR  39           HN       THR  39   1.150  -0.982   8.165
  298    HA   THR  39           HA       THR  39   3.286   0.757   9.133
  299    HB   THR  39           HB       THR  39   3.706  -1.076  10.771
  300    HG1  THR  39           HG1      THR  39   2.837  -2.781   9.505
  301   HG21  THR  39          HG21      THR  39   1.660  -0.715  12.097
  302   HG22  THR  39          HG22      THR  39   0.869  -0.036  10.674
  303   HG23  THR  39          HG23      THR  39   2.257   0.784  11.389
  304    H    SER  40           HN       SER  40   5.423   0.188   8.939
  305    HA   SER  40           HA       SER  40   5.990  -1.888   6.937
  306    HB2  SER  40           HB2      SER  40   8.066  -0.577   6.460
  307    HB3  SER  40           HB1      SER  40   6.582   0.304   6.093
  308    HG   SER  40           HG       SER  40   6.891   1.139   8.365
  309    H    SER  41           HN       SER  41   6.899  -3.632   7.774
  310    HA   SER  41           HA       SER  41   8.176  -3.446  10.358
  311    HB2  SER  41           HB2      SER  41   7.714  -5.877   8.643
  312    HB3  SER  41           HB1      SER  41   8.223  -5.877  10.328
  313    HG   SER  41           HG       SER  41   6.205  -5.759  10.851
  314    H    ASN  42           HN       ASN  42  10.153  -5.100  10.477
  315    HA   ASN  42           HA       ASN  42  12.372  -5.337  10.130
  316    HB2  ASN  42           HB2      ASN  42  11.386  -5.409   7.534
  317    HB3  ASN  42           HB1      ASN  42  12.619  -4.155   7.472
  318   HD21  ASN  42          HD21      ASN  42  11.983  -7.515   8.153
  319   HD22  ASN  42          HD22      ASN  42  13.623  -8.058   8.007
  320    H    ALA  43           HN       ALA  43  11.099  -3.027  11.184
  321    HA   ALA  43           HA       ALA  43  11.671  -1.044  12.102
  322    HB1  ALA  43           HB1      ALA  43  13.639  -2.345  12.744
  323    HB2  ALA  43           HB2      ALA  43  14.014  -0.637  12.510
  324    HB3  ALA  43           HB3      ALA  43  14.458  -1.814  11.275
  325    H    GLY  44           HN       GLY  44  10.910  -1.026   9.291
  326    HA2  GLY  44           HA2      GLY  44  10.474   0.783   7.907
  327    HA3  GLY  44           HA1      GLY  44  11.621   1.734   8.842
  328    H    TYR  45           HN       TYR  45  13.086  -1.129   7.938
  329    HA   TYR  45           HA       TYR  45  14.829   0.084   6.080
  330    HB2  TYR  45           HB2      TYR  45  14.320  -2.726   6.963
  331    HB3  TYR  45           HB1      TYR  45  15.265  -2.465   5.500
  332    HD1  TYR  45           HD1      TYR  45  15.139  -1.839   9.140
  333    HD2  TYR  45           HD2      TYR  45  17.532  -1.685   5.621
  334    HE1  TYR  45           HE1      TYR  45  17.136  -1.468  10.517
  335    HE2  TYR  45           HE2      TYR  45  19.533  -1.315   6.996
  336    HH   TYR  45           HH       TYR  45  19.586  -1.814  10.328
  337    H    GLY  46           HN       GLY  46  15.045  -0.275   3.844
  338    HA2  GLY  46           HA2      GLY  46  12.566  -0.219   2.430
  339    HA3  GLY  46           HA1      GLY  46  14.176  -0.172   1.720
  340    H    ILE  47           HN       ILE  47  12.382  -1.552   0.355
  341    HA   ILE  47           HA       ILE  47  12.061  -4.272   0.977
  342    HB   ILE  47           HB       ILE  47  12.448  -3.015  -1.712
  343   HG12  ILE  47          HG12      ILE  47  10.557  -2.013  -0.514
  344   HG13  ILE  47          HG11      ILE  47   9.983  -2.987  -1.863
  345   HG21  ILE  47          HG21      ILE  47  12.805  -5.317  -1.956
  346   HG22  ILE  47          HG22      ILE  47  11.180  -4.978  -2.562
  347   HG23  ILE  47          HG23      ILE  47  11.391  -5.708  -0.973
  348   HD11  ILE  47          HD11      ILE  47   9.420  -4.789  -0.325
  349   HD12  ILE  47          HD12      ILE  47   8.594  -3.289   0.096
  350   HD13  ILE  47          HD13      ILE  47   9.996  -3.816   1.027
  351    H    SER  48           HN       SER  48  14.287  -2.908  -1.431
  352    HA   SER  48           HA       SER  48  16.355  -4.562  -0.357
  353    HB2  SER  48           HB2      SER  48  15.165  -6.038  -1.947
  354    HB3  SER  48           HB1      SER  48  15.531  -4.893  -3.240
  355    HG   SER  48           HG       SER  48  17.086  -6.473  -3.277
  356    H    TYR  49           HN       TYR  49  16.196  -3.254  -3.621
  357    HA   TYR  49           HA       TYR  49  17.648  -0.885  -3.168
  358    HB2  TYR  49           HB2      TYR  49  19.333  -2.532  -2.373
  359    HB3  TYR  49           HB1      TYR  49  19.299  -3.289  -3.956
  360    HD1  TYR  49           HD1      TYR  49  21.235  -2.807  -5.219
  361    HD2  TYR  49           HD2      TYR  49  19.643   0.220  -2.665
  362    HE1  TYR  49           HE1      TYR  49  23.005  -1.271  -5.933
  363    HE2  TYR  49           HE2      TYR  49  21.419   1.755  -3.385
  364    HH   TYR  49           HH       TYR  49  23.461   1.085  -6.057
  365    H    GLU  50           HN       GLU  50  15.548  -2.127  -4.871
  366    HA   GLU  50           HA       GLU  50  16.720  -1.581  -7.506
  367    HB2  GLU  50           HB2      GLU  50  14.825  -3.823  -6.779
  368    HB3  GLU  50           HB1      GLU  50  15.262  -3.386  -8.430
  369    HG2  GLU  50           HG2      GLU  50  17.572  -3.947  -8.007
  370    HG3  GLU  50           HG1      GLU  50  17.209  -4.278  -6.310
  371    H    ASP  51           HN       ASP  51  15.402  -0.649  -9.016
  372    HA   ASP  51           HA       ASP  51  13.352   1.038  -7.905
  373    HB2  ASP  51           HB2      ASP  51  14.973   1.961  -9.475
  374    HB3  ASP  51           HB1      ASP  51  14.459   0.814 -10.713
  375    H    LYS  52           HN       LYS  52  11.387   0.236  -7.631
  376    HA   LYS  52           HA       LYS  52  10.170  -1.263  -9.835
  377    HB2  LYS  52           HB2      LYS  52  10.024  -1.712  -6.894
  378    HB3  LYS  52           HB1      LYS  52   8.586  -2.029  -7.849
  379    HG2  LYS  52           HG2      LYS  52   9.759  -4.071  -7.574
  380    HG3  LYS  52           HG1      LYS  52   9.939  -3.570  -9.251
  381    HD2  LYS  52           HD2      LYS  52  12.175  -2.760  -8.810
  382    HD3  LYS  52           HD1      LYS  52  11.995  -3.124  -7.092
  383    HE2  LYS  52           HE2      LYS  52  13.302  -4.842  -8.258
  384    HE3  LYS  52           HE1      LYS  52  11.809  -5.495  -7.588
  385    HZ1  LYS  52           HZ1      LYS  52  12.163  -4.681 -10.421
  386    HZ2  LYS  52           HZ2      LYS  52  10.813  -5.446  -9.752
  387    HZ3  LYS  52           HZ3      LYS  52  12.283  -6.271  -9.860
  388    H    ASN  53           HN       ASN  53   8.233  -0.612 -10.501
  389    HA   ASN  53           HA       ASN  53   7.442   2.064  -9.729
  390    HB2  ASN  53           HB2      ASN  53   7.692   1.707 -12.059
  391    HB3  ASN  53           HB1      ASN  53   6.768   0.209 -12.003
  392   HD21  ASN  53          HD21      ASN  53   5.231   0.607 -13.343
  393   HD22  ASN  53          HD22      ASN  53   4.049   1.871 -13.200
  394    H    TRP  54           HN       TRP  54   6.118   2.226  -8.093
  395    HA   TRP  54           HA       TRP  54   4.054   0.197  -7.649
  396    HB2  TRP  54           HB2      TRP  54   5.901   1.553  -6.002
  397    HB3  TRP  54           HB1      TRP  54   4.276   2.094  -5.550
  398    HD1  TRP  54           HD1      TRP  54   6.552  -0.915  -5.372
  399    HE1  TRP  54           HE1      TRP  54   5.332  -2.766  -4.031
  400    HE3  TRP  54           HE3      TRP  54   2.011   1.248  -5.129
  401    HZ2  TRP  54           HZ2      TRP  54   2.688  -3.197  -3.027
  402    HZ3  TRP  54           HZ3      TRP  54   0.186   0.117  -4.014
  403    HH2  TRP  54           HH2      TRP  54   0.521  -2.067  -2.950
  404    H    GLY  55           HN       GLY  55   1.881   0.971  -6.779
  405    HA2  GLY  55           HA2      GLY  55   1.278   3.738  -7.433
  406    HA3  GLY  55           HA1      GLY  55   0.531   2.522  -8.432
  407    H    ILE  56           HN       ILE  56  -0.285   4.619  -6.290
  408    HA   ILE  56           HA       ILE  56  -2.354   2.843  -5.132
  409    HB   ILE  56           HB       ILE  56  -1.475   5.606  -4.283
  410   HG12  ILE  56          HG12      ILE  56  -1.279   4.423  -2.068
  411   HG13  ILE  56          HG11      ILE  56  -1.503   2.905  -2.945
  412   HG21  ILE  56          HG21      ILE  56  -3.920   5.488  -4.242
  413   HG22  ILE  56          HG22      ILE  56  -3.254   5.550  -2.610
  414   HG23  ILE  56          HG23      ILE  56  -3.835   4.020  -3.269
  415   HD11  ILE  56          HD11      ILE  56   0.738   4.877  -3.363
  416   HD12  ILE  56          HD12      ILE  56   0.529   3.346  -4.213
  417   HD13  ILE  56          HD13      ILE  56   0.846   3.357  -2.477
  418    H    PHE  57           HN       PHE  57  -4.389   2.988  -5.878
  419    HA   PHE  57           HA       PHE  57  -5.141   5.358  -7.469
  420    HB2  PHE  57           HB2      PHE  57  -6.173   2.644  -8.214
  421    HB3  PHE  57           HB1      PHE  57  -6.018   4.082  -9.211
  422    HD1  PHE  57           HD1      PHE  57  -3.901   4.650 -10.254
  423    HD2  PHE  57           HD2      PHE  57  -4.322   1.147  -7.880
  424    HE1  PHE  57           HE1      PHE  57  -1.788   3.778 -11.165
  425    HE2  PHE  57           HE2      PHE  57  -2.215   0.271  -8.785
  426    HZ   PHE  57           HZ       PHE  57  -0.948   1.586 -10.426
  427    H    VAL  58           HN       VAL  58  -6.665   6.321  -6.192
  428    HA   VAL  58           HA       VAL  58  -8.583   4.602  -4.800
  429    HB   VAL  58           HB       VAL  58  -9.294   6.513  -3.544
  430   HG11  VAL  58          HG11      VAL  58  -6.295   6.491  -3.807
  431   HG12  VAL  58          HG12      VAL  58  -7.277   5.495  -2.732
  432   HG13  VAL  58          HG13      VAL  58  -7.191   7.237  -2.483
  433   HG21  VAL  58          HG21      VAL  58  -8.384   8.764  -3.894
  434   HG22  VAL  58          HG22      VAL  58  -9.319   8.197  -5.278
  435   HG23  VAL  58          HG23      VAL  58  -7.558   8.191  -5.342
  436    H    ASN  59           HN       ASN  59 -10.501   4.178  -5.645
  437    HA   ASN  59           HA       ASN  59 -12.311   4.198  -7.030
  438    HB2  ASN  59           HB2      ASN  59 -11.998   7.202  -6.805
  439    HB3  ASN  59           HB1      ASN  59 -13.449   6.353  -7.324
  440   HD21  ASN  59          HD21      ASN  59 -13.060   8.199  -5.121
  441   HD22  ASN  59          HD22      ASN  59 -13.537   7.352  -3.694
  442    H    GLY  60           HN       GLY  60  -9.732   4.064  -8.323
  443    HA2  GLY  60           HA2      GLY  60  -9.093   3.882 -10.544
  444    HA3  GLY  60           HA1      GLY  60 -10.569   4.722 -11.006
  445    H    GLU  61           HN       GLU  61  -8.553   6.223  -8.626
  446    HA   GLU  61           HA       GLU  61  -7.299   7.899 -10.694
  447    HB2  GLU  61           HB2      GLU  61  -9.277   9.030  -9.623
  448    HB3  GLU  61           HB1      GLU  61  -8.413   8.957  -8.090
  449    HG2  GLU  61           HG2      GLU  61  -6.625  10.327  -9.026
  450    HG3  GLU  61           HG1      GLU  61  -7.485  10.397 -10.567
  451    H    LYS  62           HN       LYS  62  -5.172   7.853 -10.522
  452    HA   LYS  62           HA       LYS  62  -3.855   6.609  -8.322
  453    HB2  LYS  62           HB2      LYS  62  -3.103   6.524 -10.713
  454    HB3  LYS  62           HB1      LYS  62  -2.638   8.215 -10.575
  455    HG2  LYS  62           HG2      LYS  62  -0.983   7.675  -8.912
  456    HG3  LYS  62           HG1      LYS  62  -1.513   5.990  -8.886
  457    HD2  LYS  62           HD2      LYS  62   0.338   5.880 -10.262
  458    HD3  LYS  62           HD1      LYS  62  -0.965   6.060 -11.431
  459    HE2  LYS  62           HE2      LYS  62   0.749   8.315 -10.393
  460    HE3  LYS  62           HE1      LYS  62   1.008   7.479 -11.918
  461    HZ1  LYS  62           HZ1      LYS  62  -1.251   8.219 -12.576
  462    HZ2  LYS  62           HZ2      LYS  62  -0.155   9.484 -12.350
  463    HZ3  LYS  62           HZ3      LYS  62  -1.318   9.160 -11.171
  464    H    VAL  63           HN       VAL  63  -3.264   7.532  -6.452
  465    HA   VAL  63           HA       VAL  63  -3.181  10.469  -6.358
  466    HB   VAL  63           HB       VAL  63  -3.721  10.422  -4.066
  467   HG11  VAL  63          HG11      VAL  63  -5.345   8.279  -5.404
  468   HG12  VAL  63          HG12      VAL  63  -5.606  10.018  -5.545
  469   HG13  VAL  63          HG13      VAL  63  -5.826   9.214  -3.990
  470   HG21  VAL  63          HG21      VAL  63  -3.298   7.442  -4.114
  471   HG22  VAL  63          HG22      VAL  63  -3.922   8.361  -2.744
  472   HG23  VAL  63          HG23      VAL  63  -2.276   8.636  -3.314
  473    H    TYR  64           HN       TYR  64  -1.324   7.581  -5.620
  474    HA   TYR  64           HA       TYR  64   1.027   9.264  -5.279
  475    HB2  TYR  64           HB2      TYR  64   0.024   8.858  -3.006
  476    HB3  TYR  64           HB1      TYR  64   0.315   7.136  -3.249
  477    HD1  TYR  64           HD1      TYR  64   2.140  10.397  -3.304
  478    HD2  TYR  64           HD2      TYR  64   2.295   6.234  -2.458
  479    HE1  TYR  64           HE1      TYR  64   4.406  10.673  -2.393
  480    HE2  TYR  64           HE2      TYR  64   4.561   6.495  -1.540
  481    HH   TYR  64           HH       TYR  64   5.903   9.502  -0.790
  482    H    THR  65           HN       THR  65   2.902   8.305  -5.865
  483    HA   THR  65           HA       THR  65   2.864   5.481  -6.671
  484    HB   THR  65           HB       THR  65   3.853   7.833  -8.323
  485    HG1  THR  65           HG1      THR  65   1.854   5.868  -8.827
  486   HG21  THR  65          HG21      THR  65   4.089   4.888  -8.940
  487   HG22  THR  65          HG22      THR  65   5.422   5.958  -8.510
  488   HG23  THR  65          HG23      THR  65   4.539   6.213 -10.015
  489    H    PHE  66           HN       PHE  66   4.905   4.451  -6.251
  490    HA   PHE  66           HA       PHE  66   7.111   6.147  -5.427
  491    HB2  PHE  66           HB2      PHE  66   7.369   5.158  -3.225
  492    HB3  PHE  66           HB1      PHE  66   5.804   5.946  -3.372
  493    HD1  PHE  66           HD1      PHE  66   7.548   2.727  -3.101
  494    HD2  PHE  66           HD2      PHE  66   3.763   4.680  -3.225
  495    HE1  PHE  66           HE1      PHE  66   6.471   0.689  -2.244
  496    HE2  PHE  66           HE2      PHE  66   2.677   2.634  -2.369
  497    HZ   PHE  66           HZ       PHE  66   4.038   0.644  -1.874
  498    H    ASN  67           HN       ASN  67   8.930   4.640  -4.480
  499    HA   ASN  67           HA       ASN  67   9.184   2.330  -6.297
  500    HB2  ASN  67           HB2      ASN  67  11.377   4.242  -5.448
  501    HB3  ASN  67           HB1      ASN  67  11.571   2.851  -6.514
  502   HD21  ASN  67          HD21      ASN  67  12.139   5.658  -6.989
  503   HD22  ASN  67          HD22      ASN  67  11.211   6.110  -8.375
  504    H    GLU  68           HN       GLU  68  10.073   0.494  -5.455
  505    HA   GLU  68           HA       GLU  68   9.737   0.096  -2.688
  506    HB2  GLU  68           HB2      GLU  68  10.741  -1.587  -4.925
  507    HB3  GLU  68           HB1      GLU  68  10.947  -2.152  -3.282
  508    HG2  GLU  68           HG2      GLU  68   8.567  -2.093  -2.911
  509    HG3  GLU  68           HG1      GLU  68   8.307  -1.403  -4.510
  510    H    LYS  69           HN       LYS  69  12.447   1.283  -4.297
  511    HA   LYS  69           HA       LYS  69  14.383   0.084  -2.524
  512    HB2  LYS  69           HB2      LYS  69  15.869   1.857  -3.775
  513    HB3  LYS  69           HB1      LYS  69  15.355   0.375  -4.567
  514    HG2  LYS  69           HG2      LYS  69  13.602   1.514  -5.714
  515    HG3  LYS  69           HG1      LYS  69  13.901   2.998  -4.809
  516    HD2  LYS  69           HD2      LYS  69  15.806   1.660  -6.746
  517    HD3  LYS  69           HD1      LYS  69  14.845   3.100  -7.084
  518    HE2  LYS  69           HE2      LYS  69  16.043   4.294  -5.295
  519    HE3  LYS  69           HE1      LYS  69  17.010   2.854  -4.996
  520    HZ1  LYS  69           HZ1      LYS  69  18.196   4.429  -6.372
  521    HZ2  LYS  69           HZ2      LYS  69  16.962   4.399  -7.527
  522    HZ3  LYS  69           HZ3      LYS  69  17.884   3.012  -7.240
  523    H    SER  70           HN       SER  70  12.236   2.535  -2.115
  524    HA   SER  70           HA       SER  70  13.964   4.279  -0.560
  525    HB2  SER  70           HB2      SER  70  10.947   4.319  -0.819
  526    HB3  SER  70           HB1      SER  70  11.981   5.630  -0.247
  527    HG   SER  70           HG       SER  70  11.166   5.369  -2.644
  528    H    THR  71           HN       THR  71  12.695   4.903   1.707
  529    HA   THR  71           HA       THR  71  12.806   2.460   3.235
  530    HB   THR  71           HB       THR  71  12.364   4.068   5.171
  531    HG1  THR  71           HG1      THR  71  13.089   6.074   3.293
  532   HG21  THR  71          HG21      THR  71  14.594   3.227   4.653
  533   HG22  THR  71          HG22      THR  71  14.668   4.907   5.180
  534   HG23  THR  71          HG23      THR  71  14.813   4.513   3.467
  535    H    VAL  72           HN       VAL  72  11.069   1.283   3.561
  536    HA   VAL  72           HA       VAL  72   8.658   1.932   2.324
  537    HB   VAL  72           HB       VAL  72   8.810  -0.168   4.468
  538   HG11  VAL  72          HG11      VAL  72   7.477  -0.116   1.769
  539   HG12  VAL  72          HG12      VAL  72   6.689   0.234   3.310
  540   HG13  VAL  72          HG13      VAL  72   7.334  -1.378   2.995
  541   HG21  VAL  72          HG21      VAL  72  10.858  -0.505   3.282
  542   HG22  VAL  72          HG22      VAL  72  10.056  -0.305   1.725
  543   HG23  VAL  72          HG23      VAL  72   9.708  -1.717   2.722
  544    H    GLY  73           HN       GLY  73   9.815   2.869   5.358
  545    HA2  GLY  73           HA2      GLY  73   7.184   3.005   6.610
  546    HA3  GLY  73           HA1      GLY  73   8.710   3.538   7.321
  547    H    ASN  74           HN       ASN  74   9.612   5.274   5.343
  548    HA   ASN  74           HA       ASN  74   7.954   7.548   5.810
  549    HB2  ASN  74           HB2      ASN  74  10.319   7.137   3.972
  550    HB3  ASN  74           HB1      ASN  74   9.480   8.675   4.134
  551   HD21  ASN  74          HD21      ASN  74  11.739   6.501   5.509
  552   HD22  ASN  74          HD22      ASN  74  12.169   7.474   6.884
  553    H    ILE  75           HN       ILE  75   8.273   5.169   3.311
  554    HA   ILE  75           HA       ILE  75   6.723   6.500   1.340
  555    HB   ILE  75           HB       ILE  75   7.258   3.563   1.768
  556   HG12  ILE  75          HG12      ILE  75   9.268   4.865   1.263
  557   HG13  ILE  75          HG11      ILE  75   8.840   3.830  -0.099
  558   HG21  ILE  75          HG21      ILE  75   6.010   4.955  -0.589
  559   HG22  ILE  75          HG22      ILE  75   5.208   3.844   0.523
  560   HG23  ILE  75          HG23      ILE  75   6.490   3.260  -0.538
  561   HD11  ILE  75          HD11      ILE  75   7.809   5.777  -1.202
  562   HD12  ILE  75          HD12      ILE  75   9.533   5.980  -0.898
  563   HD13  ILE  75          HD13      ILE  75   8.355   6.787   0.134
  564    H    SER  76           HN       SER  76   5.876   3.718   3.414
  565    HA   SER  76           HA       SER  76   3.230   3.631   2.569
  566    HB2  SER  76           HB2      SER  76   4.284   2.618   5.202
  567    HB3  SER  76           HB1      SER  76   2.826   2.072   4.370
  568    HG   SER  76           HG       SER  76   5.526   1.615   3.739
  569    H    ASN  77           HN       ASN  77   4.615   5.136   5.428
  570    HA   ASN  77           HA       ASN  77   1.990   5.815   6.329
  571    HB2  ASN  77           HB2      ASN  77   4.679   6.250   7.500
  572    HB3  ASN  77           HB1      ASN  77   3.318   7.209   8.095
  573   HD21  ASN  77          HD21      ASN  77   1.345   5.969   8.701
  574   HD22  ASN  77          HD22      ASN  77   1.538   4.392   9.406
  575    H    ASP  78           HN       ASP  78   4.187   7.476   4.237
  576    HA   ASP  78           HA       ASP  78   3.044  10.053   4.464
  577    HB2  ASP  78           HB2      ASP  78   4.226   8.538   2.172
  578    HB3  ASP  78           HB1      ASP  78   3.298   9.994   1.832
  579    H    ILE  79           HN       ILE  79   2.116   7.201   2.662
  580    HA   ILE  79           HA       ILE  79  -0.282   8.025   1.513
  581    HB   ILE  79           HB       ILE  79   0.450   5.307   2.627
  582   HG12  ILE  79          HG12      ILE  79   0.699   6.287  -0.220
  583   HG13  ILE  79          HG11      ILE  79   2.035   6.278   0.933
  584   HG21  ILE  79          HG21      ILE  79  -1.183   4.415   1.025
  585   HG22  ILE  79          HG22      ILE  79  -1.666   6.064   0.621
  586   HG23  ILE  79          HG23      ILE  79  -1.925   5.442   2.253
  587   HD11  ILE  79          HD11      ILE  79   1.760   3.833   1.159
  588   HD12  ILE  79          HD12      ILE  79   2.182   4.344  -0.473
  589   HD13  ILE  79          HD13      ILE  79   0.520   3.889  -0.094
  590    H    ASN  80           HN       ASN  80   0.539   7.154   4.762
  591    HA   ASN  80           HA       ASN  80  -2.227   6.777   5.485
  592    HB2  ASN  80           HB2      ASN  80   0.211   6.559   7.259
  593    HB3  ASN  80           HB1      ASN  80  -1.403   5.935   7.597
  594   HD21  ASN  80          HD21      ASN  80   1.223   4.589   7.369
  595   HD22  ASN  80          HD22      ASN  80   1.024   3.373   6.152
  596    H    LYS  81           HN       LYS  81   0.335   9.119   5.959
  597    HA   LYS  81           HA       LYS  81  -0.870  10.786   7.838
  598    HB2  LYS  81           HB2      LYS  81   0.627  11.604   5.336
  599    HB3  LYS  81           HB1      LYS  81   0.268  12.666   6.688
  600    HG2  LYS  81           HG2      LYS  81   1.974  10.195   6.886
  601    HG3  LYS  81           HG1      LYS  81   2.603  11.815   6.608
  602    HD2  LYS  81           HD2      LYS  81   2.832  11.716   8.875
  603    HD3  LYS  81           HD1      LYS  81   1.183  12.338   8.788
  604    HE2  LYS  81           HE2      LYS  81   0.292  10.114   9.116
  605    HE3  LYS  81           HE1      LYS  81   1.911   9.424   9.058
  606    HZ1  LYS  81           HZ1      LYS  81   2.463  10.614  11.069
  607    HZ2  LYS  81           HZ2      LYS  81   1.099   9.656  11.326
  608    HZ3  LYS  81           HZ3      LYS  81   0.930  11.325  11.118
  609    H    LEU  82           HN       LEU  82  -1.489  10.274   4.459
  610    HA   LEU  82           HA       LEU  82  -3.219  12.364   3.874
  611    HB2  LEU  82           HB2      LEU  82  -3.629   9.568   2.845
  612    HB3  LEU  82           HB1      LEU  82  -3.922  11.089   2.016
  613    HG   LEU  82           HG       LEU  82  -1.216   9.861   2.643
  614   HD11  LEU  82          HD11      LEU  82  -1.038   9.715   0.202
  615   HD12  LEU  82          HD12      LEU  82  -2.671  10.357   0.034
  616   HD13  LEU  82          HD13      LEU  82  -2.416   8.792   0.804
  617   HD21  LEU  82          HD21      LEU  82  -1.905  12.464   1.245
  618   HD22  LEU  82          HD22      LEU  82  -0.296  11.753   1.370
  619   HD23  LEU  82          HD23      LEU  82  -1.132  12.306   2.822
  620    H    ASN  83           HN       ASN  83  -3.722   9.504   5.789
  621    HA   ASN  83           HA       ASN  83  -5.616   8.269   6.295
  622    HB2  ASN  83           HB2      ASN  83  -5.720  10.930   7.495
  623    HB3  ASN  83           HB1      ASN  83  -7.294  10.140   7.411
  624   HD21  ASN  83          HD21      ASN  83  -4.285   8.355   7.647
  625   HD22  ASN  83          HD22      ASN  83  -4.540   7.749   9.253
  626    H    ILE  84           HN       ILE  84  -6.240   7.672   4.263
  627    HA   ILE  84           HA       ILE  84  -7.565   9.386   2.460
  628    HB   ILE  84           HB       ILE  84  -7.377   6.382   2.364
  629   HG12  ILE  84          HG12      ILE  84  -5.496   8.543   1.396
  630   HG13  ILE  84          HG11      ILE  84  -5.182   7.352   2.667
  631   HG21  ILE  84          HG21      ILE  84  -7.746   8.420   0.164
  632   HG22  ILE  84          HG22      ILE  84  -8.994   7.341   0.787
  633   HG23  ILE  84          HG23      ILE  84  -7.593   6.677  -0.054
  634   HD11  ILE  84          HD11      ILE  84  -4.051   6.786   0.571
  635   HD12  ILE  84          HD12      ILE  84  -5.613   6.722  -0.250
  636   HD13  ILE  84          HD13      ILE  84  -5.238   5.564   1.025
  637    H    LYS  85           HN       LYS  85  -9.568   9.768   2.092
  638    HA   LYS  85           HA       LYS  85 -11.684   8.521   3.639
  639    HB2  LYS  85           HB2      LYS  85 -13.095  10.264   2.602
  640    HB3  LYS  85           HB1      LYS  85 -11.645  10.953   3.331
  641    HG2  LYS  85           HG2      LYS  85 -10.749  10.519   0.799
  642    HG3  LYS  85           HG1      LYS  85 -12.460  10.860   0.509
  643    HD2  LYS  85           HD2      LYS  85 -11.245  12.918   0.382
  644    HD3  LYS  85           HD1      LYS  85 -12.213  12.937   1.856
  645    HE2  LYS  85           HE2      LYS  85 -10.276  12.377   3.184
  646    HE3  LYS  85           HE1      LYS  85  -9.284  12.199   1.736
  647    HZ1  LYS  85           HZ1      LYS  85  -9.640  14.558   1.278
  648    HZ2  LYS  85           HZ2      LYS  85  -8.910  14.330   2.784
  649    HZ3  LYS  85           HZ3      LYS  85 -10.556  14.709   2.692
  650    H    GLY  86           HN       GLY  86 -10.467   6.706   2.005
  651    HA2  GLY  86           HA2      GLY  86 -11.800   6.635  -0.576
  652    HA3  GLY  86           HA1      GLY  86 -10.505   5.583  -0.039
  653    HA   PRO  87           HA       PRO  87 -14.730   3.559   0.921
  654    HB2  PRO  87           HB2      PRO  87 -16.149   3.304  -1.324
  655    HB3  PRO  87           HB1      PRO  87 -16.264   4.786  -0.354
  656    HG2  PRO  87           HG2      PRO  87 -14.600   4.245  -2.800
  657    HG3  PRO  87           HG1      PRO  87 -15.669   5.633  -2.475
  658    HD2  PRO  87           HD2      PRO  87 -12.986   5.738  -2.097
  659    HD3  PRO  87           HD1      PRO  87 -14.123   6.638  -1.069
  660    H    TYR  88           HN       TYR  88 -13.091   3.405  -2.214
  661    HA   TYR  88           HA       TYR  88 -12.101   0.812  -1.540
  662    HB2  TYR  88           HB2      TYR  88 -12.780  -0.301  -3.596
  663    HB3  TYR  88           HB1      TYR  88 -14.195   0.232  -2.696
  664    HD1  TYR  88           HD1      TYR  88 -15.457   2.260  -3.508
  665    HD2  TYR  88           HD2      TYR  88 -12.387   0.417  -5.805
  666    HE1  TYR  88           HE1      TYR  88 -16.314   3.359  -5.532
  667    HE2  TYR  88           HE2      TYR  88 -13.234   1.514  -7.831
  668    HH   TYR  88           HH       TYR  88 -15.231   2.500  -8.685
  669    H    ILE  89           HN       ILE  89 -10.004   1.021  -1.820
  670    HA   ILE  89           HA       ILE  89  -9.071   2.664  -4.079
  671    HB   ILE  89           HB       ILE  89  -7.291   3.552  -2.783
  672   HG12  ILE  89          HG12      ILE  89  -8.184   1.762  -0.510
  673   HG13  ILE  89          HG11      ILE  89  -6.731   1.532  -1.486
  674   HG21  ILE  89          HG21      ILE  89  -8.478   4.746  -0.995
  675   HG22  ILE  89          HG22      ILE  89  -9.810   3.598  -1.123
  676   HG23  ILE  89          HG23      ILE  89  -9.434   4.664  -2.475
  677   HD11  ILE  89          HD11      ILE  89  -7.299   3.889   0.299
  678   HD12  ILE  89          HD12      ILE  89  -5.835   3.635  -0.655
  679   HD13  ILE  89          HD13      ILE  89  -6.225   2.539   0.671
  680    H    GLU  90           HN       GLU  90  -7.067   2.021  -5.001
  681    HA   GLU  90           HA       GLU  90  -6.523  -0.835  -4.622
  682    HB2  GLU  90           HB2      GLU  90  -6.081   1.000  -6.960
  683    HB3  GLU  90           HB1      GLU  90  -5.443  -0.637  -6.890
  684    HG2  GLU  90           HG2      GLU  90  -7.790  -1.449  -6.586
  685    HG3  GLU  90           HG1      GLU  90  -8.332   0.197  -6.905
  686    H    ILE  91           HN       ILE  91  -4.661  -1.474  -3.845
  687    HA   ILE  91           HA       ILE  91  -2.356   0.331  -4.043
  688    HB   ILE  91           HB       ILE  91  -3.244  -1.274  -1.647
  689   HG12  ILE  91          HG12      ILE  91  -2.857   1.623  -2.293
  690   HG13  ILE  91          HG11      ILE  91  -4.209   0.827  -1.492
  691   HG21  ILE  91          HG21      ILE  91  -0.955  -1.788  -1.747
  692   HG22  ILE  91          HG22      ILE  91  -1.097  -0.475  -0.582
  693   HG23  ILE  91          HG23      ILE  91  -0.522  -0.145  -2.213
  694   HD11  ILE  91          HD11      ILE  91  -2.781   0.512   0.501
  695   HD12  ILE  91          HD12      ILE  91  -3.035   2.205   0.079
  696   HD13  ILE  91          HD13      ILE  91  -1.502   1.421  -0.312
  697    H    LYS  92           HN       LYS  92  -1.241  -0.580  -5.638
  698    HA   LYS  92           HA       LYS  92   0.043  -3.101  -5.322
  699    HB2  LYS  92           HB2      LYS  92  -0.898  -4.292  -7.219
  700    HB3  LYS  92           HB1      LYS  92  -2.197  -3.902  -6.101
  701    HG2  LYS  92           HG2      LYS  92  -1.609  -2.113  -8.429
  702    HG3  LYS  92           HG1      LYS  92  -2.564  -3.583  -8.643
  703    HD2  LYS  92           HD2      LYS  92  -3.209  -1.453  -6.609
  704    HD3  LYS  92           HD1      LYS  92  -3.890  -1.485  -8.236
  705    HE2  LYS  92           HE2      LYS  92  -4.116  -3.801  -6.321
  706    HE3  LYS  92           HE1      LYS  92  -5.309  -2.504  -6.397
  707    HZ1  LYS  92           HZ1      LYS  92  -4.540  -4.173  -8.726
  708    HZ2  LYS  92           HZ2      LYS  92  -5.822  -3.065  -8.637
  709    HZ3  LYS  92           HZ3      LYS  92  -5.869  -4.496  -7.730
  710    H    GLN  93           HN       GLN  93   1.390  -3.545  -7.390
  711    HA   GLN  93           HA       GLN  93   2.368  -0.923  -8.206
  712    HB2  GLN  93           HB2      GLN  93   3.978  -3.016  -9.279
  713    HB3  GLN  93           HB1      GLN  93   4.389  -1.795  -8.079
  714    HG2  GLN  93           HG2      GLN  93   3.335  -3.276  -6.352
  715    HG3  GLN  93           HG1      GLN  93   3.219  -4.522  -7.597
  716   HE21  GLN  93          HE21      GLN  93   5.898  -2.298  -7.455
  717   HE22  GLN  93          HE22      GLN  93   7.078  -3.439  -6.893
  718    H    ILE  94           HN       ILE  94   3.483  -1.079 -10.515
  719    HA   ILE  94           HA       ILE  94   1.410  -1.889 -12.405
  720    HB   ILE  94           HB       ILE  94   1.823   0.575 -13.331
  721   HG12  ILE  94          HG12      ILE  94   2.093   0.801 -10.321
  722   HG13  ILE  94          HG11      ILE  94   3.340   1.189 -11.502
  723   HG21  ILE  94          HG21      ILE  94  -0.289   1.209 -12.264
  724   HG22  ILE  94          HG22      ILE  94  -0.138  -0.164 -11.166
  725   HG23  ILE  94          HG23      ILE  94  -0.340  -0.436 -12.897
  726   HD11  ILE  94          HD11      ILE  94   2.290   3.179 -10.616
  727   HD12  ILE  94          HD12      ILE  94   0.716   2.613 -11.173
  728   HD13  ILE  94          HD13      ILE  94   1.972   3.014 -12.344
  Start of MODEL   12
    1    H    ASP   1           HT1      ASP   1 -14.553  -6.337 -13.602
    2    HA   ASP   1           HA       ASP   1 -14.134  -7.559 -11.584
    3    HB2  ASP   1           HB2      ASP   1 -12.733  -5.644 -11.995
    4    HB3  ASP   1           HB1      ASP   1 -13.952  -4.553 -11.348
    5    H    ASN   2           HN       ASN   2 -16.174  -4.735 -10.864
    6    HA   ASN   2           HA       ASN   2 -17.983  -4.449  -9.559
    7    HB2  ASN   2           HB2      ASN   2 -17.859  -7.447  -9.312
    8    HB3  ASN   2           HB1      ASN   2 -19.065  -6.485  -8.463
    9   HD21  ASN   2          HD21      ASN   2 -17.911  -7.541 -11.567
   10   HD22  ASN   2          HD22      ASN   2 -19.334  -7.128 -12.458
   11    H    GLN   3           HN       GLN   3 -15.556  -6.580  -8.097
   12    HA   GLN   3           HA       GLN   3 -16.004  -6.058  -5.418
   13    HB2  GLN   3           HB2      GLN   3 -13.491  -6.596  -6.975
   14    HB3  GLN   3           HB1      GLN   3 -13.437  -6.325  -5.239
   15    HG2  GLN   3           HG2      GLN   3 -14.705  -8.233  -4.785
   16    HG3  GLN   3           HG1      GLN   3 -15.223  -8.396  -6.466
   17   HE21  GLN   3          HE21      GLN   3 -12.711  -8.986  -4.163
   18   HE22  GLN   3          HE22      GLN   3 -11.720  -9.969  -5.185
   19    H    LYS   4           HN       LYS   4 -14.484  -4.118  -7.848
   20    HA   LYS   4           HA       LYS   4 -13.309  -2.000  -6.786
   21    HB2  LYS   4           HB2      LYS   4 -14.124  -2.325  -9.156
   22    HB3  LYS   4           HB1      LYS   4 -15.679  -1.714  -8.627
   23    HG2  LYS   4           HG2      LYS   4 -14.627   0.410  -7.991
   24    HG3  LYS   4           HG1      LYS   4 -13.082  -0.196  -8.594
   25    HD2  LYS   4           HD2      LYS   4 -14.004  -0.417 -10.819
   26    HD3  LYS   4           HD1      LYS   4 -15.593   0.074 -10.240
   27    HE2  LYS   4           HE2      LYS   4 -14.651   2.268  -9.619
   28    HE3  LYS   4           HE1      LYS   4 -13.097   1.765 -10.284
   29    HZ1  LYS   4           HZ1      LYS   4 -14.141   1.520 -12.447
   30    HZ2  LYS   4           HZ2      LYS   4 -14.354   3.094 -11.868
   31    HZ3  LYS   4           HZ3      LYS   4 -15.635   1.987 -11.810
   32    H    ALA   5           HN       ALA   5 -16.870  -2.277  -6.827
   33    HA   ALA   5           HA       ALA   5 -17.068   0.074  -5.122
   34    HB1  ALA   5           HB1      ALA   5 -19.438   0.017  -5.606
   35    HB2  ALA   5           HB2      ALA   5 -19.261  -1.545  -6.403
   36    HB3  ALA   5           HB3      ALA   5 -18.512  -0.110  -7.102
   37    H    LEU   6           HN       LEU   6 -17.094  -3.309  -4.818
   38    HA   LEU   6           HA       LEU   6 -18.770  -3.277  -2.437
   39    HB2  LEU   6           HB2      LEU   6 -17.639  -5.462  -4.138
   40    HB3  LEU   6           HB1      LEU   6 -18.172  -5.818  -2.505
   41    HG   LEU   6           HG       LEU   6 -19.935  -6.384  -4.020
   42   HD11  LEU   6          HD11      LEU   6 -20.645  -3.779  -2.687
   43   HD12  LEU   6          HD12      LEU   6 -20.569  -5.345  -1.882
   44   HD13  LEU   6          HD13      LEU   6 -21.755  -5.067  -3.157
   45   HD21  LEU   6          HD21      LEU   6 -19.758  -3.559  -5.053
   46   HD22  LEU   6          HD22      LEU   6 -20.985  -4.744  -5.501
   47   HD23  LEU   6          HD23      LEU   6 -19.295  -5.022  -5.923
   48    H    GLU   7           HN       GLU   7 -15.805  -5.139  -3.000
   49    HA   GLU   7           HA       GLU   7 -15.099  -4.543  -0.225
   50    HB2  GLU   7           HB2      GLU   7 -13.570  -6.625  -0.608
   51    HB3  GLU   7           HB1      GLU   7 -15.290  -6.828  -0.306
   52    HG2  GLU   7           HG2      GLU   7 -15.710  -7.152  -2.654
   53    HG3  GLU   7           HG1      GLU   7 -14.024  -6.818  -3.039
   54    H    GLU   8           HN       GLU   8 -12.820  -5.856  -2.507
   55    HA   GLU   8           HA       GLU   8 -10.718  -5.291  -3.090
   56    HB2  GLU   8           HB2      GLU   8 -11.750  -2.477  -2.769
   57    HB3  GLU   8           HB1      GLU   8 -10.151  -2.870  -3.388
   58    HG2  GLU   8           HG2      GLU   8 -12.792  -3.642  -4.605
   59    HG3  GLU   8           HG1      GLU   8 -11.653  -2.444  -5.216
   60    H    GLN   9           HN       GLN   9 -11.927  -3.717  -0.218
   61    HA   GLN   9           HA       GLN   9  -9.483  -3.247   1.108
   62    HB2  GLN   9           HB2      GLN   9 -12.163  -3.919   2.330
   63    HB3  GLN   9           HB1      GLN   9 -10.844  -3.054   3.105
   64    HG2  GLN   9           HG2      GLN   9 -11.357  -1.110   2.115
   65    HG3  GLN   9           HG1      GLN   9 -11.830  -1.882   0.599
   66   HE21  GLN   9          HE21      GLN   9 -13.926  -2.623   0.333
   67   HE22  GLN   9          HE22      GLN   9 -15.214  -2.131   1.389
   68    H    MET  10           HN       MET  10 -10.738  -6.137   0.139
   69    HA   MET  10           HA       MET  10  -9.774  -7.598   2.491
   70    HB2  MET  10           HB2      MET  10 -11.772  -8.437   0.380
   71    HB3  MET  10           HB1      MET  10 -11.198  -9.472   1.678
   72    HG2  MET  10           HG2      MET  10 -12.734  -6.907   2.002
   73    HG3  MET  10           HG1      MET  10 -13.368  -8.539   2.203
   74    HE1  MET  10           HE1      MET  10 -12.616 -10.193   4.125
   75    HE2  MET  10           HE2      MET  10 -11.431  -9.789   5.366
   76    HE3  MET  10           HE3      MET  10 -10.919  -9.989   3.691
   77    H    ASN  11           HN       ASN  11 -10.052 -10.009   0.576
   78    HA   ASN  11           HA       ASN  11  -7.465 -10.720   0.379
   79    HB2  ASN  11           HB2      ASN  11  -9.743 -11.435  -1.452
   80    HB3  ASN  11           HB1      ASN  11  -8.168 -12.216  -1.540
   81   HD21  ASN  11          HD21      ASN  11  -8.984 -14.216  -0.981
   82   HD22  ASN  11          HD22      ASN  11  -9.523 -14.584   0.620
   83    H    SER  12           HN       SER  12  -9.103  -8.654  -1.974
   84    HA   SER  12           HA       SER  12  -7.296  -8.753  -4.073
   85    HB2  SER  12           HB2      SER  12  -8.722  -6.277  -3.067
   86    HB3  SER  12           HB1      SER  12  -8.108  -6.547  -4.701
   87    HG   SER  12           HG       SER  12 -10.318  -6.967  -4.664
   88    H    ILE  13           HN       ILE  13  -7.247  -6.593  -1.241
   89    HA   ILE  13           HA       ILE  13  -4.646  -5.566  -2.011
   90    HB   ILE  13           HB       ILE  13  -6.354  -4.037  -1.102
   91   HG12  ILE  13          HG12      ILE  13  -3.938  -4.319   0.693
   92   HG13  ILE  13          HG11      ILE  13  -3.948  -3.527  -0.879
   93   HG21  ILE  13          HG21      ILE  13  -7.442  -5.537   0.470
   94   HG22  ILE  13          HG22      ILE  13  -6.891  -4.076   1.289
   95   HG23  ILE  13          HG23      ILE  13  -5.985  -5.579   1.464
   96   HD11  ILE  13          HD11      ILE  13  -4.051  -1.907   0.911
   97   HD12  ILE  13          HD12      ILE  13  -5.508  -2.675   1.544
   98   HD13  ILE  13          HD13      ILE  13  -5.538  -1.883  -0.033
   99    H    ASN  14           HN       ASN  14  -5.987  -7.899   0.191
  100    HA   ASN  14           HA       ASN  14  -3.724  -8.008   1.928
  101    HB2  ASN  14           HB2      ASN  14  -5.877 -10.039   1.430
  102    HB3  ASN  14           HB1      ASN  14  -4.691 -10.151   2.715
  103   HD21  ASN  14          HD21      ASN  14  -7.497 -10.102   3.072
  104   HD22  ASN  14          HD22      ASN  14  -7.885  -8.677   3.976
  105    H    SER  15           HN       SER  15  -4.581  -9.545  -1.090
  106    HA   SER  15           HA       SER  15  -2.501 -11.449  -1.164
  107    HB2  SER  15           HB2      SER  15  -4.426 -11.268  -2.802
  108    HB3  SER  15           HB1      SER  15  -3.603  -9.884  -3.519
  109    HG   SER  15           HG       SER  15  -2.550 -12.519  -3.298
  110    H    VAL  16           HN       VAL  16  -2.655  -8.006  -1.794
  111    HA   VAL  16           HA       VAL  16   0.022  -7.708  -2.691
  112    HB   VAL  16           HB       VAL  16  -1.782  -5.674  -1.361
  113   HG11  VAL  16          HG11      VAL  16  -0.321  -3.996  -2.394
  114   HG12  VAL  16          HG12      VAL  16   0.734  -5.281  -2.984
  115   HG13  VAL  16          HG13      VAL  16   0.560  -5.010  -1.250
  116   HG21  VAL  16          HG21      VAL  16  -2.254  -4.906  -3.628
  117   HG22  VAL  16          HG22      VAL  16  -2.736  -6.590  -3.416
  118   HG23  VAL  16          HG23      VAL  16  -1.249  -6.200  -4.280
  119    H    ASN  17           HN       ASN  17  -1.546  -7.762   0.484
  120    HA   ASN  17           HA       ASN  17   0.593  -6.825   2.037
  121    HB2  ASN  17           HB2      ASN  17  -1.611  -8.802   2.610
  122    HB3  ASN  17           HB1      ASN  17  -0.373  -8.454   3.812
  123   HD21  ASN  17          HD21      ASN  17  -3.250  -7.931   3.864
  124   HD22  ASN  17          HD22      ASN  17  -3.411  -6.224   4.112
  125    H    ASP  18           HN       ASP  18  -0.104 -10.070   0.807
  126    HA   ASP  18           HA       ASP  18   2.184 -11.262   2.057
  127    HB2  ASP  18           HB2      ASP  18   0.212 -12.229  -0.004
  128    HB3  ASP  18           HB1      ASP  18   1.602 -13.199   0.478
  129    H    LYS  19           HN       LYS  19   1.676  -9.491  -0.827
  130    HA   LYS  19           HA       LYS  19   3.924 -10.654  -2.244
  131    HB2  LYS  19           HB2      LYS  19   2.027  -8.396  -2.846
  132    HB3  LYS  19           HB1      LYS  19   3.452  -8.689  -3.832
  133    HG2  LYS  19           HG2      LYS  19   2.639 -10.919  -4.369
  134    HG3  LYS  19           HG1      LYS  19   1.220 -10.654  -3.349
  135    HD2  LYS  19           HD2      LYS  19   0.691 -10.302  -5.710
  136    HD3  LYS  19           HD1      LYS  19   0.524  -8.805  -4.790
  137    HE2  LYS  19           HE2      LYS  19   2.704  -8.060  -5.582
  138    HE3  LYS  19           HE1      LYS  19   2.914  -9.571  -6.467
  139    HZ1  LYS  19           HZ1      LYS  19   0.782  -7.565  -6.975
  140    HZ2  LYS  19           HZ2      LYS  19   1.027  -8.996  -7.844
  141    HZ3  LYS  19           HZ3      LYS  19   2.184  -7.763  -7.903
  142    H    LEU  20           HN       LEU  20   3.211  -7.983  -0.187
  143    HA   LEU  20           HA       LEU  20   5.742  -6.672  -0.745
  144    HB2  LEU  20           HB2      LEU  20   3.448  -5.977   1.075
  145    HB3  LEU  20           HB1      LEU  20   4.894  -4.995   0.905
  146    HG   LEU  20           HG       LEU  20   2.856  -5.591  -1.250
  147   HD11  LEU  20          HD11      LEU  20   2.221  -3.933   0.493
  148   HD12  LEU  20          HD12      LEU  20   2.322  -3.267  -1.134
  149   HD13  LEU  20          HD13      LEU  20   3.621  -2.970   0.020
  150   HD21  LEU  20          HD21      LEU  20   5.407  -3.979  -1.399
  151   HD22  LEU  20          HD22      LEU  20   4.186  -4.096  -2.664
  152   HD23  LEU  20          HD23      LEU  20   5.104  -5.523  -2.198
  153    H    ASN  21           HN       ASN  21   4.200  -8.572   1.775
  154    HA   ASN  21           HA       ASN  21   6.500  -8.360   3.514
  155    HB2  ASN  21           HB2      ASN  21   3.945  -9.959   3.608
  156    HB3  ASN  21           HB1      ASN  21   5.269 -10.303   4.720
  157   HD21  ASN  21          HD21      ASN  21   2.850  -7.958   3.765
  158   HD22  ASN  21          HD22      ASN  21   2.945  -6.999   5.207
  159    H    LYS  22           HN       LYS  22   8.017  -8.986   1.814
  160    HA   LYS  22           HA       LYS  22   7.932 -11.839   1.127
  161    HB2  LYS  22           HB2      LYS  22   9.802 -10.789  -0.568
  162    HB3  LYS  22           HB1      LYS  22   8.109 -11.053  -0.958
  163    HG2  LYS  22           HG2      LYS  22   8.654  -8.870  -1.671
  164    HG3  LYS  22           HG1      LYS  22   7.672  -8.694  -0.222
  165    HD2  LYS  22           HD2      LYS  22   9.696  -8.293   1.097
  166    HD3  LYS  22           HD1      LYS  22  10.682  -8.485  -0.351
  167    HE2  LYS  22           HE2      LYS  22   8.555  -6.391   0.035
  168    HE3  LYS  22           HE1      LYS  22  10.280  -6.100   0.238
  169    HZ1  LYS  22           HZ1      LYS  22   8.885  -6.911  -2.266
  170    HZ2  LYS  22           HZ2      LYS  22  10.558  -6.757  -2.111
  171    HZ3  LYS  22           HZ3      LYS  22   9.563  -5.392  -1.945
  172    H    GLY  23           HN       GLY  23  10.140  -9.338   2.327
  173    HA2  GLY  23           HA2      GLY  23  11.746 -11.273   3.682
  174    HA3  GLY  23           HA1      GLY  23  12.544 -10.682   2.227
  175    H    LYS  24           HN       LYS  24  12.898  -8.349   2.050
  176    HA   LYS  24           HA       LYS  24  12.920  -6.948   4.629
  177    HB2  LYS  24           HB2      LYS  24  14.966  -7.156   3.035
  178    HB3  LYS  24           HB1      LYS  24  14.105  -5.967   2.051
  179    HG2  LYS  24           HG2      LYS  24  13.999  -4.544   4.137
  180    HG3  LYS  24           HG1      LYS  24  15.193  -5.656   4.822
  181    HD2  LYS  24           HD2      LYS  24  15.499  -4.286   2.187
  182    HD3  LYS  24           HD1      LYS  24  16.135  -3.633   3.700
  183    HE2  LYS  24           HE2      LYS  24  16.864  -6.266   2.415
  184    HE3  LYS  24           HE1      LYS  24  17.876  -4.824   2.475
  185    HZ1  LYS  24           HZ1      LYS  24  18.530  -6.421   4.152
  186    HZ2  LYS  24           HZ2      LYS  24  16.977  -6.410   4.819
  187    HZ3  LYS  24           HZ3      LYS  24  17.934  -5.018   4.886
  188    H    GLY  25           HN       GLY  25  12.107  -4.660   4.497
  189    HA2  GLY  25           HA2      GLY  25  10.491  -3.126   3.919
  190    HA3  GLY  25           HA1      GLY  25  10.896  -3.560   2.293
  191    H    LYS  26           HN       LYS  26   8.783  -4.084   4.933
  192    HA   LYS  26           HA       LYS  26   6.980  -5.517   3.113
  193    HB2  LYS  26           HB2      LYS  26   6.340  -6.925   5.059
  194    HB3  LYS  26           HB1      LYS  26   8.015  -7.109   4.535
  195    HG2  LYS  26           HG2      LYS  26   8.464  -5.300   6.366
  196    HG3  LYS  26           HG1      LYS  26   6.933  -5.896   7.014
  197    HD2  LYS  26           HD2      LYS  26   8.841  -7.071   7.995
  198    HD3  LYS  26           HD1      LYS  26   7.820  -8.161   7.059
  199    HE2  LYS  26           HE2      LYS  26   9.357  -8.262   5.293
  200    HE3  LYS  26           HE1      LYS  26  10.258  -6.846   5.860
  201    HZ1  LYS  26           HZ1      LYS  26  11.402  -8.956   6.333
  202    HZ2  LYS  26           HZ2      LYS  26  10.088  -9.481   7.261
  203    HZ3  LYS  26           HZ3      LYS  26  11.000  -8.149   7.765
  204    H    LEU  27           HN       LEU  27   4.986  -4.804   3.013
  205    HA   LEU  27           HA       LEU  27   4.219  -2.670   4.880
  206    HB2  LEU  27           HB2      LEU  27   4.752  -1.986   2.528
  207    HB3  LEU  27           HB1      LEU  27   3.405  -2.975   1.984
  208    HG   LEU  27           HG       LEU  27   1.837  -1.565   3.174
  209   HD11  LEU  27          HD11      LEU  27   3.144  -0.942   5.092
  210   HD12  LEU  27          HD12      LEU  27   2.628   0.520   4.250
  211   HD13  LEU  27          HD13      LEU  27   4.282  -0.059   4.076
  212   HD21  LEU  27          HD21      LEU  27   3.795   0.020   1.514
  213   HD22  LEU  27          HD22      LEU  27   2.138   0.499   1.883
  214   HD23  LEU  27          HD23      LEU  27   2.446  -0.935   0.903
  215    H    SER  28           HN       SER  28   2.463  -3.009   6.035
  216    HA   SER  28           HA       SER  28   0.599  -5.130   5.202
  217    HB2  SER  28           HB2      SER  28   1.101  -3.933   7.944
  218    HB3  SER  28           HB1      SER  28  -0.049  -5.224   7.587
  219    HG   SER  28           HG       SER  28   1.576  -6.611   7.236
  220    H    LEU  29           HN       LEU  29  -1.053  -4.246   4.114
  221    HA   LEU  29           HA       LEU  29  -1.944  -1.539   4.690
  222    HB2  LEU  29           HB2      LEU  29  -2.841  -3.476   2.570
  223    HB3  LEU  29           HB1      LEU  29  -3.283  -1.782   2.677
  224    HG   LEU  29           HG       LEU  29  -1.686  -1.797   1.026
  225   HD11  LEU  29          HD11      LEU  29   0.302  -0.733   1.913
  226   HD12  LEU  29          HD12      LEU  29  -0.135  -1.281   3.531
  227   HD13  LEU  29          HD13      LEU  29  -1.165  -0.124   2.683
  228   HD21  LEU  29          HD21      LEU  29   0.385  -3.032   1.021
  229   HD22  LEU  29          HD22      LEU  29  -0.975  -4.125   1.275
  230   HD23  LEU  29          HD23      LEU  29   0.043  -3.651   2.635
  231    H    SER  30           HN       SER  30  -3.891  -0.926   5.401
  232    HA   SER  30           HA       SER  30  -6.046  -2.790   5.419
  233    HB2  SER  30           HB2      SER  30  -4.932  -3.393   7.519
  234    HB3  SER  30           HB1      SER  30  -4.999  -1.709   8.041
  235    HG   SER  30           HG       SER  30  -7.042  -3.614   7.851
  236    H    MET  31           HN       MET  31  -7.990  -1.747   5.211
  237    HA   MET  31           HA       MET  31  -7.941   1.180   5.262
  238    HB2  MET  31           HB2      MET  31 -10.027  -0.738   4.208
  239    HB3  MET  31           HB1      MET  31 -10.183   1.008   4.181
  240    HG2  MET  31           HG2      MET  31  -9.518   0.527   2.042
  241    HG3  MET  31           HG1      MET  31  -7.999   0.952   2.822
  242    HE1  MET  31           HE1      MET  31  -7.579  -2.008   0.070
  243    HE2  MET  31           HE2      MET  31  -7.221  -0.307   0.359
  244    HE3  MET  31           HE3      MET  31  -8.888  -0.828   0.117
  245    H    ASN  32           HN       ASN  32  -9.313   2.395   6.532
  246    HA   ASN  32           HA       ASN  32 -11.284   0.973   8.160
  247    HB2  ASN  32           HB2      ASN  32  -9.222   1.240   9.546
  248    HB3  ASN  32           HB1      ASN  32  -9.350   2.987   9.337
  249   HD21  ASN  32          HD21      ASN  32 -10.905   4.120  10.456
  250   HD22  ASN  32          HD22      ASN  32 -11.837   3.410  11.739
  251    H    GLY  33           HN       GLY  33 -12.831   1.867   6.815
  252    HA2  GLY  33           HA2      GLY  33 -14.381   3.396   6.128
  253    HA3  GLY  33           HA1      GLY  33 -14.012   4.257   7.613
  254    H    ASN  34           HN       ASN  34 -12.744   6.089   7.522
  255    HA   ASN  34           HA       ASN  34 -12.245   7.153   4.833
  256    HB2  ASN  34           HB2      ASN  34 -12.139   9.347   5.987
  257    HB3  ASN  34           HB1      ASN  34 -13.671   8.526   6.264
  258   HD21  ASN  34          HD21      ASN  34 -10.450   8.982   7.693
  259   HD22  ASN  34          HD22      ASN  34 -11.007   8.978   9.347
  260    H    GLN  35           HN       GLN  35 -10.456   5.249   6.158
  261    HA   GLN  35           HA       GLN  35  -8.072   6.898   6.441
  262    HB2  GLN  35           HB2      GLN  35  -8.883   6.593   8.711
  263    HB3  GLN  35           HB1      GLN  35  -9.003   4.852   8.462
  264    HG2  GLN  35           HG2      GLN  35  -6.545   4.802   8.089
  265    HG3  GLN  35           HG1      GLN  35  -6.494   6.509   8.526
  266   HE21  GLN  35          HE21      GLN  35  -8.638   6.118  10.542
  267   HE22  GLN  35          HE22      GLN  35  -7.850   5.372  11.895
  268    H    LEU  36           HN       LEU  36  -6.327   6.045   5.588
  269    HA   LEU  36           HA       LEU  36  -6.213   3.141   5.180
  270    HB2  LEU  36           HB2      LEU  36  -6.219   4.622   3.098
  271    HB3  LEU  36           HB1      LEU  36  -4.663   5.224   3.630
  272    HG   LEU  36           HG       LEU  36  -4.529   3.484   1.842
  273   HD11  LEU  36          HD11      LEU  36  -3.254   2.713   4.456
  274   HD12  LEU  36          HD12      LEU  36  -2.616   3.864   3.282
  275   HD13  LEU  36          HD13      LEU  36  -2.758   2.158   2.858
  276   HD21  LEU  36          HD21      LEU  36  -6.438   2.129   2.624
  277   HD22  LEU  36          HD22      LEU  36  -5.464   1.592   3.993
  278   HD23  LEU  36          HD23      LEU  36  -4.981   1.178   2.350
  279    H    LYS  37           HN       LYS  37  -4.761   2.200   6.470
  280    HA   LYS  37           HA       LYS  37  -2.481   3.817   7.439
  281    HB2  LYS  37           HB2      LYS  37  -2.727   2.731   9.666
  282    HB3  LYS  37           HB1      LYS  37  -4.068   3.792   9.266
  283    HG2  LYS  37           HG2      LYS  37  -5.132   1.997  10.229
  284    HG3  LYS  37           HG1      LYS  37  -5.244   1.602   8.516
  285    HD2  LYS  37           HD2      LYS  37  -3.488   0.019   8.674
  286    HD3  LYS  37           HD1      LYS  37  -3.034   0.581  10.282
  287    HE2  LYS  37           HE2      LYS  37  -5.699  -0.667   9.648
  288    HE3  LYS  37           HE1      LYS  37  -4.305  -1.590  10.208
  289    HZ1  LYS  37           HZ1      LYS  37  -5.745  -1.041  12.038
  290    HZ2  LYS  37           HZ2      LYS  37  -5.658   0.607  11.680
  291    HZ3  LYS  37           HZ3      LYS  37  -4.279  -0.218  12.214
  292    H    ALA  38           HN       ALA  38  -0.602   2.556   7.746
  293    HA   ALA  38           HA       ALA  38  -0.653  -0.257   7.053
  294    HB1  ALA  38           HB1      ALA  38   0.804  -0.031   5.129
  295    HB2  ALA  38           HB2      ALA  38   0.794   1.725   5.297
  296    HB3  ALA  38           HB3      ALA  38  -0.689   0.872   4.868
  297    H    THR  39           HN       THR  39   0.954  -1.309   8.033
  298    HA   THR  39           HA       THR  39   2.999   0.306   9.364
  299    HB   THR  39           HB       THR  39   3.438  -1.747  10.703
  300    HG1  THR  39           HG1      THR  39   2.650  -3.256   9.173
  301   HG21  THR  39          HG21      THR  39   1.942  -0.078  11.609
  302   HG22  THR  39          HG22      THR  39   1.310  -1.681  11.985
  303   HG23  THR  39          HG23      THR  39   0.595  -0.732  10.682
  304    H    SER  40           HN       SER  40   5.148  -0.130   9.152
  305    HA   SER  40           HA       SER  40   5.924  -1.900   6.929
  306    HB2  SER  40           HB2      SER  40   7.757  -0.248   6.473
  307    HB3  SER  40           HB1      SER  40   6.135   0.375   6.159
  308    HG   SER  40           HG       SER  40   6.568   0.979   8.635
  309    H    SER  41           HN       SER  41   7.133  -3.510   7.616
  310    HA   SER  41           HA       SER  41   8.631  -3.117  10.104
  311    HB2  SER  41           HB2      SER  41   7.801  -5.710   8.781
  312    HB3  SER  41           HB1      SER  41   8.608  -5.557  10.340
  313    HG   SER  41           HG       SER  41   5.974  -5.318   9.720
  314    H    ASN  42           HN       ASN  42  10.513  -4.960  10.053
  315    HA   ASN  42           HA       ASN  42  12.681  -5.212   9.489
  316    HB2  ASN  42           HB2      ASN  42  11.407  -5.435   7.016
  317    HB3  ASN  42           HB1      ASN  42  12.662  -4.227   6.751
  318   HD21  ASN  42          HD21      ASN  42  14.844  -4.804   7.105
  319   HD22  ASN  42          HD22      ASN  42  15.335  -6.469   7.094
  320    H    ALA  43           HN       ALA  43  11.695  -2.931  10.640
  321    HA   ALA  43           HA       ALA  43  12.338  -0.886  11.332
  322    HB1  ALA  43           HB1      ALA  43  14.547  -1.928  11.395
  323    HB2  ALA  43           HB2      ALA  43  14.633  -0.211  11.010
  324    HB3  ALA  43           HB3      ALA  43  14.831  -1.411   9.734
  325    H    GLY  44           HN       GLY  44  11.035  -1.320   8.611
  326    HA2  GLY  44           HA2      GLY  44   9.991   0.191   7.214
  327    HA3  GLY  44           HA1      GLY  44  10.877   1.480   8.015
  328    H    TYR  45           HN       TYR  45  12.782  -1.099   6.776
  329    HA   TYR  45           HA       TYR  45  14.004   0.657   4.870
  330    HB2  TYR  45           HB2      TYR  45  14.478  -2.211   5.636
  331    HB3  TYR  45           HB1      TYR  45  15.293  -1.489   4.251
  332    HD1  TYR  45           HD1      TYR  45  15.571  -2.077   7.730
  333    HD2  TYR  45           HD2      TYR  45  16.442   0.836   4.744
  334    HE1  TYR  45           HE1      TYR  45  17.264  -1.082   9.197
  335    HE2  TYR  45           HE2      TYR  45  18.141   1.832   6.212
  336    HH   TYR  45           HH       TYR  45  18.544   1.933   8.751
  337    H    GLY  46           HN       GLY  46  14.577  -0.657   2.651
  338    HA2  GLY  46           HA2      GLY  46  11.954  -0.698   1.363
  339    HA3  GLY  46           HA1      GLY  46  13.495  -0.446   0.571
  340    H    ILE  47           HN       ILE  47  12.818  -1.959  -0.999
  341    HA   ILE  47           HA       ILE  47  11.669  -4.429  -0.730
  342    HB   ILE  47           HB       ILE  47  13.906  -3.995  -2.667
  343   HG12  ILE  47          HG12      ILE  47  11.087  -2.970  -2.999
  344   HG13  ILE  47          HG11      ILE  47  12.482  -1.959  -2.617
  345   HG21  ILE  47          HG21      ILE  47  12.837  -6.190  -2.636
  346   HG22  ILE  47          HG22      ILE  47  12.540  -5.347  -4.156
  347   HG23  ILE  47          HG23      ILE  47  11.272  -5.432  -2.934
  348   HD11  ILE  47          HD11      ILE  47  12.005  -3.540  -5.114
  349   HD12  ILE  47          HD12      ILE  47  13.534  -2.762  -4.719
  350   HD13  ILE  47          HD13      ILE  47  12.086  -1.787  -4.944
  351    H    SER  48           HN       SER  48  15.086  -3.958  -1.384
  352    HA   SER  48           HA       SER  48  16.277  -5.601   0.409
  353    HB2  SER  48           HB2      SER  48  14.665  -7.321  -0.664
  354    HB3  SER  48           HB1      SER  48  15.742  -7.240  -2.064
  355    HG   SER  48           HG       SER  48  16.082  -8.514   0.317
  356    H    TYR  49           HN       TYR  49  16.469  -5.958  -3.135
  357    HA   TYR  49           HA       TYR  49  18.593  -4.003  -3.332
  358    HB2  TYR  49           HB2      TYR  49  19.099  -6.945  -3.697
  359    HB3  TYR  49           HB1      TYR  49  20.063  -5.754  -4.552
  360    HD1  TYR  49           HD1      TYR  49  21.056  -3.827  -2.960
  361    HD2  TYR  49           HD2      TYR  49  19.924  -7.728  -1.639
  362    HE1  TYR  49           HE1      TYR  49  22.531  -3.604  -1.015
  363    HE2  TYR  49           HE2      TYR  49  21.396  -7.494   0.302
  364    HH   TYR  49           HH       TYR  49  22.761  -4.531   1.241
  365    H    GLU  50           HN       GLU  50  16.414  -3.447  -4.572
  366    HA   GLU  50           HA       GLU  50  17.059  -3.551  -7.324
  367    HB2  GLU  50           HB2      GLU  50  15.073  -4.780  -8.138
  368    HB3  GLU  50           HB1      GLU  50  16.172  -5.812  -7.228
  369    HG2  GLU  50           HG2      GLU  50  14.681  -5.451  -5.237
  370    HG3  GLU  50           HG1      GLU  50  13.534  -4.682  -6.339
  371    H    ASP  51           HN       ASP  51  14.990  -2.785  -8.640
  372    HA   ASP  51           HA       ASP  51  13.904  -0.505  -7.116
  373    HB2  ASP  51           HB2      ASP  51  15.904   0.082  -8.532
  374    HB3  ASP  51           HB1      ASP  51  14.975  -0.406  -9.948
  375    H    LYS  52           HN       LYS  52  11.732  -0.726  -7.118
  376    HA   LYS  52           HA       LYS  52  10.480  -1.546  -9.659
  377    HB2  LYS  52           HB2      LYS  52   8.998  -1.728  -7.079
  378    HB3  LYS  52           HB1      LYS  52   8.783  -2.651  -8.555
  379    HG2  LYS  52           HG2      LYS  52  11.062  -2.963  -6.631
  380    HG3  LYS  52           HG1      LYS  52   9.631  -3.981  -6.714
  381    HD2  LYS  52           HD2      LYS  52  11.640  -3.595  -8.929
  382    HD3  LYS  52           HD1      LYS  52  11.574  -4.989  -7.847
  383    HE2  LYS  52           HE2      LYS  52   9.415  -4.136  -9.776
  384    HE3  LYS  52           HE1      LYS  52  10.514  -5.496  -9.982
  385    HZ1  LYS  52           HZ1      LYS  52   8.369  -6.227  -9.172
  386    HZ2  LYS  52           HZ2      LYS  52   8.491  -5.217  -7.823
  387    HZ3  LYS  52           HZ3      LYS  52   9.557  -6.513  -8.004
  388    H    ASN  53           HN       ASN  53   8.411  -0.579 -10.091
  389    HA   ASN  53           HA       ASN  53   8.268   2.117  -8.946
  390    HB2  ASN  53           HB2      ASN  53   6.971   2.677 -11.108
  391    HB3  ASN  53           HB1      ASN  53   8.719   2.501 -11.200
  392   HD21  ASN  53          HD21      ASN  53   6.195  -0.004 -11.100
  393   HD22  ASN  53          HD22      ASN  53   6.608  -0.692 -12.642
  394    H    TRP  54           HN       TRP  54   6.594   2.713  -7.863
  395    HA   TRP  54           HA       TRP  54   4.470   0.718  -7.528
  396    HB2  TRP  54           HB2      TRP  54   6.327   1.911  -5.760
  397    HB3  TRP  54           HB1      TRP  54   4.713   2.498  -5.328
  398    HD1  TRP  54           HD1      TRP  54   6.825  -0.650  -5.357
  399    HE1  TRP  54           HE1      TRP  54   5.518  -2.495  -4.074
  400    HE3  TRP  54           HE3      TRP  54   2.462   1.800  -4.825
  401    HZ2  TRP  54           HZ2      TRP  54   2.864  -2.796  -2.993
  402    HZ3  TRP  54           HZ3      TRP  54   0.595   0.740  -3.708
  403    HH2  TRP  54           HH2      TRP  54   0.794  -1.521  -2.773
  404    H    GLY  55           HN       GLY  55   2.350   1.562  -6.640
  405    HA2  GLY  55           HA2      GLY  55   1.864   4.362  -6.656
  406    HA3  GLY  55           HA1      GLY  55   1.296   3.619  -8.121
  407    H    ILE  56           HN       ILE  56  -0.185   5.034  -6.180
  408    HA   ILE  56           HA       ILE  56  -2.071   2.949  -5.250
  409    HB   ILE  56           HB       ILE  56  -1.466   5.696  -4.173
  410   HG12  ILE  56          HG12      ILE  56  -1.409   4.446  -2.025
  411   HG13  ILE  56          HG11      ILE  56  -1.583   2.948  -2.945
  412   HG21  ILE  56          HG21      ILE  56  -3.874   4.010  -3.508
  413   HG22  ILE  56          HG22      ILE  56  -3.888   5.552  -4.362
  414   HG23  ILE  56          HG23      ILE  56  -3.388   5.483  -2.670
  415   HD11  ILE  56          HD11      ILE  56   0.544   3.427  -4.069
  416   HD12  ILE  56          HD12      ILE  56   0.728   3.326  -2.318
  417   HD13  ILE  56          HD13      ILE  56   0.710   4.899  -3.112
  418    H    PHE  57           HN       PHE  57  -4.014   2.882  -6.236
  419    HA   PHE  57           HA       PHE  57  -5.088   5.395  -7.354
  420    HB2  PHE  57           HB2      PHE  57  -5.919   2.767  -8.529
  421    HB3  PHE  57           HB1      PHE  57  -5.935   4.359  -9.254
  422    HD1  PHE  57           HD1      PHE  57  -3.569   1.713  -8.114
  423    HD2  PHE  57           HD2      PHE  57  -4.318   4.935 -10.791
  424    HE1  PHE  57           HE1      PHE  57  -1.518   1.160  -9.343
  425    HE2  PHE  57           HE2      PHE  57  -2.258   4.387 -12.021
  426    HZ   PHE  57           HZ       PHE  57  -0.859   2.493 -11.295
  427    H    VAL  58           HN       VAL  58  -6.517   5.907  -5.673
  428    HA   VAL  58           HA       VAL  58  -8.240   3.808  -4.647
  429    HB   VAL  58           HB       VAL  58  -7.496   5.465  -3.027
  430   HG11  VAL  58          HG11      VAL  58  -8.990   7.463  -4.708
  431   HG12  VAL  58          HG12      VAL  58  -7.250   7.416  -4.427
  432   HG13  VAL  58          HG13      VAL  58  -8.353   7.769  -3.094
  433   HG21  VAL  58          HG21      VAL  58 -10.446   5.765  -3.548
  434   HG22  VAL  58          HG22      VAL  58  -9.616   5.973  -2.007
  435   HG23  VAL  58          HG23      VAL  58  -9.699   4.379  -2.757
  436    H    ASN  59           HN       ASN  59 -10.207   3.340  -5.323
  437    HA   ASN  59           HA       ASN  59 -11.933   3.176  -6.786
  438    HB2  ASN  59           HB2      ASN  59 -11.897   6.189  -6.504
  439    HB3  ASN  59           HB1      ASN  59 -13.192   5.280  -7.273
  440   HD21  ASN  59          HD21      ASN  59 -13.316   7.003  -4.964
  441   HD22  ASN  59          HD22      ASN  59 -13.907   6.031  -3.664
  442    H    GLY  60           HN       GLY  60  -9.186   3.447  -7.845
  443    HA2  GLY  60           HA2      GLY  60  -8.443   3.147 -10.042
  444    HA3  GLY  60           HA1      GLY  60  -9.949   3.850 -10.621
  445    H    GLU  61           HN       GLU  61  -8.729   5.847  -8.251
  446    HA   GLU  61           HA       GLU  61  -7.506   7.580 -10.290
  447    HB2  GLU  61           HB2      GLU  61  -9.527   8.479  -9.211
  448    HB3  GLU  61           HB1      GLU  61  -8.753   8.319  -7.636
  449    HG2  GLU  61           HG2      GLU  61  -7.107   9.965  -8.219
  450    HG3  GLU  61           HG1      GLU  61  -7.730  10.057  -9.871
  451    H    LYS  62           HN       LYS  62  -5.387   7.865 -10.198
  452    HA   LYS  62           HA       LYS  62  -3.864   6.710  -8.066
  453    HB2  LYS  62           HB2      LYS  62  -3.185   6.700 -10.487
  454    HB3  LYS  62           HB1      LYS  62  -2.848   8.422 -10.335
  455    HG2  LYS  62           HG2      LYS  62  -1.123   8.008  -8.729
  456    HG3  LYS  62           HG1      LYS  62  -1.539   6.292  -8.656
  457    HD2  LYS  62           HD2      LYS  62   0.405   6.505 -10.022
  458    HD3  LYS  62           HD1      LYS  62  -0.952   6.140 -11.086
  459    HE2  LYS  62           HE2      LYS  62   0.438   7.869 -12.063
  460    HE3  LYS  62           HE1      LYS  62  -1.143   8.524 -11.638
  461    HZ1  LYS  62           HZ1      LYS  62   0.786   9.955 -11.034
  462    HZ2  LYS  62           HZ2      LYS  62   1.248   8.785  -9.899
  463    HZ3  LYS  62           HZ3      LYS  62  -0.236   9.583  -9.741
  464    H    VAL  63           HN       VAL  63  -3.412   7.664  -6.208
  465    HA   VAL  63           HA       VAL  63  -3.410  10.605  -6.117
  466    HB   VAL  63           HB       VAL  63  -4.027  10.547  -3.840
  467   HG11  VAL  63          HG11      VAL  63  -5.556   8.368  -5.240
  468   HG12  VAL  63          HG12      VAL  63  -5.868  10.102  -5.359
  469   HG13  VAL  63          HG13      VAL  63  -6.102   9.264  -3.823
  470   HG21  VAL  63          HG21      VAL  63  -3.525   7.576  -3.876
  471   HG22  VAL  63          HG22      VAL  63  -4.222   8.474  -2.526
  472   HG23  VAL  63          HG23      VAL  63  -2.566   8.796  -3.039
  473    H    TYR  64           HN       TYR  64  -1.528   7.750  -5.454
  474    HA   TYR  64           HA       TYR  64   0.741   9.451  -4.709
  475    HB2  TYR  64           HB2      TYR  64  -0.544   8.351  -2.727
  476    HB3  TYR  64           HB1      TYR  64   0.202   6.856  -3.281
  477    HD1  TYR  64           HD1      TYR  64   0.725  10.036  -1.594
  478    HD2  TYR  64           HD2      TYR  64   2.637   6.564  -3.120
  479    HE1  TYR  64           HE1      TYR  64   2.727  10.563  -0.266
  480    HE2  TYR  64           HE2      TYR  64   4.641   7.082  -1.806
  481    HH   TYR  64           HH       TYR  64   4.677   9.263   0.713
  482    H    THR  65           HN       THR  65   2.730   8.675  -5.415
  483    HA   THR  65           HA       THR  65   2.886   6.011  -6.610
  484    HB   THR  65           HB       THR  65   3.728   8.499  -8.135
  485    HG1  THR  65           HG1      THR  65   1.313   7.569  -7.854
  486   HG21  THR  65          HG21      THR  65   3.626   5.606  -8.979
  487   HG22  THR  65          HG22      THR  65   5.085   6.546  -8.667
  488   HG23  THR  65          HG23      THR  65   4.037   6.967 -10.023
  489    H    PHE  66           HN       PHE  66   5.076   5.175  -6.498
  490    HA   PHE  66           HA       PHE  66   7.227   6.902  -5.696
  491    HB2  PHE  66           HB2      PHE  66   7.566   6.050  -3.449
  492    HB3  PHE  66           HB1      PHE  66   5.973   6.783  -3.592
  493    HD1  PHE  66           HD1      PHE  66   7.834   3.752  -2.921
  494    HD2  PHE  66           HD2      PHE  66   3.959   5.345  -3.647
  495    HE1  PHE  66           HE1      PHE  66   6.827   1.715  -1.980
  496    HE2  PHE  66           HE2      PHE  66   2.942   3.313  -2.706
  497    HZ   PHE  66           HZ       PHE  66   4.377   1.494  -1.869
  498    H    ASN  67           HN       ASN  67   8.927   5.281  -4.452
  499    HA   ASN  67           HA       ASN  67   9.350   3.026  -6.310
  500    HB2  ASN  67           HB2      ASN  67  10.919   5.008  -6.523
  501    HB3  ASN  67           HB1      ASN  67  11.470   4.661  -4.886
  502   HD21  ASN  67          HD21      ASN  67  12.941   4.699  -7.366
  503   HD22  ASN  67          HD22      ASN  67  13.651   3.125  -7.549
  504    H    GLU  68           HN       GLU  68   9.985   1.099  -5.440
  505    HA   GLU  68           HA       GLU  68   8.988   0.607  -2.816
  506    HB2  GLU  68           HB2      GLU  68   9.194  -0.833  -5.104
  507    HB3  GLU  68           HB1      GLU  68  10.506  -1.519  -4.168
  508    HG2  GLU  68           HG2      GLU  68   8.713  -1.744  -2.307
  509    HG3  GLU  68           HG1      GLU  68   7.589  -1.568  -3.657
  510    H    LYS  69           HN       LYS  69  12.197   0.998  -4.154
  511    HA   LYS  69           HA       LYS  69  13.450  -0.339  -1.896
  512    HB2  LYS  69           HB2      LYS  69  15.560   0.114  -3.035
  513    HB3  LYS  69           HB1      LYS  69  14.404  -0.650  -4.118
  514    HG2  LYS  69           HG2      LYS  69  13.835   1.692  -4.906
  515    HG3  LYS  69           HG1      LYS  69  15.294   2.202  -4.059
  516    HD2  LYS  69           HD2      LYS  69  15.728  -0.137  -5.730
  517    HD3  LYS  69           HD1      LYS  69  15.219   1.271  -6.655
  518    HE2  LYS  69           HE2      LYS  69  17.028   2.521  -5.322
  519    HE3  LYS  69           HE1      LYS  69  17.628   0.916  -4.911
  520    HZ1  LYS  69           HZ1      LYS  69  17.916   0.430  -7.229
  521    HZ2  LYS  69           HZ2      LYS  69  18.710   1.880  -6.879
  522    HZ3  LYS  69           HZ3      LYS  69  17.222   1.904  -7.678
  523    H    SER  70           HN       SER  70  12.019   2.472  -2.059
  524    HA   SER  70           HA       SER  70  13.967   4.123  -0.777
  525    HB2  SER  70           HB2      SER  70  10.938   4.349  -0.812
  526    HB3  SER  70           HB1      SER  70  12.067   5.626  -0.355
  527    HG   SER  70           HG       SER  70  11.171   5.534  -2.629
  528    H    THR  71           HN       THR  71  12.167   4.918   1.526
  529    HA   THR  71           HA       THR  71  12.394   2.424   3.056
  530    HB   THR  71           HB       THR  71  12.099   3.960   5.075
  531    HG1  THR  71           HG1      THR  71  12.794   5.957   3.160
  532   HG21  THR  71          HG21      THR  71  14.251   2.987   4.533
  533   HG22  THR  71          HG22      THR  71  14.467   4.650   5.084
  534   HG23  THR  71          HG23      THR  71  14.562   4.271   3.364
  535    H    VAL  72           HN       VAL  72  10.577   1.373   3.222
  536    HA   VAL  72           HA       VAL  72   8.154   2.324   2.234
  537    HB   VAL  72           HB       VAL  72   8.418  -0.008   4.155
  538   HG11  VAL  72          HG11      VAL  72   6.635  -0.990   2.843
  539   HG12  VAL  72          HG12      VAL  72   6.588   0.437   1.804
  540   HG13  VAL  72          HG13      VAL  72   6.143   0.568   3.508
  541   HG21  VAL  72          HG21      VAL  72   9.065   0.071   1.207
  542   HG22  VAL  72          HG22      VAL  72   8.891  -1.401   2.160
  543   HG23  VAL  72          HG23      VAL  72  10.183  -0.260   2.530
  544    H    GLY  73           HN       GLY  73   9.569   2.824   5.283
  545    HA2  GLY  73           HA2      GLY  73   7.073   3.144   6.725
  546    HA3  GLY  73           HA1      GLY  73   8.686   3.531   7.328
  547    H    ASN  74           HN       ASN  74   9.575   5.347   5.452
  548    HA   ASN  74           HA       ASN  74   8.143   7.686   6.184
  549    HB2  ASN  74           HB2      ASN  74  10.308   7.230   4.123
  550    HB3  ASN  74           HB1      ASN  74   9.593   8.810   4.418
  551   HD21  ASN  74          HD21      ASN  74  11.840   6.463   5.471
  552   HD22  ASN  74          HD22      ASN  74  12.426   7.324   6.861
  553    H    ILE  75           HN       ILE  75   8.166   5.574   3.397
  554    HA   ILE  75           HA       ILE  75   6.687   7.264   1.669
  555    HB   ILE  75           HB       ILE  75   6.893   4.251   1.646
  556   HG12  ILE  75          HG12      ILE  75   9.103   5.305   1.516
  557   HG13  ILE  75          HG11      ILE  75   8.667   4.574  -0.028
  558   HG21  ILE  75          HG21      ILE  75   5.022   5.094   0.342
  559   HG22  ILE  75          HG22      ILE  75   6.282   4.440  -0.707
  560   HG23  ILE  75          HG23      ILE  75   6.107   6.183  -0.521
  561   HD11  ILE  75          HD11      ILE  75   8.534   7.497   0.660
  562   HD12  ILE  75          HD12      ILE  75   8.050   6.783  -0.877
  563   HD13  ILE  75          HD13      ILE  75   9.734   6.707  -0.361
  564    H    SER  76           HN       SER  76   5.683   4.374   3.508
  565    HA   SER  76           HA       SER  76   3.048   4.560   2.517
  566    HB2  SER  76           HB2      SER  76   4.013   2.886   4.815
  567    HB3  SER  76           HB1      SER  76   2.582   2.605   3.815
  568    HG   SER  76           HG       SER  76   5.276   2.185   3.244
  569    H    ASN  77           HN       ASN  77   4.442   5.286   5.665
  570    HA   ASN  77           HA       ASN  77   1.885   5.819   6.789
  571    HB2  ASN  77           HB2      ASN  77   4.623   5.931   7.752
  572    HB3  ASN  77           HB1      ASN  77   3.593   7.191   8.438
  573   HD21  ASN  77          HD21      ASN  77   1.125   5.754   8.414
  574   HD22  ASN  77          HD22      ASN  77   1.251   4.460   9.567
  575    H    ASP  78           HN       ASP  78   4.001   7.774   4.862
  576    HA   ASP  78           HA       ASP  78   2.739  10.254   5.387
  577    HB2  ASP  78           HB2      ASP  78   4.145   9.120   2.999
  578    HB3  ASP  78           HB1      ASP  78   3.237  10.623   2.842
  579    H    ILE  79           HN       ILE  79   2.082   7.715   3.020
  580    HA   ILE  79           HA       ILE  79  -0.291   8.601   1.904
  581    HB   ILE  79           HB       ILE  79   0.492   5.778   2.660
  582   HG12  ILE  79          HG12      ILE  79   0.701   7.218   0.010
  583   HG13  ILE  79          HG11      ILE  79   2.047   6.884   1.102
  584   HG21  ILE  79          HG21      ILE  79  -1.697   6.720   0.820
  585   HG22  ILE  79          HG22      ILE  79  -1.888   5.852   2.347
  586   HG23  ILE  79          HG23      ILE  79  -1.143   5.051   0.962
  587   HD11  ILE  79          HD11      ILE  79   1.940   5.299  -0.757
  588   HD12  ILE  79          HD12      ILE  79   0.329   4.801  -0.233
  589   HD13  ILE  79          HD13      ILE  79   1.727   4.501   0.801
  590    H    ASN  80           HN       ASN  80   0.352   7.283   5.049
  591    HA   ASN  80           HA       ASN  80  -2.409   6.638   5.488
  592    HB2  ASN  80           HB2      ASN  80  -0.065   6.431   7.386
  593    HB3  ASN  80           HB1      ASN  80  -1.660   5.735   7.647
  594   HD21  ASN  80          HD21      ASN  80   0.990   4.462   7.474
  595   HD22  ASN  80          HD22      ASN  80   0.859   3.290   6.208
  596    H    LYS  81           HN       LYS  81  -0.096   9.043   6.602
  597    HA   LYS  81           HA       LYS  81  -1.695  10.272   8.531
  598    HB2  LYS  81           HB2      LYS  81   0.358  11.448   6.652
  599    HB3  LYS  81           HB1      LYS  81  -0.398  12.363   7.954
  600    HG2  LYS  81           HG2      LYS  81   0.500  10.772   9.587
  601    HG3  LYS  81           HG1      LYS  81   1.268   9.872   8.275
  602    HD2  LYS  81           HD2      LYS  81   1.822  12.782   8.829
  603    HD3  LYS  81           HD1      LYS  81   2.763  11.470   9.536
  604    HE2  LYS  81           HE2      LYS  81   3.313  10.676   7.273
  605    HE3  LYS  81           HE1      LYS  81   2.413  12.031   6.593
  606    HZ1  LYS  81           HZ1      LYS  81   4.792  12.274   8.353
  607    HZ2  LYS  81           HZ2      LYS  81   3.951  13.551   7.634
  608    HZ3  LYS  81           HZ3      LYS  81   4.801  12.452   6.672
  609    H    LEU  82           HN       LEU  82  -1.776  10.370   5.067
  610    HA   LEU  82           HA       LEU  82  -3.430  12.578   4.619
  611    HB2  LEU  82           HB2      LEU  82  -3.708  10.032   3.054
  612    HB3  LEU  82           HB1      LEU  82  -3.827  11.689   2.486
  613    HG   LEU  82           HG       LEU  82  -1.290  10.222   3.266
  614   HD11  LEU  82          HD11      LEU  82  -2.195   9.534   1.117
  615   HD12  LEU  82          HD12      LEU  82  -0.747  10.512   0.877
  616   HD13  LEU  82          HD13      LEU  82  -2.341  11.215   0.604
  617   HD21  LEU  82          HD21      LEU  82  -1.676  13.061   2.261
  618   HD22  LEU  82          HD22      LEU  82  -0.127  12.249   2.489
  619   HD23  LEU  82          HD23      LEU  82  -1.153  12.593   3.880
  620    H    ASN  83           HN       ASN  83  -4.110   9.482   5.981
  621    HA   ASN  83           HA       ASN  83  -6.004   8.181   6.148
  622    HB2  ASN  83           HB2      ASN  83  -6.424  10.756   7.489
  623    HB3  ASN  83           HB1      ASN  83  -7.894   9.829   7.195
  624   HD21  ASN  83          HD21      ASN  83  -4.783   8.267   7.633
  625   HD22  ASN  83          HD22      ASN  83  -5.137   7.561   9.177
  626    H    ILE  84           HN       ILE  84  -6.357   7.692   4.057
  627    HA   ILE  84           HA       ILE  84  -7.536   9.388   2.151
  628    HB   ILE  84           HB       ILE  84  -7.355   6.379   2.084
  629   HG12  ILE  84          HG12      ILE  84  -5.363   8.511   1.280
  630   HG13  ILE  84          HG11      ILE  84  -5.201   7.369   2.621
  631   HG21  ILE  84          HG21      ILE  84  -7.317   6.676  -0.347
  632   HG22  ILE  84          HG22      ILE  84  -7.486   8.418  -0.143
  633   HG23  ILE  84          HG23      ILE  84  -8.794   7.342   0.350
  634   HD11  ILE  84          HD11      ILE  84  -5.107   5.520   1.027
  635   HD12  ILE  84          HD12      ILE  84  -3.841   6.707   0.716
  636   HD13  ILE  84          HD13      ILE  84  -5.275   6.660  -0.309
  637    H    LYS  85           HN       LYS  85  -9.532   9.811   1.676
  638    HA   LYS  85           HA       LYS  85 -11.691   8.728   3.256
  639    HB2  LYS  85           HB2      LYS  85 -13.064  10.353   1.949
  640    HB3  LYS  85           HB1      LYS  85 -11.723  11.077   2.837
  641    HG2  LYS  85           HG2      LYS  85 -10.561  10.556   0.400
  642    HG3  LYS  85           HG1      LYS  85 -12.220  10.976  -0.046
  643    HD2  LYS  85           HD2      LYS  85 -10.890  12.976  -0.052
  644    HD3  LYS  85           HD1      LYS  85 -12.000  13.046   1.317
  645    HE2  LYS  85           HE2      LYS  85 -10.255  12.435   2.843
  646    HE3  LYS  85           HE1      LYS  85  -9.136  12.115   1.519
  647    HZ1  LYS  85           HZ1      LYS  85 -10.272  14.759   2.254
  648    HZ2  LYS  85           HZ2      LYS  85  -9.236  14.473   0.949
  649    HZ3  LYS  85           HZ3      LYS  85  -8.684  14.244   2.527
  650    H    GLY  86           HN       GLY  86 -10.365   6.944   1.386
  651    HA2  GLY  86           HA2      GLY  86 -12.718   6.071  -0.091
  652    HA3  GLY  86           HA1      GLY  86 -11.255   6.388  -1.007
  653    HA   PRO  87           HA       PRO  87 -10.759   2.513   1.794
  654    HB2  PRO  87           HB2      PRO  87 -12.881   0.895   1.851
  655    HB3  PRO  87           HB1      PRO  87 -12.780   2.314   2.907
  656    HG2  PRO  87           HG2      PRO  87 -14.258   1.975   0.324
  657    HG3  PRO  87           HG1      PRO  87 -14.806   2.732   1.833
  658    HD2  PRO  87           HD2      PRO  87 -13.851   4.134  -0.327
  659    HD3  PRO  87           HD1      PRO  87 -13.773   4.722   1.348
  660    H    TYR  88           HN       TYR  88 -12.077   2.707  -1.385
  661    HA   TYR  88           HA       TYR  88 -11.259  -0.042  -1.979
  662    HB2  TYR  88           HB2      TYR  88 -12.558   1.861  -3.926
  663    HB3  TYR  88           HB1      TYR  88 -12.536   0.096  -3.965
  664    HD1  TYR  88           HD1      TYR  88 -14.372   2.988  -2.994
  665    HD2  TYR  88           HD2      TYR  88 -13.817  -1.133  -2.088
  666    HE1  TYR  88           HE1      TYR  88 -16.540   2.953  -1.843
  667    HE2  TYR  88           HE2      TYR  88 -15.983  -1.174  -0.935
  668    HH   TYR  88           HH       TYR  88 -18.283   1.208  -1.263
  669    H    ILE  89           HN       ILE  89  -9.101  -0.083  -2.253
  670    HA   ILE  89           HA       ILE  89  -7.911   2.097  -3.816
  671    HB   ILE  89           HB       ILE  89  -6.797   0.877  -1.293
  672   HG12  ILE  89          HG12      ILE  89  -7.798   3.644  -1.957
  673   HG13  ILE  89          HG11      ILE  89  -8.584   2.480  -0.889
  674   HG21  ILE  89          HG21      ILE  89  -4.954   2.479  -1.547
  675   HG22  ILE  89          HG22      ILE  89  -5.608   2.973  -3.110
  676   HG23  ILE  89          HG23      ILE  89  -5.009   1.329  -2.884
  677   HD11  ILE  89          HD11      ILE  89  -5.925   3.811  -0.415
  678   HD12  ILE  89          HD12      ILE  89  -6.684   2.625   0.645
  679   HD13  ILE  89          HD13      ILE  89  -7.447   4.194   0.388
  680    H    GLU  90           HN       GLU  90  -6.683   1.533  -5.413
  681    HA   GLU  90           HA       GLU  90  -5.661  -1.177  -5.665
  682    HB2  GLU  90           HB2      GLU  90  -5.257   1.273  -7.381
  683    HB3  GLU  90           HB1      GLU  90  -4.800  -0.364  -7.812
  684    HG2  GLU  90           HG2      GLU  90  -7.636   0.426  -7.237
  685    HG3  GLU  90           HG1      GLU  90  -6.918   0.570  -8.846
  686    H    ILE  91           HN       ILE  91  -4.074  -1.352  -4.072
  687    HA   ILE  91           HA       ILE  91  -1.901   0.599  -4.306
  688    HB   ILE  91           HB       ILE  91  -3.098   0.354  -2.071
  689   HG12  ILE  91          HG12      ILE  91  -0.158  -0.241  -1.885
  690   HG13  ILE  91          HG11      ILE  91  -0.775   1.309  -2.446
  691   HG21  ILE  91          HG21      ILE  91  -2.567  -1.464  -0.625
  692   HG22  ILE  91          HG22      ILE  91  -1.511  -2.187  -1.841
  693   HG23  ILE  91          HG23      ILE  91  -3.255  -2.112  -2.115
  694   HD11  ILE  91          HD11      ILE  91  -1.906   1.623  -0.311
  695   HD12  ILE  91          HD12      ILE  91  -0.170   1.389  -0.100
  696   HD13  ILE  91          HD13      ILE  91  -1.286   0.069   0.245
  697    H    LYS  92           HN       LYS  92  -0.701  -0.194  -5.894
  698    HA   LYS  92           HA       LYS  92   0.518  -2.842  -5.610
  699    HB2  LYS  92           HB2      LYS  92  -0.211  -3.301  -8.004
  700    HB3  LYS  92           HB1      LYS  92  -1.519  -3.313  -6.811
  701    HG2  LYS  92           HG2      LYS  92  -1.929  -0.911  -7.369
  702    HG3  LYS  92           HG1      LYS  92  -0.779  -1.087  -8.690
  703    HD2  LYS  92           HD2      LYS  92  -3.165  -1.253  -9.298
  704    HD3  LYS  92           HD1      LYS  92  -2.183  -2.624  -9.813
  705    HE2  LYS  92           HE2      LYS  92  -2.994  -3.900  -7.866
  706    HE3  LYS  92           HE1      LYS  92  -3.994  -2.524  -7.393
  707    HZ1  LYS  92           HZ1      LYS  92  -5.146  -4.342  -8.651
  708    HZ2  LYS  92           HZ2      LYS  92  -4.263  -3.877 -10.018
  709    HZ3  LYS  92           HZ3      LYS  92  -5.340  -2.789  -9.292
  710    H    GLN  93           HN       GLN  93   2.005  -3.148  -7.636
  711    HA   GLN  93           HA       GLN  93   3.155  -0.535  -8.268
  712    HB2  GLN  93           HB2      GLN  93   5.168  -2.057  -8.983
  713    HB3  GLN  93           HB1      GLN  93   4.922  -1.567  -7.312
  714    HG2  GLN  93           HG2      GLN  93   3.790  -3.746  -6.914
  715    HG3  GLN  93           HG1      GLN  93   4.216  -4.217  -8.562
  716   HE21  GLN  93          HE21      GLN  93   6.359  -2.232  -6.712
  717   HE22  GLN  93          HE22      GLN  93   7.534  -3.455  -6.345
  718    H    ILE  94           HN       ILE  94   4.329  -0.522 -10.391
  719    HA   ILE  94           HA       ILE  94   2.290  -1.324 -12.352
  720    HB   ILE  94           HB       ILE  94   2.944   0.917 -13.438
  721   HG12  ILE  94          HG12      ILE  94   4.232   1.132 -10.717
  722   HG13  ILE  94          HG11      ILE  94   4.932   1.510 -12.285
  723   HG21  ILE  94          HG21      ILE  94   0.810   0.513 -12.333
  724   HG22  ILE  94          HG22      ILE  94   1.392   2.142 -11.984
  725   HG23  ILE  94          HG23      ILE  94   1.547   0.872 -10.771
  726   HD11  ILE  94          HD11      ILE  94   4.511   3.510 -10.980
  727   HD12  ILE  94          HD12      ILE  94   2.803   3.090 -10.864
  728   HD13  ILE  94          HD13      ILE  94   3.507   3.488 -12.431
  Start of MODEL   13
    1    H    ASP   1           HT1      ASP   1 -11.984  -8.359  -6.384
    2    HA   ASP   1           HA       ASP   1 -14.067  -8.159  -7.525
    3    HB2  ASP   1           HB2      ASP   1 -14.515 -10.586  -7.905
    4    HB3  ASP   1           HB1      ASP   1 -12.805 -10.172  -7.977
    5    H    ASN   2           HN       ASN   2 -16.287  -8.609  -7.653
    6    HA   ASN   2           HA       ASN   2 -18.427  -8.667  -6.962
    7    HB2  ASN   2           HB2      ASN   2 -17.273 -10.120  -4.581
    8    HB3  ASN   2           HB1      ASN   2 -18.994  -9.806  -4.762
    9   HD21  ASN   2          HD21      ASN   2 -18.986 -10.189  -7.645
   10   HD22  ASN   2          HD22      ASN   2 -18.811 -11.888  -7.905
   11    H    GLN   3           HN       GLN   3 -16.364  -7.856  -4.194
   12    HA   GLN   3           HA       GLN   3 -18.160  -5.742  -3.354
   13    HB2  GLN   3           HB2      GLN   3 -15.360  -6.378  -2.388
   14    HB3  GLN   3           HB1      GLN   3 -16.538  -5.353  -1.580
   15    HG2  GLN   3           HG2      GLN   3 -16.937  -8.290  -2.093
   16    HG3  GLN   3           HG1      GLN   3 -16.278  -7.627  -0.600
   17   HE21  GLN   3          HE21      GLN   3 -17.987  -8.525   0.569
   18   HE22  GLN   3          HE22      GLN   3 -19.576  -7.838   0.540
   19    H    LYS   4           HN       LYS   4 -16.903  -5.818  -5.982
   20    HA   LYS   4           HA       LYS   4 -14.676  -4.313  -6.420
   21    HB2  LYS   4           HB2      LYS   4 -15.630  -5.571  -8.174
   22    HB3  LYS   4           HB1      LYS   4 -17.171  -4.741  -8.049
   23    HG2  LYS   4           HG2      LYS   4 -16.153  -2.697  -8.912
   24    HG3  LYS   4           HG1      LYS   4 -14.593  -3.511  -9.008
   25    HD2  LYS   4           HD2      LYS   4 -17.051  -4.446 -10.475
   26    HD3  LYS   4           HD1      LYS   4 -15.856  -3.355 -11.175
   27    HE2  LYS   4           HE2      LYS   4 -15.326  -6.142 -10.154
   28    HE3  LYS   4           HE1      LYS   4 -15.459  -5.671 -11.846
   29    HZ1  LYS   4           HZ1      LYS   4 -13.534  -4.224 -11.534
   30    HZ2  LYS   4           HZ2      LYS   4 -13.161  -5.838 -11.196
   31    HZ3  LYS   4           HZ3      LYS   4 -13.393  -4.742  -9.931
   32    H    ALA   5           HN       ALA   5 -18.021  -3.076  -6.286
   33    HA   ALA   5           HA       ALA   5 -17.025  -0.351  -6.521
   34    HB1  ALA   5           HB1      ALA   5 -19.378   0.289  -6.638
   35    HB2  ALA   5           HB2      ALA   5 -19.852  -1.375  -6.301
   36    HB3  ALA   5           HB3      ALA   5 -19.007  -0.986  -7.798
   37    H    LEU   6           HN       LEU   6 -17.799  -2.560  -4.085
   38    HA   LEU   6           HA       LEU   6 -18.687  -0.531  -2.194
   39    HB2  LEU   6           HB2      LEU   6 -18.443  -3.525  -1.887
   40    HB3  LEU   6           HB1      LEU   6 -19.031  -2.439  -0.640
   41    HG   LEU   6           HG       LEU   6 -20.956  -3.387  -1.557
   42   HD11  LEU   6          HD11      LEU   6 -22.128  -1.567  -2.655
   43   HD12  LEU   6          HD12      LEU   6 -20.594  -0.768  -2.995
   44   HD13  LEU   6          HD13      LEU   6 -21.132  -0.971  -1.328
   45   HD21  LEU   6          HD21      LEU   6 -19.845  -2.856  -4.305
   46   HD22  LEU   6          HD22      LEU   6 -21.423  -3.556  -3.945
   47   HD23  LEU   6          HD23      LEU   6 -19.952  -4.425  -3.508
   48    H    GLU   7           HN       GLU   7 -16.590  -3.314  -1.618
   49    HA   GLU   7           HA       GLU   7 -15.021  -1.611   0.172
   50    HB2  GLU   7           HB2      GLU   7 -15.336  -4.610   0.128
   51    HB3  GLU   7           HB1      GLU   7 -14.395  -3.703   1.303
   52    HG2  GLU   7           HG2      GLU   7 -16.428  -2.582   2.063
   53    HG3  GLU   7           HG1      GLU   7 -17.368  -3.501   0.889
   54    H    GLU   8           HN       GLU   8 -14.227  -4.673  -1.399
   55    HA   GLU   8           HA       GLU   8 -12.343  -5.448  -2.370
   56    HB2  GLU   8           HB2      GLU   8 -12.078  -2.563  -3.194
   57    HB3  GLU   8           HB1      GLU   8 -10.932  -3.803  -3.689
   58    HG2  GLU   8           HG2      GLU   8 -13.883  -3.786  -4.273
   59    HG3  GLU   8           HG1      GLU   8 -12.591  -3.404  -5.412
   60    H    GLN   9           HN       GLN   9 -12.457  -4.120   0.353
   61    HA   GLN   9           HA       GLN   9  -9.677  -3.578   0.930
   62    HB2  GLN   9           HB2      GLN   9 -12.033  -3.936   2.793
   63    HB3  GLN   9           HB1      GLN   9 -10.453  -3.317   3.247
   64    HG2  GLN   9           HG2      GLN   9 -10.772  -1.321   2.053
   65    HG3  GLN   9           HG1      GLN   9 -12.151  -1.977   1.171
   66   HE21  GLN   9          HE21      GLN   9 -14.130  -2.153   2.196
   67   HE22  GLN   9          HE22      GLN   9 -14.498  -1.285   3.646
   68    H    MET  10           HN       MET  10 -10.765  -6.255  -0.050
   69    HA   MET  10           HA       MET  10 -10.126  -7.959   2.251
   70    HB2  MET  10           HB2      MET  10 -11.666  -8.607  -0.266
   71    HB3  MET  10           HB1      MET  10 -11.402  -9.707   1.079
   72    HG2  MET  10           HG2      MET  10 -12.929  -7.117   1.193
   73    HG3  MET  10           HG1      MET  10 -13.633  -8.730   1.125
   74    HE1  MET  10           HE1      MET  10 -11.900 -10.474   3.035
   75    HE2  MET  10           HE2      MET  10 -13.662 -10.434   3.085
   76    HE3  MET  10           HE3      MET  10 -12.733 -10.248   4.573
   77    H    ASN  11           HN       ASN  11  -9.999 -10.200   0.140
   78    HA   ASN  11           HA       ASN  11  -7.260 -10.585   0.360
   79    HB2  ASN  11           HB2      ASN  11  -9.191 -11.837  -1.596
   80    HB3  ASN  11           HB1      ASN  11  -7.576 -12.442  -1.248
   81   HD21  ASN  11          HD21      ASN  11  -7.176 -13.459   0.702
   82   HD22  ASN  11          HD22      ASN  11  -8.446 -13.977   1.755
   83    H    SER  12           HN       SER  12  -9.029  -8.961  -2.188
   84    HA   SER  12           HA       SER  12  -7.158  -9.064  -4.238
   85    HB2  SER  12           HB2      SER  12  -8.946  -6.720  -3.549
   86    HB3  SER  12           HB1      SER  12  -8.229  -7.068  -5.127
   87    HG   SER  12           HG       SER  12  -9.423  -9.210  -4.768
   88    H    ILE  13           HN       ILE  13  -7.330  -6.852  -1.471
   89    HA   ILE  13           HA       ILE  13  -4.927  -5.477  -2.375
   90    HB   ILE  13           HB       ILE  13  -6.806  -4.157  -1.476
   91   HG12  ILE  13          HG12      ILE  13  -4.244  -3.594  -1.167
   92   HG13  ILE  13          HG11      ILE  13  -5.490  -2.574  -0.464
   93   HG21  ILE  13          HG21      ILE  13  -7.256  -4.160   0.948
   94   HG22  ILE  13          HG22      ILE  13  -6.206  -5.566   1.113
   95   HG23  ILE  13          HG23      ILE  13  -7.686  -5.677   0.159
   96   HD11  ILE  13          HD11      ILE  13  -3.920  -4.694   0.988
   97   HD12  ILE  13          HD12      ILE  13  -5.158  -3.657   1.697
   98   HD13  ILE  13          HD13      ILE  13  -3.659  -2.954   1.088
   99    H    ASN  14           HN       ASN  14  -5.934  -7.836  -0.011
  100    HA   ASN  14           HA       ASN  14  -3.594  -7.646   1.610
  101    HB2  ASN  14           HB2      ASN  14  -5.559  -9.899   1.358
  102    HB3  ASN  14           HB1      ASN  14  -4.331  -9.770   2.603
  103   HD21  ASN  14          HD21      ASN  14  -7.152  -9.977   2.985
  104   HD22  ASN  14          HD22      ASN  14  -7.656  -8.542   3.809
  105    H    SER  15           HN       SER  15  -4.429  -9.418  -1.285
  106    HA   SER  15           HA       SER  15  -2.309 -11.224  -1.350
  107    HB2  SER  15           HB2      SER  15  -4.138 -11.121  -3.048
  108    HB3  SER  15           HB1      SER  15  -3.408  -9.656  -3.704
  109    HG   SER  15           HG       SER  15  -1.989 -12.097  -3.464
  110    H    VAL  16           HN       VAL  16  -2.432  -7.783  -2.073
  111    HA   VAL  16           HA       VAL  16   0.269  -7.526  -2.901
  112    HB   VAL  16           HB       VAL  16  -1.517  -5.429  -1.651
  113   HG11  VAL  16          HG11      VAL  16   0.848  -4.822  -1.589
  114   HG12  VAL  16          HG12      VAL  16  -0.031  -3.819  -2.742
  115   HG13  VAL  16          HG13      VAL  16   0.982  -5.142  -3.319
  116   HG21  VAL  16          HG21      VAL  16  -1.002  -6.053  -4.552
  117   HG22  VAL  16          HG22      VAL  16  -2.002  -4.740  -3.931
  118   HG23  VAL  16          HG23      VAL  16  -2.489  -6.416  -3.673
  119    H    ASN  17           HN       ASN  17  -1.364  -7.534   0.218
  120    HA   ASN  17           HA       ASN  17   0.741  -6.537   1.805
  121    HB2  ASN  17           HB2      ASN  17  -1.620  -8.296   2.311
  122    HB3  ASN  17           HB1      ASN  17  -0.359  -8.237   3.536
  123   HD21  ASN  17          HD21      ASN  17  -2.675  -6.300   1.733
  124   HD22  ASN  17          HD22      ASN  17  -2.784  -5.028   2.902
  125    H    ASP  18           HN       ASP  18   0.049  -9.756   0.560
  126    HA   ASP  18           HA       ASP  18   2.195 -11.078   1.881
  127    HB2  ASP  18           HB2      ASP  18   0.693 -11.831  -0.635
  128    HB3  ASP  18           HB1      ASP  18   1.809 -12.889   0.222
  129    H    LYS  19           HN       LYS  19   1.826  -9.517  -1.246
  130    HA   LYS  19           HA       LYS  19   4.321 -10.355  -2.333
  131    HB2  LYS  19           HB2      LYS  19   2.375  -9.530  -3.670
  132    HB3  LYS  19           HB1      LYS  19   2.671  -7.918  -3.038
  133    HG2  LYS  19           HG2      LYS  19   5.115  -8.786  -4.105
  134    HG3  LYS  19           HG1      LYS  19   3.870  -9.248  -5.272
  135    HD2  LYS  19           HD2      LYS  19   4.432  -7.093  -5.932
  136    HD3  LYS  19           HD1      LYS  19   2.989  -6.846  -4.949
  137    HE2  LYS  19           HE2      LYS  19   4.521  -5.182  -4.274
  138    HE3  LYS  19           HE1      LYS  19   4.553  -6.405  -3.006
  139    HZ1  LYS  19           HZ1      LYS  19   6.535  -6.177  -5.208
  140    HZ2  LYS  19           HZ2      LYS  19   6.588  -7.293  -3.938
  141    HZ3  LYS  19           HZ3      LYS  19   6.784  -5.638  -3.621
  142    H    LEU  20           HN       LEU  20   3.189  -7.543  -0.601
  143    HA   LEU  20           HA       LEU  20   5.569  -6.039  -0.728
  144    HB2  LEU  20           HB2      LEU  20   3.138  -6.024   1.011
  145    HB3  LEU  20           HB1      LEU  20   4.488  -4.953   1.356
  146    HG   LEU  20           HG       LEU  20   3.068  -5.007  -1.313
  147   HD11  LEU  20          HD11      LEU  20   1.583  -4.362   0.607
  148   HD12  LEU  20          HD12      LEU  20   1.804  -3.123  -0.622
  149   HD13  LEU  20          HD13      LEU  20   2.671  -3.011   0.901
  150   HD21  LEU  20          HD21      LEU  20   4.190  -2.800  -1.531
  151   HD22  LEU  20          HD22      LEU  20   5.325  -4.138  -1.391
  152   HD23  LEU  20          HD23      LEU  20   5.013  -3.099  -0.003
  153    H    ASN  21           HN       ASN  21   4.290  -8.345   1.632
  154    HA   ASN  21           HA       ASN  21   6.582  -8.024   3.345
  155    HB2  ASN  21           HB2      ASN  21   4.111  -9.712   3.430
  156    HB3  ASN  21           HB1      ASN  21   5.485 -10.146   4.449
  157   HD21  ASN  21          HD21      ASN  21   2.961  -7.803   3.864
  158   HD22  ASN  21          HD22      ASN  21   3.176  -6.925   5.343
  159    H    LYS  22           HN       LYS  22   7.182  -8.663   0.739
  160    HA   LYS  22           HA       LYS  22   7.829 -11.179  -0.078
  161    HB2  LYS  22           HB2      LYS  22   9.846  -9.976  -1.131
  162    HB3  LYS  22           HB1      LYS  22   8.245  -9.325  -1.497
  163    HG2  LYS  22           HG2      LYS  22   8.555  -7.683   0.343
  164    HG3  LYS  22           HG1      LYS  22  10.199  -8.275   0.543
  165    HD2  LYS  22           HD2      LYS  22  10.803  -7.504  -1.642
  166    HD3  LYS  22           HD1      LYS  22   9.123  -7.093  -2.012
  167    HE2  LYS  22           HE2      LYS  22  10.717  -5.852   0.236
  168    HE3  LYS  22           HE1      LYS  22  10.549  -5.135  -1.370
  169    HZ1  LYS  22           HZ1      LYS  22   8.172  -4.993  -1.038
  170    HZ2  LYS  22           HZ2      LYS  22   8.981  -4.211   0.232
  171    HZ3  LYS  22           HZ3      LYS  22   8.303  -5.741   0.483
  172    H    GLY  23           HN       GLY  23   9.625  -9.172   2.193
  173    HA2  GLY  23           HA2      GLY  23  10.872 -11.221   3.618
  174    HA3  GLY  23           HA1      GLY  23  11.977 -10.713   2.335
  175    H    LYS  24           HN       LYS  24  12.482  -8.400   2.198
  176    HA   LYS  24           HA       LYS  24  12.323  -6.995   4.729
  177    HB2  LYS  24           HB2      LYS  24  13.254  -5.996   2.025
  178    HB3  LYS  24           HB1      LYS  24  13.383  -5.122   3.542
  179    HG2  LYS  24           HG2      LYS  24  14.772  -7.113   4.348
  180    HG3  LYS  24           HG1      LYS  24  14.892  -7.527   2.635
  181    HD2  LYS  24           HD2      LYS  24  15.639  -5.142   2.256
  182    HD3  LYS  24           HD1      LYS  24  15.803  -5.015   4.005
  183    HE2  LYS  24           HE2      LYS  24  17.239  -6.983   2.230
  184    HE3  LYS  24           HE1      LYS  24  17.946  -5.561   2.996
  185    HZ1  LYS  24           HZ1      LYS  24  17.418  -6.548   5.161
  186    HZ2  LYS  24           HZ2      LYS  24  18.469  -7.521   4.262
  187    HZ3  LYS  24           HZ3      LYS  24  16.835  -7.934   4.388
  188    H    GLY  25           HN       GLY  25  11.813  -4.449   3.900
  189    HA2  GLY  25           HA2      GLY  25   9.995  -3.059   3.832
  190    HA3  GLY  25           HA1      GLY  25   9.817  -3.773   2.266
  191    H    LYS  26           HN       LYS  26   8.931  -4.042   5.549
  192    HA   LYS  26           HA       LYS  26   6.932  -6.060   4.975
  193    HB2  LYS  26           HB2      LYS  26   7.636  -4.632   7.489
  194    HB3  LYS  26           HB1      LYS  26   6.829  -6.197   7.375
  195    HG2  LYS  26           HG2      LYS  26   9.528  -5.853   6.185
  196    HG3  LYS  26           HG1      LYS  26   9.391  -5.920   7.943
  197    HD2  LYS  26           HD2      LYS  26   9.819  -8.139   7.127
  198    HD3  LYS  26           HD1      LYS  26   8.144  -8.074   7.680
  199    HE2  LYS  26           HE2      LYS  26   7.313  -7.979   5.487
  200    HE3  LYS  26           HE1      LYS  26   8.907  -7.595   4.817
  201    HZ1  LYS  26           HZ1      LYS  26   8.258  -9.928   4.433
  202    HZ2  LYS  26           HZ2      LYS  26   8.132 -10.180   6.097
  203    HZ3  LYS  26           HZ3      LYS  26   9.637  -9.831   5.409
  204    H    LEU  27           HN       LEU  27   5.553  -4.521   3.657
  205    HA   LEU  27           HA       LEU  27   4.342  -2.400   5.223
  206    HB2  LEU  27           HB2      LEU  27   4.959  -2.094   2.791
  207    HB3  LEU  27           HB1      LEU  27   3.643  -3.182   2.382
  208    HG   LEU  27           HG       LEU  27   2.002  -1.661   3.146
  209   HD11  LEU  27          HD11      LEU  27   2.604   0.491   4.224
  210   HD12  LEU  27          HD12      LEU  27   4.266  -0.083   4.346
  211   HD13  LEU  27          HD13      LEU  27   2.978  -0.924   5.206
  212   HD21  LEU  27          HD21      LEU  27   4.159  -0.099   1.733
  213   HD22  LEU  27          HD22      LEU  27   2.459   0.359   1.836
  214   HD23  LEU  27          HD23      LEU  27   2.929  -1.100   0.965
  215    H    SER  28           HN       SER  28   2.933  -3.049   6.645
  216    HA   SER  28           HA       SER  28   0.970  -5.121   5.961
  217    HB2  SER  28           HB2      SER  28   1.677  -3.807   8.608
  218    HB3  SER  28           HB1      SER  28   0.512  -5.118   8.400
  219    HG   SER  28           HG       SER  28   2.131  -6.506   7.919
  220    H    LEU  29           HN       LEU  29  -0.869  -4.293   5.064
  221    HA   LEU  29           HA       LEU  29  -1.664  -1.561   5.848
  222    HB2  LEU  29           HB2      LEU  29  -2.431  -2.866   3.264
  223    HB3  LEU  29           HB1      LEU  29  -2.460  -1.159   3.678
  224    HG   LEU  29           HG       LEU  29   0.164  -1.565   3.897
  225   HD11  LEU  29          HD11      LEU  29  -0.728  -3.585   1.849
  226   HD12  LEU  29          HD12      LEU  29   0.051  -3.939   3.392
  227   HD13  LEU  29          HD13      LEU  29   0.934  -3.072   2.137
  228   HD21  LEU  29          HD21      LEU  29   0.381  -0.744   1.611
  229   HD22  LEU  29          HD22      LEU  29  -0.907   0.090   2.480
  230   HD23  LEU  29          HD23      LEU  29  -1.302  -1.162   1.302
  231    H    SER  30           HN       SER  30  -3.673  -1.076   6.367
  232    HA   SER  30           HA       SER  30  -5.736  -3.029   5.870
  233    HB2  SER  30           HB2      SER  30  -4.893  -3.495   8.165
  234    HB3  SER  30           HB1      SER  30  -5.309  -1.840   8.618
  235    HG   SER  30           HG       SER  30  -6.955  -4.039   8.142
  236    H    MET  31           HN       MET  31  -7.558  -2.086   5.175
  237    HA   MET  31           HA       MET  31  -7.739   0.841   5.354
  238    HB2  MET  31           HB2      MET  31  -8.903  -1.153   3.418
  239    HB3  MET  31           HB1      MET  31  -9.505   0.496   3.520
  240    HG2  MET  31           HG2      MET  31  -7.300   1.350   2.966
  241    HG3  MET  31           HG1      MET  31  -6.672  -0.297   2.897
  242    HE1  MET  31           HE1      MET  31  -8.413  -1.769  -0.238
  243    HE2  MET  31           HE2      MET  31  -8.803  -1.966   1.472
  244    HE3  MET  31           HE3      MET  31  -7.122  -1.982   0.945
  245    H    ASN  32           HN       ASN  32  -9.578   1.848   6.102
  246    HA   ASN  32           HA       ASN  32 -11.903   0.240   6.779
  247    HB2  ASN  32           HB2      ASN  32 -10.592   0.170   8.857
  248    HB3  ASN  32           HB1      ASN  32 -10.506   1.932   8.868
  249   HD21  ASN  32          HD21      ASN  32 -11.540   2.058  10.863
  250   HD22  ASN  32          HD22      ASN  32 -13.241   1.758  11.037
  251    H    GLY  33           HN       GLY  33 -12.966   1.376   5.176
  252    HA2  GLY  33           HA2      GLY  33 -14.492   2.959   4.539
  253    HA3  GLY  33           HA1      GLY  33 -14.315   3.682   6.130
  254    H    ASN  34           HN       ASN  34 -12.819   5.368   6.424
  255    HA   ASN  34           HA       ASN  34 -12.024   6.663   3.898
  256    HB2  ASN  34           HB2      ASN  34 -12.167   8.782   5.091
  257    HB3  ASN  34           HB1      ASN  34 -13.682   7.903   5.264
  258   HD21  ASN  34          HD21      ASN  34 -10.608   8.562   6.895
  259   HD22  ASN  34          HD22      ASN  34 -11.254   8.473   8.512
  260    H    GLN  35           HN       GLN  35 -10.511   4.707   5.766
  261    HA   GLN  35           HA       GLN  35  -8.179   6.426   6.142
  262    HB2  GLN  35           HB2      GLN  35  -9.325   6.239   8.306
  263    HB3  GLN  35           HB1      GLN  35  -9.204   4.481   8.210
  264    HG2  GLN  35           HG2      GLN  35  -6.759   4.664   8.188
  265    HG3  GLN  35           HG1      GLN  35  -6.902   6.416   8.320
  266   HE21  GLN  35          HE21      GLN  35  -7.228   3.382   9.985
  267   HE22  GLN  35          HE22      GLN  35  -7.333   4.049  11.581
  268    H    LEU  36           HN       LEU  36  -6.307   5.603   5.654
  269    HA   LEU  36           HA       LEU  36  -5.979   2.697   5.516
  270    HB2  LEU  36           HB2      LEU  36  -6.066   3.709   3.243
  271    HB3  LEU  36           HB1      LEU  36  -4.727   4.751   3.673
  272    HG   LEU  36           HG       LEU  36  -4.248   2.676   2.220
  273   HD11  LEU  36          HD11      LEU  36  -2.623   3.163   4.705
  274   HD12  LEU  36          HD12      LEU  36  -2.487   4.030   3.174
  275   HD13  LEU  36          HD13      LEU  36  -2.069   2.319   3.258
  276   HD21  LEU  36          HD21      LEU  36  -5.507   1.085   3.612
  277   HD22  LEU  36          HD22      LEU  36  -4.351   1.335   4.918
  278   HD23  LEU  36          HD23      LEU  36  -3.824   0.611   3.400
  279    H    LYS  37           HN       LYS  37  -4.571   2.078   6.975
  280    HA   LYS  37           HA       LYS  37  -2.302   3.832   7.681
  281    HB2  LYS  37           HB2      LYS  37  -2.564   3.094  10.063
  282    HB3  LYS  37           HB1      LYS  37  -3.854   4.144   9.492
  283    HG2  LYS  37           HG2      LYS  37  -5.059   2.596  10.652
  284    HG3  LYS  37           HG1      LYS  37  -5.080   1.859   9.053
  285    HD2  LYS  37           HD2      LYS  37  -3.208   0.421   9.688
  286    HD3  LYS  37           HD1      LYS  37  -3.167   1.171  11.284
  287    HE2  LYS  37           HE2      LYS  37  -5.419   0.358  11.738
  288    HE3  LYS  37           HE1      LYS  37  -5.499  -0.356  10.129
  289    HZ1  LYS  37           HZ1      LYS  37  -3.665  -1.818  10.729
  290    HZ2  LYS  37           HZ2      LYS  37  -4.957  -2.007  11.802
  291    HZ3  LYS  37           HZ3      LYS  37  -3.591  -1.132  12.272
  292    H    ALA  38           HN       ALA  38  -0.417   2.676   8.073
  293    HA   ALA  38           HA       ALA  38  -0.423  -0.210   7.786
  294    HB1  ALA  38           HB1      ALA  38   0.792   1.561   5.664
  295    HB2  ALA  38           HB2      ALA  38  -0.648   0.560   5.474
  296    HB3  ALA  38           HB3      ALA  38   0.922  -0.196   5.747
  297    H    THR  39           HN       THR  39   1.503  -1.153   8.389
  298    HA   THR  39           HA       THR  39   3.542   0.692   9.430
  299    HB   THR  39           HB       THR  39   4.040  -0.995  11.168
  300    HG1  THR  39           HG1      THR  39   3.230  -2.837  10.065
  301   HG21  THR  39          HG21      THR  39   2.475   0.841  11.661
  302   HG22  THR  39          HG22      THR  39   2.066  -0.623  12.550
  303   HG23  THR  39          HG23      THR  39   1.134  -0.168  11.124
  304    H    SER  40           HN       SER  40   5.703   0.077   9.266
  305    HA   SER  40           HA       SER  40   6.204  -2.214   7.495
  306    HB2  SER  40           HB2      SER  40   8.233  -0.804   6.754
  307    HB3  SER  40           HB1      SER  40   6.634  -0.411   6.126
  308    HG   SER  40           HG       SER  40   8.081   0.907   8.179
  309    H    SER  41           HN       SER  41   7.177  -3.717   8.581
  310    HA   SER  41           HA       SER  41   8.959  -3.110  10.768
  311    HB2  SER  41           HB2      SER  41   8.155  -5.789   9.594
  312    HB3  SER  41           HB1      SER  41   8.984  -5.529  11.135
  313    HG   SER  41           HG       SER  41   6.308  -5.093  10.446
  314    H    ASN  42           HN       ASN  42  10.897  -4.886  10.741
  315    HA   ASN  42           HA       ASN  42  13.054  -5.043  10.124
  316    HB2  ASN  42           HB2      ASN  42  11.767  -5.159   7.403
  317    HB3  ASN  42           HB1      ASN  42  13.518  -5.208   7.595
  318   HD21  ASN  42          HD21      ASN  42  11.937  -7.269   6.491
  319   HD22  ASN  42          HD22      ASN  42  12.089  -8.660   7.513
  320    H    ALA  43           HN       ALA  43  12.102  -2.618  10.829
  321    HA   ALA  43           HA       ALA  43  12.807  -0.490  11.050
  322    HB1  ALA  43           HB1      ALA  43  14.987  -1.570  11.154
  323    HB2  ALA  43           HB2      ALA  43  15.079   0.037  10.432
  324    HB3  ALA  43           HB3      ALA  43  15.151  -1.398   9.408
  325    H    GLY  44           HN       GLY  44  11.282  -1.381   8.569
  326    HA2  GLY  44           HA2      GLY  44  10.173  -0.147   6.970
  327    HA3  GLY  44           HA1      GLY  44  11.051   1.264   7.534
  328    H    TYR  45           HN       TYR  45  12.889  -1.491   6.530
  329    HA   TYR  45           HA       TYR  45  14.135  -0.033   4.444
  330    HB2  TYR  45           HB2      TYR  45  14.233  -2.912   5.291
  331    HB3  TYR  45           HB1      TYR  45  15.046  -2.370   3.824
  332    HD1  TYR  45           HD1      TYR  45  15.642  -3.037   7.188
  333    HD2  TYR  45           HD2      TYR  45  16.397  -0.049   4.245
  334    HE1  TYR  45           HE1      TYR  45  17.551  -2.227   8.500
  335    HE2  TYR  45           HE2      TYR  45  18.310   0.757   5.552
  336    HH   TYR  45           HH       TYR  45  19.682  -0.962   8.083
  337    H    GLY  46           HN       GLY  46  14.208  -0.717   2.161
  338    HA2  GLY  46           HA2      GLY  46  11.473  -0.838   1.224
  339    HA3  GLY  46           HA1      GLY  46  12.902  -0.514   0.258
  340    H    ILE  47           HN       ILE  47  13.817  -2.152  -0.904
  341    HA   ILE  47           HA       ILE  47  12.417  -4.745  -0.794
  342    HB   ILE  47           HB       ILE  47  14.154  -3.760  -3.032
  343   HG12  ILE  47          HG12      ILE  47  11.156  -3.678  -3.089
  344   HG13  ILE  47          HG11      ILE  47  12.128  -2.281  -2.615
  345   HG21  ILE  47          HG21      ILE  47  12.959  -5.462  -4.343
  346   HG22  ILE  47          HG22      ILE  47  12.076  -5.934  -2.890
  347   HG23  ILE  47          HG23      ILE  47  13.823  -6.155  -2.970
  348   HD11  ILE  47          HD11      ILE  47  12.214  -3.725  -5.248
  349   HD12  ILE  47          HD12      ILE  47  13.297  -2.419  -4.780
  350   HD13  ILE  47          HD13      ILE  47  11.575  -2.111  -4.946
  351    H    SER  48           HN       SER  48  15.542  -3.520  -1.852
  352    HA   SER  48           HA       SER  48  17.140  -5.089  -0.218
  353    HB2  SER  48           HB2      SER  48  17.901  -6.766  -1.952
  354    HB3  SER  48           HB1      SER  48  16.265  -7.027  -1.333
  355    HG   SER  48           HG       SER  48  16.240  -7.186  -3.573
  356    H    TYR  49           HN       TYR  49  17.206  -4.480  -3.703
  357    HA   TYR  49           HA       TYR  49  19.132  -2.337  -3.333
  358    HB2  TYR  49           HB2      TYR  49  20.447  -4.484  -3.481
  359    HB3  TYR  49           HB1      TYR  49  19.832  -4.684  -5.110
  360    HD1  TYR  49           HD1      TYR  49  21.725  -2.248  -2.990
  361    HD2  TYR  49           HD2      TYR  49  21.008  -3.724  -6.934
  362    HE1  TYR  49           HE1      TYR  49  23.555  -0.869  -3.844
  363    HE2  TYR  49           HE2      TYR  49  22.846  -2.339  -7.780
  364    HH   TYR  49           HH       TYR  49  24.044  -0.234  -7.093
  365    H    GLU  50           HN       GLU  50  16.989  -4.165  -5.448
  366    HA   GLU  50           HA       GLU  50  17.309  -2.263  -7.617
  367    HB2  GLU  50           HB2      GLU  50  15.830  -3.738  -8.860
  368    HB3  GLU  50           HB1      GLU  50  17.093  -4.690  -8.085
  369    HG2  GLU  50           HG2      GLU  50  15.468  -5.204  -6.258
  370    HG3  GLU  50           HG1      GLU  50  14.225  -4.407  -7.225
  371    H    ASP  51           HN       ASP  51  15.024  -1.792  -8.705
  372    HA   ASP  51           HA       ASP  51  13.343  -0.612  -6.596
  373    HB2  ASP  51           HB2      ASP  51  12.998   1.341  -7.988
  374    HB3  ASP  51           HB1      ASP  51  14.730   1.088  -7.776
  375    H    LYS  52           HN       LYS  52  11.182  -0.819  -6.801
  376    HA   LYS  52           HA       LYS  52  10.159  -1.988  -9.284
  377    HB2  LYS  52           HB2      LYS  52   8.808  -2.132  -6.593
  378    HB3  LYS  52           HB1      LYS  52   8.352  -2.981  -8.061
  379    HG2  LYS  52           HG2      LYS  52  10.747  -3.457  -6.341
  380    HG3  LYS  52           HG1      LYS  52   9.369  -4.524  -6.565
  381    HD2  LYS  52           HD2      LYS  52  11.396  -3.753  -8.663
  382    HD3  LYS  52           HD1      LYS  52  11.294  -5.313  -7.840
  383    HE2  LYS  52           HE2      LYS  52   9.029  -5.626  -8.786
  384    HE3  LYS  52           HE1      LYS  52   9.212  -4.111  -9.663
  385    HZ1  LYS  52           HZ1      LYS  52  11.159  -5.101 -10.782
  386    HZ2  LYS  52           HZ2      LYS  52   9.714  -5.912 -11.116
  387    HZ3  LYS  52           HZ3      LYS  52  10.821  -6.576 -10.025
  388    H    ASN  53           HN       ASN  53   8.054  -1.292  -9.855
  389    HA   ASN  53           HA       ASN  53   7.749   1.574  -9.387
  390    HB2  ASN  53           HB2      ASN  53   8.003   1.037 -11.683
  391    HB3  ASN  53           HB1      ASN  53   6.870  -0.308 -11.560
  392   HD21  ASN  53          HD21      ASN  53   5.485   0.232 -13.006
  393   HD22  ASN  53          HD22      ASN  53   4.461   1.633 -12.957
  394    H    TRP  54           HN       TRP  54   6.414   2.010  -7.790
  395    HA   TRP  54           HA       TRP  54   4.160   0.214  -7.259
  396    HB2  TRP  54           HB2      TRP  54   6.161   1.405  -5.665
  397    HB3  TRP  54           HB1      TRP  54   4.619   2.149  -5.227
  398    HD1  TRP  54           HD1      TRP  54   6.480  -1.154  -5.053
  399    HE1  TRP  54           HE1      TRP  54   5.126  -2.747  -3.527
  400    HE3  TRP  54           HE3      TRP  54   2.335   1.659  -4.569
  401    HZ2  TRP  54           HZ2      TRP  54   2.532  -2.746  -2.289
  402    HZ3  TRP  54           HZ3      TRP  54   0.472   0.850  -3.255
  403    HH2  TRP  54           HH2      TRP  54   0.575  -1.311  -2.093
  404    H    GLY  55           HN       GLY  55   2.133   1.252  -6.367
  405    HA2  GLY  55           HA2      GLY  55   1.796   4.065  -6.598
  406    HA3  GLY  55           HA1      GLY  55   1.143   3.235  -7.976
  407    H    ILE  56           HN       ILE  56  -0.271   4.868  -6.152
  408    HA   ILE  56           HA       ILE  56  -2.221   2.862  -5.184
  409    HB   ILE  56           HB       ILE  56  -1.836   5.674  -4.124
  410   HG12  ILE  56          HG12      ILE  56  -1.352   4.423  -1.972
  411   HG13  ILE  56          HG11      ILE  56  -1.181   2.977  -2.959
  412   HG21  ILE  56          HG21      ILE  56  -4.169   4.981  -4.101
  413   HG22  ILE  56          HG22      ILE  56  -3.525   5.043  -2.460
  414   HG23  ILE  56          HG23      ILE  56  -3.733   3.489  -3.268
  415   HD11  ILE  56          HD11      ILE  56   0.490   5.469  -3.181
  416   HD12  ILE  56          HD12      ILE  56   0.689   3.999  -4.132
  417   HD13  ILE  56          HD13      ILE  56   0.973   3.971  -2.391
  418    H    PHE  57           HN       PHE  57  -4.149   2.870  -6.172
  419    HA   PHE  57           HA       PHE  57  -5.021   5.358  -7.498
  420    HB2  PHE  57           HB2      PHE  57  -5.765   2.592  -8.456
  421    HB3  PHE  57           HB1      PHE  57  -6.050   4.122  -9.264
  422    HD1  PHE  57           HD1      PHE  57  -4.287   5.247 -10.466
  423    HD2  PHE  57           HD2      PHE  57  -3.589   1.541  -8.497
  424    HE1  PHE  57           HE1      PHE  57  -2.190   4.978 -11.724
  425    HE2  PHE  57           HE2      PHE  57  -1.491   1.268  -9.746
  426    HZ   PHE  57           HZ       PHE  57  -0.791   2.986 -11.361
  427    H    VAL  58           HN       VAL  58  -6.782   6.174  -6.602
  428    HA   VAL  58           HA       VAL  58  -8.685   4.371  -5.251
  429    HB   VAL  58           HB       VAL  58  -8.500   7.387  -5.064
  430   HG11  VAL  58          HG11      VAL  58 -10.748   6.537  -4.653
  431   HG12  VAL  58          HG12      VAL  58 -10.023   7.138  -3.160
  432   HG13  VAL  58          HG13      VAL  58 -10.113   5.403  -3.461
  433   HG21  VAL  58          HG21      VAL  58  -6.545   6.360  -4.074
  434   HG22  VAL  58          HG22      VAL  58  -7.568   5.269  -3.136
  435   HG23  VAL  58          HG23      VAL  58  -7.600   7.002  -2.815
  436    H    ASN  59           HN       ASN  59 -10.328   3.777  -6.521
  437    HA   ASN  59           HA       ASN  59 -11.874   3.744  -8.194
  438    HB2  ASN  59           HB2      ASN  59 -11.865   6.761  -7.934
  439    HB3  ASN  59           HB1      ASN  59 -13.115   5.784  -8.691
  440   HD21  ASN  59          HD21      ASN  59 -13.341   7.675  -6.539
  441   HD22  ASN  59          HD22      ASN  59 -13.991   6.810  -5.191
  442    H    GLY  60           HN       GLY  60  -8.995   4.038  -8.767
  443    HA2  GLY  60           HA2      GLY  60  -7.835   3.969 -10.791
  444    HA3  GLY  60           HA1      GLY  60  -9.215   4.720 -11.582
  445    H    GLU  61           HN       GLU  61  -8.185   6.295  -8.723
  446    HA   GLU  61           HA       GLU  61  -6.894   8.381 -10.347
  447    HB2  GLU  61           HB2      GLU  61  -8.726   8.439  -8.095
  448    HB3  GLU  61           HB1      GLU  61  -7.288   9.407  -7.788
  449    HG2  GLU  61           HG2      GLU  61  -8.806  10.882  -8.720
  450    HG3  GLU  61           HG1      GLU  61  -7.721  10.474 -10.048
  451    H    LYS  62           HN       LYS  62  -4.800   8.750 -10.138
  452    HA   LYS  62           HA       LYS  62  -3.171   7.305  -8.295
  453    HB2  LYS  62           HB2      LYS  62  -2.587   9.618 -10.140
  454    HB3  LYS  62           HB1      LYS  62  -1.354   8.820  -9.165
  455    HG2  LYS  62           HG2      LYS  62  -2.039   6.672 -10.337
  456    HG3  LYS  62           HG1      LYS  62  -2.933   7.702 -11.462
  457    HD2  LYS  62           HD2      LYS  62   0.019   7.918 -10.867
  458    HD3  LYS  62           HD1      LYS  62  -0.674   7.127 -12.281
  459    HE2  LYS  62           HE2      LYS  62  -1.066  10.031 -11.574
  460    HE3  LYS  62           HE1      LYS  62   0.137   9.432 -12.711
  461    HZ1  LYS  62           HZ1      LYS  62  -1.668   8.511 -14.048
  462    HZ2  LYS  62           HZ2      LYS  62  -1.815  10.186 -13.875
  463    HZ3  LYS  62           HZ3      LYS  62  -2.805   9.155 -12.976
  464    H    VAL  63           HN       VAL  63  -3.344   7.793  -6.161
  465    HA   VAL  63           HA       VAL  63  -3.417  10.615  -5.406
  466    HB   VAL  63           HB       VAL  63  -3.878   9.922  -3.142
  467   HG11  VAL  63          HG11      VAL  63  -5.761  10.085  -4.669
  468   HG12  VAL  63          HG12      VAL  63  -6.032   8.813  -3.479
  469   HG13  VAL  63          HG13      VAL  63  -5.556   8.394  -5.124
  470   HG21  VAL  63          HG21      VAL  63  -2.490   7.940  -3.027
  471   HG22  VAL  63          HG22      VAL  63  -3.569   7.101  -4.142
  472   HG23  VAL  63          HG23      VAL  63  -4.143   7.565  -2.540
  473    H    TYR  64           HN       TYR  64  -1.321   7.810  -5.292
  474    HA   TYR  64           HA       TYR  64   0.942   9.544  -4.934
  475    HB2  TYR  64           HB2      TYR  64   0.121   9.097  -2.591
  476    HB3  TYR  64           HB1      TYR  64   0.466   7.391  -2.861
  477    HD1  TYR  64           HD1      TYR  64   2.656   6.547  -2.600
  478    HD2  TYR  64           HD2      TYR  64   2.021  10.750  -2.654
  479    HE1  TYR  64           HE1      TYR  64   4.969   6.899  -1.858
  480    HE2  TYR  64           HE2      TYR  64   4.339  11.115  -1.915
  481    HH   TYR  64           HH       TYR  64   6.684   8.671  -1.944
  482    H    THR  65           HN       THR  65   2.882   8.562  -5.558
  483    HA   THR  65           HA       THR  65   2.795   5.764  -6.443
  484    HB   THR  65           HB       THR  65   3.688   8.086  -8.182
  485    HG1  THR  65           HG1      THR  65   1.512   8.060  -8.317
  486   HG21  THR  65          HG21      THR  65   5.028   6.063  -8.555
  487   HG22  THR  65          HG22      THR  65   3.999   6.427  -9.941
  488   HG23  THR  65          HG23      THR  65   3.549   5.140  -8.823
  489    H    PHE  66           HN       PHE  66   4.976   4.787  -6.507
  490    HA   PHE  66           HA       PHE  66   7.275   6.370  -5.898
  491    HB2  PHE  66           HB2      PHE  66   7.691   5.624  -3.622
  492    HB3  PHE  66           HB1      PHE  66   6.152   6.471  -3.710
  493    HD1  PHE  66           HD1      PHE  66   7.832   3.383  -2.915
  494    HD2  PHE  66           HD2      PHE  66   4.029   5.157  -3.616
  495    HE1  PHE  66           HE1      PHE  66   6.746   1.467  -1.821
  496    HE2  PHE  66           HE2      PHE  66   2.934   3.244  -2.521
  497    HZ   PHE  66           HZ       PHE  66   4.292   1.400  -1.620
  498    H    ASN  67           HN       ASN  67   8.998   4.729  -4.802
  499    HA   ASN  67           HA       ASN  67   8.952   2.268  -6.425
  500    HB2  ASN  67           HB2      ASN  67  11.249   3.996  -5.500
  501    HB3  ASN  67           HB1      ASN  67  11.482   2.376  -6.152
  502   HD21  ASN  67          HD21      ASN  67  10.920   2.006  -8.360
  503   HD22  ASN  67          HD22      ASN  67  10.894   3.315  -9.486
  504    H    GLU  68           HN       GLU  68   9.441   0.325  -5.411
  505    HA   GLU  68           HA       GLU  68   8.648   0.189  -2.717
  506    HB2  GLU  68           HB2      GLU  68   8.270  -1.512  -4.564
  507    HB3  GLU  68           HB1      GLU  68   9.941  -2.018  -4.308
  508    HG2  GLU  68           HG2      GLU  68   9.500  -2.768  -2.175
  509    HG3  GLU  68           HG1      GLU  68   7.919  -1.989  -2.101
  510    H    LYS  69           HN       LYS  69  11.729   0.651  -4.103
  511    HA   LYS  69           HA       LYS  69  13.166  -0.581  -1.917
  512    HB2  LYS  69           HB2      LYS  69  15.182   0.182  -2.999
  513    HB3  LYS  69           HB1      LYS  69  14.127  -0.562  -4.192
  514    HG2  LYS  69           HG2      LYS  69  13.388   1.673  -4.893
  515    HG3  LYS  69           HG1      LYS  69  14.520   2.380  -3.743
  516    HD2  LYS  69           HD2      LYS  69  15.385   0.477  -5.907
  517    HD3  LYS  69           HD1      LYS  69  15.359   2.226  -6.130
  518    HE2  LYS  69           HE2      LYS  69  16.933   0.725  -4.038
  519    HE3  LYS  69           HE1      LYS  69  17.588   1.428  -5.514
  520    HZ1  LYS  69           HZ1      LYS  69  16.853   3.620  -4.697
  521    HZ2  LYS  69           HZ2      LYS  69  18.000   2.894  -3.688
  522    HZ3  LYS  69           HZ3      LYS  69  16.372   2.902  -3.240
  523    H    SER  70           HN       SER  70  11.516   2.272  -2.353
  524    HA   SER  70           HA       SER  70  13.148   3.975  -0.776
  525    HB2  SER  70           HB2      SER  70  10.151   4.034  -1.249
  526    HB3  SER  70           HB1      SER  70  11.101   5.348  -0.546
  527    HG   SER  70           HG       SER  70  12.359   4.950  -2.688
  528    H    THR  71           HN       THR  71  12.448   4.620   1.553
  529    HA   THR  71           HA       THR  71  12.238   2.165   3.001
  530    HB   THR  71           HB       THR  71  12.217   3.772   5.016
  531    HG1  THR  71           HG1      THR  71  13.401   5.795   3.732
  532   HG21  THR  71          HG21      THR  71  14.634   4.201   4.825
  533   HG22  THR  71          HG22      THR  71  14.562   3.801   3.108
  534   HG23  THR  71          HG23      THR  71  14.217   2.564   4.318
  535    H    VAL  72           HN       VAL  72  10.403   1.236   3.364
  536    HA   VAL  72           HA       VAL  72   7.992   2.271   2.474
  537    HB   VAL  72           HB       VAL  72   8.072   0.048   4.506
  538   HG11  VAL  72          HG11      VAL  72   6.254  -0.824   3.218
  539   HG12  VAL  72          HG12      VAL  72   6.476   0.407   1.975
  540   HG13  VAL  72          HG13      VAL  72   5.922   0.868   3.588
  541   HG21  VAL  72          HG21      VAL  72   8.548  -1.503   2.612
  542   HG22  VAL  72          HG22      VAL  72   9.910  -0.472   3.043
  543   HG23  VAL  72          HG23      VAL  72   8.943  -0.103   1.615
  544    H    GLY  73           HN       GLY  73   9.580   2.918   5.387
  545    HA2  GLY  73           HA2      GLY  73   7.167   3.292   6.971
  546    HA3  GLY  73           HA1      GLY  73   8.816   3.685   7.467
  547    H    ASN  74           HN       ASN  74   9.491   5.357   5.261
  548    HA   ASN  74           HA       ASN  74   8.136   7.755   6.062
  549    HB2  ASN  74           HB2      ASN  74  10.104   7.223   3.825
  550    HB3  ASN  74           HB1      ASN  74   9.449   8.816   4.188
  551   HD21  ASN  74          HD21      ASN  74  11.690   6.377   5.085
  552   HD22  ASN  74          HD22      ASN  74  12.443   7.251   6.386
  553    H    ILE  75           HN       ILE  75   7.975   5.479   3.443
  554    HA   ILE  75           HA       ILE  75   6.248   6.971   1.769
  555    HB   ILE  75           HB       ILE  75   6.625   3.981   1.938
  556   HG12  ILE  75          HG12      ILE  75   8.727   5.117   1.454
  557   HG13  ILE  75          HG11      ILE  75   8.141   4.290   0.011
  558   HG21  ILE  75          HG21      ILE  75   5.360   5.712  -0.167
  559   HG22  ILE  75          HG22      ILE  75   4.576   4.476   0.815
  560   HG23  ILE  75          HG23      ILE  75   5.773   4.016  -0.394
  561   HD11  ILE  75          HD11      ILE  75   7.938   7.237   0.584
  562   HD12  ILE  75          HD12      ILE  75   7.298   6.426  -0.846
  563   HD13  ILE  75          HD13      ILE  75   9.037   6.457  -0.554
  564    H    SER  76           HN       SER  76   5.580   4.201   3.931
  565    HA   SER  76           HA       SER  76   2.875   4.068   3.329
  566    HB2  SER  76           HB2      SER  76   2.644   2.691   5.374
  567    HB3  SER  76           HB1      SER  76   3.986   2.185   4.344
  568    HG   SER  76           HG       SER  76   5.399   2.857   5.802
  569    H    ASN  77           HN       ASN  77   4.355   5.422   6.226
  570    HA   ASN  77           HA       ASN  77   1.818   6.163   7.227
  571    HB2  ASN  77           HB2      ASN  77   4.570   6.444   8.185
  572    HB3  ASN  77           HB1      ASN  77   3.434   7.658   8.784
  573   HD21  ASN  77          HD21      ASN  77   1.090   6.049   8.791
  574   HD22  ASN  77          HD22      ASN  77   1.267   4.833  10.017
  575    H    ASP  78           HN       ASP  78   3.901   7.889   5.042
  576    HA   ASP  78           HA       ASP  78   2.609  10.409   5.367
  577    HB2  ASP  78           HB2      ASP  78   4.241   9.152   3.267
  578    HB3  ASP  78           HB1      ASP  78   3.064  10.311   2.677
  579    H    ILE  79           HN       ILE  79   2.021   7.636   3.263
  580    HA   ILE  79           HA       ILE  79  -0.390   8.413   2.102
  581    HB   ILE  79           HB       ILE  79   0.448   5.629   2.952
  582   HG12  ILE  79          HG12      ILE  79   0.744   7.004   0.270
  583   HG13  ILE  79          HG11      ILE  79   2.054   6.721   1.417
  584   HG21  ILE  79          HG21      ILE  79  -1.137   4.826   1.284
  585   HG22  ILE  79          HG22      ILE  79  -1.625   6.484   0.935
  586   HG23  ILE  79          HG23      ILE  79  -1.947   5.785   2.524
  587   HD11  ILE  79          HD11      ILE  79   0.417   4.591   0.056
  588   HD12  ILE  79          HD12      ILE  79   1.741   4.317   1.189
  589   HD13  ILE  79          HD13      ILE  79   2.060   5.071  -0.373
  590    H    ASN  80           HN       ASN  80   0.361   7.182   5.265
  591    HA   ASN  80           HA       ASN  80  -2.385   6.603   5.843
  592    HB2  ASN  80           HB2      ASN  80  -0.038   6.565   7.747
  593    HB3  ASN  80           HB1      ASN  80  -1.603   5.810   8.008
  594   HD21  ASN  80          HD21      ASN  80   1.126   4.662   7.935
  595   HD22  ASN  80          HD22      ASN  80   1.082   3.433   6.716
  596    H    LYS  81           HN       LYS  81  -0.202   9.238   6.358
  597    HA   LYS  81           HA       LYS  81  -1.724  10.660   8.256
  598    HB2  LYS  81           HB2      LYS  81  -0.045  11.671   5.945
  599    HB3  LYS  81           HB1      LYS  81  -0.716  12.702   7.204
  600    HG2  LYS  81           HG2      LYS  81   0.622  11.627   8.875
  601    HG3  LYS  81           HG1      LYS  81   1.190  10.430   7.710
  602    HD2  LYS  81           HD2      LYS  81   2.238  12.257   6.408
  603    HD3  LYS  81           HD1      LYS  81   1.740  13.397   7.661
  604    HE2  LYS  81           HE2      LYS  81   3.534  11.010   8.100
  605    HE3  LYS  81           HE1      LYS  81   4.092  12.671   7.898
  606    HZ1  LYS  81           HZ1      LYS  81   2.301  11.721  10.068
  607    HZ2  LYS  81           HZ2      LYS  81   2.902  13.293   9.891
  608    HZ3  LYS  81           HZ3      LYS  81   3.956  12.018  10.230
  609    H    LEU  82           HN       LEU  82  -1.901  10.294   4.794
  610    HA   LEU  82           HA       LEU  82  -3.749  12.235   4.103
  611    HB2  LEU  82           HB2      LEU  82  -3.822   9.514   2.846
  612    HB3  LEU  82           HB1      LEU  82  -4.024  11.085   2.087
  613    HG   LEU  82           HG       LEU  82  -1.413   9.891   3.087
  614   HD11  LEU  82          HD11      LEU  82  -2.248   8.876   1.026
  615   HD12  LEU  82          HD12      LEU  82  -0.839   9.883   0.694
  616   HD13  LEU  82          HD13      LEU  82  -2.453  10.467   0.296
  617   HD21  LEU  82          HD21      LEU  82  -1.487  12.340   3.369
  618   HD22  LEU  82          HD22      LEU  82  -1.956  12.529   1.680
  619   HD23  LEU  82          HD23      LEU  82  -0.370  11.871   2.087
  620    H    ASN  83           HN       ASN  83  -4.245   9.149   5.661
  621    HA   ASN  83           HA       ASN  83  -6.068   7.744   5.811
  622    HB2  ASN  83           HB2      ASN  83  -7.165  10.401   6.718
  623    HB3  ASN  83           HB1      ASN  83  -8.062   8.894   6.870
  624   HD21  ASN  83          HD21      ASN  83  -5.504   7.389   7.380
  625   HD22  ASN  83          HD22      ASN  83  -5.112   7.754   9.028
  626    H    ILE  84           HN       ILE  84  -6.343   7.104   3.734
  627    HA   ILE  84           HA       ILE  84  -7.297   8.723   1.670
  628    HB   ILE  84           HB       ILE  84  -7.397   5.718   1.698
  629   HG12  ILE  84          HG12      ILE  84  -5.095   7.588   1.087
  630   HG13  ILE  84          HG11      ILE  84  -5.209   6.484   2.464
  631   HG21  ILE  84          HG21      ILE  84  -8.514   6.801  -0.186
  632   HG22  ILE  84          HG22      ILE  84  -7.036   6.001  -0.722
  633   HG23  ILE  84          HG23      ILE  84  -7.065   7.751  -0.515
  634   HD11  ILE  84          HD11      ILE  84  -5.175   4.579   0.939
  635   HD12  ILE  84          HD12      ILE  84  -3.752   5.600   0.719
  636   HD13  ILE  84          HD13      ILE  84  -5.081   5.677  -0.439
  637    H    LYS  85           HN       LYS  85  -9.175   9.480   1.400
  638    HA   LYS  85           HA       LYS  85 -11.525   8.367   2.664
  639    HB2  LYS  85           HB2      LYS  85 -12.619  10.372   1.624
  640    HB3  LYS  85           HB1      LYS  85 -11.329  10.732   2.777
  641    HG2  LYS  85           HG2      LYS  85  -9.984  10.583   0.351
  642    HG3  LYS  85           HG1      LYS  85 -11.520  11.351  -0.066
  643    HD2  LYS  85           HD2      LYS  85 -10.033  13.109   0.443
  644    HD3  LYS  85           HD1      LYS  85 -11.099  12.958   1.838
  645    HE2  LYS  85           HE2      LYS  85  -8.456  11.540   1.771
  646    HE3  LYS  85           HE1      LYS  85  -8.547  13.244   2.207
  647    HZ1  LYS  85           HZ1      LYS  85  -9.888  10.986   3.592
  648    HZ2  LYS  85           HZ2      LYS  85 -10.133  12.614   3.971
  649    HZ3  LYS  85           HZ3      LYS  85  -8.607  11.918   4.175
  650    H    GLY  86           HN       GLY  86 -11.175   6.395   1.159
  651    HA2  GLY  86           HA2      GLY  86 -12.828   6.863  -1.214
  652    HA3  GLY  86           HA1      GLY  86 -11.249   6.125  -1.407
  653    HA   PRO  87           HA       PRO  87 -14.634   3.044  -0.078
  654    HB2  PRO  87           HB2      PRO  87 -15.758   2.226  -2.359
  655    HB3  PRO  87           HB1      PRO  87 -16.275   3.727  -1.571
  656    HG2  PRO  87           HG2      PRO  87 -14.394   3.342  -3.876
  657    HG3  PRO  87           HG1      PRO  87 -15.724   4.510  -3.709
  658    HD2  PRO  87           HD2      PRO  87 -13.101   5.133  -3.247
  659    HD3  PRO  87           HD1      PRO  87 -14.455   5.948  -2.434
  660    H    TYR  88           HN       TYR  88 -13.068   2.576  -3.269
  661    HA   TYR  88           HA       TYR  88 -11.866   0.152  -2.181
  662    HB2  TYR  88           HB2      TYR  88 -12.006  -0.841  -4.486
  663    HB3  TYR  88           HB1      TYR  88 -13.553  -0.652  -3.663
  664    HD1  TYR  88           HD1      TYR  88 -11.471   0.426  -6.463
  665    HD2  TYR  88           HD2      TYR  88 -15.175   1.013  -4.458
  666    HE1  TYR  88           HE1      TYR  88 -12.338   1.620  -8.428
  667    HE2  TYR  88           HE2      TYR  88 -16.051   2.216  -6.416
  668    HH   TYR  88           HH       TYR  88 -15.222   3.438  -8.355
  669    H    ILE  89           HN       ILE  89  -9.720  -0.122  -2.582
  670    HA   ILE  89           HA       ILE  89  -8.438   2.096  -4.015
  671    HB   ILE  89           HB       ILE  89  -7.665   1.099  -1.273
  672   HG12  ILE  89          HG12      ILE  89  -8.863   3.721  -2.172
  673   HG13  ILE  89          HG11      ILE  89  -9.732   2.443  -1.323
  674   HG21  ILE  89          HG21      ILE  89  -6.502   3.325  -2.949
  675   HG22  ILE  89          HG22      ILE  89  -5.724   1.783  -2.588
  676   HG23  ILE  89          HG23      ILE  89  -6.043   2.934  -1.291
  677   HD11  ILE  89          HD11      ILE  89  -9.091   4.272   0.164
  678   HD12  ILE  89          HD12      ILE  89  -7.394   3.978  -0.214
  679   HD13  ILE  89          HD13      ILE  89  -8.337   2.748   0.628
  680    H    GLU  90           HN       GLU  90  -6.859   1.555  -5.290
  681    HA   GLU  90           HA       GLU  90  -5.782  -1.158  -5.222
  682    HB2  GLU  90           HB2      GLU  90  -5.360   1.106  -7.170
  683    HB3  GLU  90           HB1      GLU  90  -4.755  -0.533  -7.365
  684    HG2  GLU  90           HG2      GLU  90  -7.676   0.094  -7.094
  685    HG3  GLU  90           HG1      GLU  90  -6.844   0.090  -8.655
  686    H    ILE  91           HN       ILE  91  -4.341  -1.122  -3.493
  687    HA   ILE  91           HA       ILE  91  -2.106   0.731  -3.860
  688    HB   ILE  91           HB       ILE  91  -3.333   0.730  -1.624
  689   HG12  ILE  91          HG12      ILE  91  -0.471   0.020  -1.177
  690   HG13  ILE  91          HG11      ILE  91  -0.872   1.426  -2.152
  691   HG21  ILE  91          HG21      ILE  91  -2.809  -0.966  -0.001
  692   HG22  ILE  91          HG22      ILE  91  -1.846  -1.848  -1.190
  693   HG23  ILE  91          HG23      ILE  91  -3.595  -1.699  -1.400
  694   HD11  ILE  91          HD11      ILE  91  -2.097   2.392  -0.303
  695   HD12  ILE  91          HD12      ILE  91  -0.445   2.007   0.179
  696   HD13  ILE  91          HD13      ILE  91  -1.774   0.960   0.675
  697    H    LYS  92           HN       LYS  92  -0.795  -0.197  -5.254
  698    HA   LYS  92           HA       LYS  92   0.295  -2.830  -4.876
  699    HB2  LYS  92           HB2      LYS  92  -0.683  -3.612  -7.117
  700    HB3  LYS  92           HB1      LYS  92  -1.784  -3.588  -5.739
  701    HG2  LYS  92           HG2      LYS  92  -3.133  -2.527  -7.200
  702    HG3  LYS  92           HG1      LYS  92  -2.207  -1.117  -6.686
  703    HD2  LYS  92           HD2      LYS  92  -2.168  -0.956  -9.000
  704    HD3  LYS  92           HD1      LYS  92  -0.627  -1.733  -8.630
  705    HE2  LYS  92           HE2      LYS  92  -1.738  -2.831 -10.510
  706    HE3  LYS  92           HE1      LYS  92  -1.586  -3.918  -9.126
  707    HZ1  LYS  92           HZ1      LYS  92  -3.770  -4.107 -10.085
  708    HZ2  LYS  92           HZ2      LYS  92  -4.031  -2.443  -9.945
  709    HZ3  LYS  92           HZ3      LYS  92  -3.906  -3.398  -8.556
  710    H    GLN  93           HN       GLN  93   1.540  -3.406  -7.071
  711    HA   GLN  93           HA       GLN  93   2.678  -0.861  -7.961
  712    HB2  GLN  93           HB2      GLN  93   4.573  -2.498  -8.792
  713    HB3  GLN  93           HB1      GLN  93   4.526  -1.838  -7.166
  714    HG2  GLN  93           HG2      GLN  93   3.427  -3.941  -6.422
  715    HG3  GLN  93           HG1      GLN  93   3.648  -4.579  -8.055
  716   HE21  GLN  93          HE21      GLN  93   5.993  -2.470  -6.610
  717   HE22  GLN  93          HE22      GLN  93   7.205  -3.673  -6.317
  718    H    ILE  94           HN       ILE  94   3.702  -0.984 -10.171
  719    HA   ILE  94           HA       ILE  94   1.599  -1.929 -11.981
  720    HB   ILE  94           HB       ILE  94   1.969   0.491 -12.989
  721   HG12  ILE  94          HG12      ILE  94   2.708   0.731 -10.065
  722   HG13  ILE  94          HG11      ILE  94   3.681   1.207 -11.453
  723   HG21  ILE  94          HG21      ILE  94  -0.158  -0.467 -12.196
  724   HG22  ILE  94          HG22      ILE  94   0.012   1.235 -11.767
  725   HG23  ILE  94          HG23      ILE  94   0.271  -0.009 -10.546
  726   HD11  ILE  94          HD11      ILE  94   2.760   3.125 -10.311
  727   HD12  ILE  94          HD12      ILE  94   1.128   2.503 -10.551
  728   HD13  ILE  94          HD13      ILE  94   2.097   2.992 -11.942
  Start of MODEL   14
    1    H    ASP   1           HT1      ASP   1 -17.618  -2.732 -10.345
    2    HA   ASP   1           HA       ASP   1 -19.411  -2.438  -8.790
    3    HB2  ASP   1           HB2      ASP   1 -21.114  -3.417 -11.092
    4    HB3  ASP   1           HB1      ASP   1 -21.676  -3.268  -9.433
    5    H    ASN   2           HN       ASN   2 -18.030  -4.009  -7.860
    6    HA   ASN   2           HA       ASN   2 -19.164  -6.676  -8.072
    7    HB2  ASN   2           HB2      ASN   2 -16.962  -7.779  -8.213
    8    HB3  ASN   2           HB1      ASN   2 -17.277  -6.775  -9.622
    9   HD21  ASN   2          HD21      ASN   2 -16.020  -4.987  -9.997
   10   HD22  ASN   2          HD22      ASN   2 -14.573  -4.648  -9.107
   11    H    GLN   3           HN       GLN   3 -17.008  -4.495  -6.304
   12    HA   GLN   3           HA       GLN   3 -17.267  -6.153  -3.929
   13    HB2  GLN   3           HB2      GLN   3 -15.919  -3.500  -4.401
   14    HB3  GLN   3           HB1      GLN   3 -16.031  -4.264  -2.829
   15    HG2  GLN   3           HG2      GLN   3 -14.561  -5.278  -5.248
   16    HG3  GLN   3           HG1      GLN   3 -13.875  -4.670  -3.744
   17   HE21  GLN   3          HE21      GLN   3 -12.705  -6.520  -3.374
   18   HE22  GLN   3          HE22      GLN   3 -13.445  -8.007  -2.890
   19    H    LYS   4           HN       LYS   4 -19.370  -4.569  -5.433
   20    HA   LYS   4           HA       LYS   4 -20.394  -2.418  -4.131
   21    HB2  LYS   4           HB2      LYS   4 -21.285  -3.260  -6.226
   22    HB3  LYS   4           HB1      LYS   4 -21.887  -4.700  -5.422
   23    HG2  LYS   4           HG2      LYS   4 -23.393  -3.298  -4.067
   24    HG3  LYS   4           HG1      LYS   4 -22.824  -1.877  -4.942
   25    HD2  LYS   4           HD2      LYS   4 -24.131  -4.259  -6.242
   26    HD3  LYS   4           HD1      LYS   4 -24.989  -2.796  -5.761
   27    HE2  LYS   4           HE2      LYS   4 -23.496  -1.486  -7.233
   28    HE3  LYS   4           HE1      LYS   4 -22.749  -2.992  -7.763
   29    HZ1  LYS   4           HZ1      LYS   4 -24.862  -3.716  -8.636
   30    HZ2  LYS   4           HZ2      LYS   4 -24.455  -2.219  -9.305
   31    HZ3  LYS   4           HZ3      LYS   4 -25.618  -2.309  -8.081
   32    H    ALA   5           HN       ALA   5 -21.454  -5.777  -3.498
   33    HA   ALA   5           HA       ALA   5 -22.804  -4.895  -1.085
   34    HB1  ALA   5           HB1      ALA   5 -23.860  -6.551  -2.559
   35    HB2  ALA   5           HB2      ALA   5 -23.616  -7.179  -0.928
   36    HB3  ALA   5           HB3      ALA   5 -22.536  -7.670  -2.232
   37    H    LEU   6           HN       LEU   6 -19.720  -5.823  -1.886
   38    HA   LEU   6           HA       LEU   6 -19.160  -7.231   0.597
   39    HB2  LEU   6           HB2      LEU   6 -17.442  -6.577  -1.797
   40    HB3  LEU   6           HB1      LEU   6 -16.824  -7.361  -0.354
   41    HG   LEU   6           HG       LEU   6 -17.177  -9.068  -1.950
   42   HD11  LEU   6          HD11      LEU   6 -18.840 -10.490  -0.910
   43   HD12  LEU   6          HD12      LEU   6 -19.541  -9.098  -0.087
   44   HD13  LEU   6          HD13      LEU   6 -17.905  -9.625   0.308
   45   HD21  LEU   6          HD21      LEU   6 -19.950  -7.965  -2.364
   46   HD22  LEU   6          HD22      LEU   6 -19.324  -9.451  -3.077
   47   HD23  LEU   6          HD23      LEU   6 -18.610  -7.898  -3.509
   48    H    GLU   7           HN       GLU   7 -16.654  -6.443   1.243
   49    HA   GLU   7           HA       GLU   7 -17.211  -3.848   2.401
   50    HB2  GLU   7           HB2      GLU   7 -15.121  -5.942   2.926
   51    HB3  GLU   7           HB1      GLU   7 -15.015  -4.342   3.641
   52    HG2  GLU   7           HG2      GLU   7 -16.000  -5.833   5.225
   53    HG3  GLU   7           HG1      GLU   7 -17.227  -4.695   4.679
   54    H    GLU   8           HN       GLU   8 -15.501  -4.992  -0.285
   55    HA   GLU   8           HA       GLU   8 -14.282  -3.936  -1.880
   56    HB2  GLU   8           HB2      GLU   8 -14.665  -1.472  -0.168
   57    HB3  GLU   8           HB1      GLU   8 -14.023  -1.481  -1.802
   58    HG2  GLU   8           HG2      GLU   8 -16.115  -2.252  -2.682
   59    HG3  GLU   8           HG1      GLU   8 -16.770  -2.454  -1.059
   60    H    GLN   9           HN       GLN   9 -13.296  -4.753   0.985
   61    HA   GLN   9           HA       GLN   9 -10.561  -3.699   0.717
   62    HB2  GLN   9           HB2      GLN   9 -12.091  -4.366   3.236
   63    HB3  GLN   9           HB1      GLN   9 -10.408  -3.859   3.179
   64    HG2  GLN   9           HG2      GLN   9 -10.929  -1.692   2.670
   65    HG3  GLN   9           HG1      GLN   9 -12.459  -2.125   1.910
   66   HE21  GLN   9          HE21      GLN   9 -14.267  -2.432   3.155
   67   HE22  GLN   9          HE22      GLN   9 -14.354  -1.922   4.814
   68    H    MET  10           HN       MET  10 -11.859  -6.213  -0.288
   69    HA   MET  10           HA       MET  10 -11.197  -8.348   1.487
   70    HB2  MET  10           HB2      MET  10 -12.067  -8.369  -1.402
   71    HB3  MET  10           HB1      MET  10 -11.919  -9.801  -0.393
   72    HG2  MET  10           HG2      MET  10 -13.640  -8.993   1.080
   73    HG3  MET  10           HG1      MET  10 -13.743  -7.481   0.181
   74    HE1  MET  10           HE1      MET  10 -15.047 -11.594  -1.464
   75    HE2  MET  10           HE2      MET  10 -14.479 -11.329   0.182
   76    HE3  MET  10           HE3      MET  10 -13.358 -11.180  -1.169
   77    H    ASN  11           HN       ASN  11 -10.388 -10.068  -0.915
   78    HA   ASN  11           HA       ASN  11  -7.743 -10.361  -0.071
   79    HB2  ASN  11           HB2      ASN  11  -9.192 -11.459  -2.471
   80    HB3  ASN  11           HB1      ASN  11  -7.537 -11.906  -2.068
   81   HD21  ASN  11          HD21      ASN  11  -9.917 -13.567  -2.185
   82   HD22  ASN  11          HD22      ASN  11 -10.098 -14.266  -0.613
   83    H    SER  12           HN       SER  12  -9.032  -8.227  -2.386
   84    HA   SER  12           HA       SER  12  -7.121  -7.884  -4.292
   85    HB2  SER  12           HB2      SER  12  -9.216  -6.570  -4.136
   86    HB3  SER  12           HB1      SER  12  -8.519  -5.650  -2.798
   87    HG   SER  12           HG       SER  12  -7.388  -4.517  -4.171
   88    H    ILE  13           HN       ILE  13  -7.045  -6.394  -1.032
   89    HA   ILE  13           HA       ILE  13  -4.303  -5.573  -1.558
   90    HB   ILE  13           HB       ILE  13  -4.431  -4.531   0.752
   91   HG12  ILE  13          HG12      ILE  13  -6.966  -3.934   1.219
   92   HG13  ILE  13          HG11      ILE  13  -7.245  -5.487   0.443
   93   HG21  ILE  13          HG21      ILE  13  -4.581  -3.313  -1.375
   94   HG22  ILE  13          HG22      ILE  13  -5.519  -2.563  -0.085
   95   HG23  ILE  13          HG23      ILE  13  -6.335  -3.501  -1.336
   96   HD11  ILE  13          HD11      ILE  13  -5.545  -5.003   2.876
   97   HD12  ILE  13          HD12      ILE  13  -5.806  -6.563   2.096
   98   HD13  ILE  13          HD13      ILE  13  -7.157  -5.716   2.849
   99    H    ASN  14           HN       ASN  14  -5.967  -8.094   0.109
  100    HA   ASN  14           HA       ASN  14  -3.989  -8.781   2.008
  101    HB2  ASN  14           HB2      ASN  14  -6.001 -10.455   0.563
  102    HB3  ASN  14           HB1      ASN  14  -4.932 -11.111   1.779
  103   HD21  ASN  14          HD21      ASN  14  -6.678 -11.710   3.062
  104   HD22  ASN  14          HD22      ASN  14  -7.583 -10.549   3.972
  105    H    SER  15           HN       SER  15  -4.569  -9.930  -1.297
  106    HA   SER  15           HA       SER  15  -2.437 -11.704  -1.509
  107    HB2  SER  15           HB2      SER  15  -4.208 -11.485  -3.218
  108    HB3  SER  15           HB1      SER  15  -3.584  -9.896  -3.658
  109    HG   SER  15           HG       SER  15  -2.628 -12.419  -4.270
  110    H    VAL  16           HN       VAL  16  -2.595  -8.234  -2.028
  111    HA   VAL  16           HA       VAL  16   0.124  -7.881  -2.714
  112    HB   VAL  16           HB       VAL  16  -1.832  -5.917  -1.502
  113   HG11  VAL  16          HG11      VAL  16  -0.371  -4.179  -2.360
  114   HG12  VAL  16          HG12      VAL  16   0.751  -5.394  -2.971
  115   HG13  VAL  16          HG13      VAL  16   0.506  -5.213  -1.234
  116   HG21  VAL  16          HG21      VAL  16  -2.618  -6.824  -3.612
  117   HG22  VAL  16          HG22      VAL  16  -1.073  -6.442  -4.372
  118   HG23  VAL  16          HG23      VAL  16  -2.126  -5.143  -3.813
  119    H    ASN  17           HN       ASN  17  -1.632  -8.022   0.362
  120    HA   ASN  17           HA       ASN  17   0.439  -6.950   1.985
  121    HB2  ASN  17           HB2      ASN  17  -2.009  -8.555   2.461
  122    HB3  ASN  17           HB1      ASN  17  -0.765  -8.662   3.698
  123   HD21  ASN  17          HD21      ASN  17  -3.041  -6.579   2.091
  124   HD22  ASN  17          HD22      ASN  17  -2.992  -5.301   3.266
  125    H    ASP  18           HN       ASP  18  -0.306 -10.199   0.880
  126    HA   ASP  18           HA       ASP  18   1.824 -11.481   2.276
  127    HB2  ASP  18           HB2      ASP  18   0.227 -12.348  -0.140
  128    HB3  ASP  18           HB1      ASP  18   1.377 -13.378   0.709
  129    H    LYS  19           HN       LYS  19   1.573  -9.754  -0.713
  130    HA   LYS  19           HA       LYS  19   3.947 -10.907  -1.888
  131    HB2  LYS  19           HB2      LYS  19   2.222  -8.560  -2.681
  132    HB3  LYS  19           HB1      LYS  19   3.637  -9.068  -3.590
  133    HG2  LYS  19           HG2      LYS  19   1.125 -10.659  -3.124
  134    HG3  LYS  19           HG1      LYS  19   1.621  -9.883  -4.630
  135    HD2  LYS  19           HD2      LYS  19   2.397 -11.942  -5.113
  136    HD3  LYS  19           HD1      LYS  19   3.781 -11.428  -4.149
  137    HE2  LYS  19           HE2      LYS  19   3.047 -13.639  -3.460
  138    HE3  LYS  19           HE1      LYS  19   2.771 -12.473  -2.168
  139    HZ1  LYS  19           HZ1      LYS  19   0.883 -13.954  -2.451
  140    HZ2  LYS  19           HZ2      LYS  19   0.710 -13.468  -4.060
  141    HZ3  LYS  19           HZ3      LYS  19   0.444 -12.361  -2.810
  142    H    LEU  20           HN       LEU  20   3.034  -8.063  -0.114
  143    HA   LEU  20           HA       LEU  20   5.573  -6.768  -0.439
  144    HB2  LEU  20           HB2      LEU  20   3.183  -6.216   1.303
  145    HB3  LEU  20           HB1      LEU  20   4.602  -5.179   1.247
  146    HG   LEU  20           HG       LEU  20   2.789  -5.794  -1.096
  147   HD11  LEU  20          HD11      LEU  20   3.119  -3.204   0.381
  148   HD12  LEU  20          HD12      LEU  20   1.815  -4.343   0.696
  149   HD13  LEU  20          HD13      LEU  20   1.959  -3.580  -0.889
  150   HD21  LEU  20          HD21      LEU  20   5.016  -5.411  -1.878
  151   HD22  LEU  20          HD22      LEU  20   5.205  -4.016  -0.819
  152   HD23  LEU  20          HD23      LEU  20   4.079  -3.949  -2.172
  153    H    ASN  21           HN       ASN  21   3.942  -8.610   2.105
  154    HA   ASN  21           HA       ASN  21   6.230  -8.483   3.854
  155    HB2  ASN  21           HB2      ASN  21   3.612  -9.965   3.928
  156    HB3  ASN  21           HB1      ASN  21   4.906 -10.371   5.055
  157   HD21  ASN  21          HD21      ASN  21   2.573  -7.947   4.102
  158   HD22  ASN  21          HD22      ASN  21   2.739  -6.964   5.522
  159    H    LYS  22           HN       LYS  22   7.727  -9.151   2.179
  160    HA   LYS  22           HA       LYS  22   7.602 -12.010   1.499
  161    HB2  LYS  22           HB2      LYS  22   9.094 -11.243  -0.461
  162    HB3  LYS  22           HB1      LYS  22   7.372 -10.884  -0.515
  163    HG2  LYS  22           HG2      LYS  22   8.568  -8.961  -1.273
  164    HG3  LYS  22           HG1      LYS  22   7.885  -8.590   0.308
  165    HD2  LYS  22           HD2      LYS  22  10.026  -8.898   1.363
  166    HD3  LYS  22           HD1      LYS  22  10.733  -9.473  -0.146
  167    HE2  LYS  22           HE2      LYS  22   9.740  -6.675   0.461
  168    HE3  LYS  22           HE1      LYS  22  11.406  -7.199   0.216
  169    HZ1  LYS  22           HZ1      LYS  22   9.260  -7.156  -1.828
  170    HZ2  LYS  22           HZ2      LYS  22  10.765  -7.886  -2.066
  171    HZ3  LYS  22           HZ3      LYS  22  10.669  -6.223  -1.798
  172    H    GLY  23           HN       GLY  23   9.414  -9.760   3.243
  173    HA2  GLY  23           HA2      GLY  23  11.329 -11.135   4.396
  174    HA3  GLY  23           HA1      GLY  23  11.980 -11.088   2.756
  175    H    LYS  24           HN       LYS  24  12.291  -8.931   1.790
  176    HA   LYS  24           HA       LYS  24  13.349  -6.989   3.596
  177    HB2  LYS  24           HB2      LYS  24  13.371  -7.403   0.774
  178    HB3  LYS  24           HB1      LYS  24  12.757  -5.769   1.067
  179    HG2  LYS  24           HG2      LYS  24  14.731  -5.238   2.354
  180    HG3  LYS  24           HG1      LYS  24  15.343  -6.881   2.165
  181    HD2  LYS  24           HD2      LYS  24  15.092  -6.380  -0.368
  182    HD3  LYS  24           HD1      LYS  24  15.085  -4.697   0.144
  183    HE2  LYS  24           HE2      LYS  24  17.337  -5.346  -0.436
  184    HE3  LYS  24           HE1      LYS  24  17.230  -5.061   1.300
  185    HZ1  LYS  24           HZ1      LYS  24  17.141  -7.727  -0.001
  186    HZ2  LYS  24           HZ2      LYS  24  17.107  -7.437   1.663
  187    HZ3  LYS  24           HZ3      LYS  24  18.491  -7.066   0.767
  188    H    GLY  25           HN       GLY  25  12.340  -4.630   2.304
  189    HA2  GLY  25           HA2      GLY  25  10.545  -3.800   4.155
  190    HA3  GLY  25           HA1      GLY  25  10.642  -3.102   2.565
  191    H    LYS  26           HN       LYS  26   8.521  -3.891   4.659
  192    HA   LYS  26           HA       LYS  26   6.648  -5.133   2.755
  193    HB2  LYS  26           HB2      LYS  26   5.722  -6.411   4.704
  194    HB3  LYS  26           HB1      LYS  26   7.353  -6.882   4.232
  195    HG2  LYS  26           HG2      LYS  26   7.974  -5.060   6.075
  196    HG3  LYS  26           HG1      LYS  26   6.398  -5.553   6.702
  197    HD2  LYS  26           HD2      LYS  26   8.140  -6.898   7.715
  198    HD3  LYS  26           HD1      LYS  26   7.162  -7.908   6.648
  199    HE2  LYS  26           HE2      LYS  26   8.822  -7.960   4.999
  200    HE3  LYS  26           HE1      LYS  26   9.702  -6.600   5.704
  201    HZ1  LYS  26           HZ1      LYS  26  10.844  -8.651   6.170
  202    HZ2  LYS  26           HZ2      LYS  26   9.448  -9.345   6.832
  203    HZ3  LYS  26           HZ3      LYS  26  10.205  -8.057   7.619
  204    H    LEU  27           HN       LEU  27   4.559  -4.369   2.822
  205    HA   LEU  27           HA       LEU  27   3.991  -2.251   4.788
  206    HB2  LEU  27           HB2      LEU  27   2.818  -2.488   2.003
  207    HB3  LEU  27           HB1      LEU  27   2.478  -1.224   3.170
  208    HG   LEU  27           HG       LEU  27   5.003  -0.686   3.003
  209   HD11  LEU  27          HD11      LEU  27   4.654  -2.073   0.356
  210   HD12  LEU  27          HD12      LEU  27   5.527  -2.767   1.721
  211   HD13  LEU  27          HD13      LEU  27   6.098  -1.276   0.976
  212   HD21  LEU  27          HD21      LEU  27   4.585   0.783   1.101
  213   HD22  LEU  27          HD22      LEU  27   3.207   0.762   2.202
  214   HD23  LEU  27          HD23      LEU  27   3.143  -0.147   0.692
  215    H    SER  28           HN       SER  28   2.406  -2.710   6.153
  216    HA   SER  28           HA       SER  28   0.564  -4.899   5.539
  217    HB2  SER  28           HB2      SER  28   0.940  -3.291   8.087
  218    HB3  SER  28           HB1      SER  28  -0.070  -4.731   7.910
  219    HG   SER  28           HG       SER  28   1.670  -5.802   8.377
  220    H    LEU  29           HN       LEU  29  -1.088  -4.215   4.288
  221    HA   LEU  29           HA       LEU  29  -2.049  -1.459   4.496
  222    HB2  LEU  29           HB2      LEU  29  -2.948  -3.508   2.497
  223    HB3  LEU  29           HB1      LEU  29  -2.976  -1.758   2.353
  224    HG   LEU  29           HG       LEU  29  -0.482  -3.460   2.346
  225   HD11  LEU  29          HD11      LEU  29  -1.945  -2.089   0.102
  226   HD12  LEU  29          HD12      LEU  29  -1.790  -3.828   0.348
  227   HD13  LEU  29          HD13      LEU  29  -0.366  -2.859  -0.033
  228   HD21  LEU  29          HD21      LEU  29   0.613  -1.376   1.599
  229   HD22  LEU  29          HD22      LEU  29  -0.030  -1.267   3.237
  230   HD23  LEU  29          HD23      LEU  29  -0.891  -0.507   1.901
  231    H    SER  30           HN       SER  30  -3.882  -0.886   5.449
  232    HA   SER  30           HA       SER  30  -6.112  -2.707   5.301
  233    HB2  SER  30           HB2      SER  30  -5.200  -1.633   7.981
  234    HB3  SER  30           HB1      SER  30  -6.612  -2.651   7.691
  235    HG   SER  30           HG       SER  30  -4.699  -4.004   6.644
  236    H    MET  31           HN       MET  31  -8.124  -1.685   5.367
  237    HA   MET  31           HA       MET  31  -8.037   1.259   5.384
  238    HB2  MET  31           HB2      MET  31 -10.172  -0.573   4.275
  239    HB3  MET  31           HB1      MET  31 -10.182   1.178   4.191
  240    HG2  MET  31           HG2      MET  31  -9.512   0.513   2.082
  241    HG3  MET  31           HG1      MET  31  -8.005   0.946   2.885
  242    HE1  MET  31           HE1      MET  31  -7.322  -2.099   0.392
  243    HE2  MET  31           HE2      MET  31  -6.803  -0.462   0.787
  244    HE3  MET  31           HE3      MET  31  -8.451  -0.755   0.231
  245    H    ASN  32           HN       ASN  32  -9.445   2.437   6.662
  246    HA   ASN  32           HA       ASN  32 -11.499   1.015   8.158
  247    HB2  ASN  32           HB2      ASN  32  -9.496   0.956   9.624
  248    HB3  ASN  32           HB1      ASN  32  -9.421   2.717   9.559
  249   HD21  ASN  32          HD21      ASN  32 -11.168  -0.038  10.758
  250   HD22  ASN  32          HD22      ASN  32 -12.101   0.821  11.943
  251    H    GLY  33           HN       GLY  33 -12.967   2.158   6.915
  252    HA2  GLY  33           HA2      GLY  33 -14.378   3.877   6.387
  253    HA3  GLY  33           HA1      GLY  33 -13.923   4.573   7.934
  254    H    ASN  34           HN       ASN  34 -12.557   6.331   7.967
  255    HA   ASN  34           HA       ASN  34 -11.862   7.473   5.351
  256    HB2  ASN  34           HB2      ASN  34 -13.306   8.712   7.115
  257    HB3  ASN  34           HB1      ASN  34 -11.795   8.946   7.982
  258   HD21  ASN  34          HD21      ASN  34 -10.184   9.262   5.579
  259   HD22  ASN  34          HD22      ASN  34 -10.584  10.833   4.945
  260    H    GLN  35           HN       GLN  35 -10.311   5.372   6.456
  261    HA   GLN  35           HA       GLN  35  -7.779   6.760   6.842
  262    HB2  GLN  35           HB2      GLN  35  -8.447   6.286   9.099
  263    HB3  GLN  35           HB1      GLN  35  -8.850   4.621   8.680
  264    HG2  GLN  35           HG2      GLN  35  -6.459   4.250   8.117
  265    HG3  GLN  35           HG1      GLN  35  -6.111   5.869   8.725
  266   HE21  GLN  35          HE21      GLN  35  -4.793   5.122  10.383
  267   HE22  GLN  35          HE22      GLN  35  -5.417   4.277  11.764
  268    H    LEU  36           HN       LEU  36  -6.126   5.859   5.852
  269    HA   LEU  36           HA       LEU  36  -6.251   3.011   5.143
  270    HB2  LEU  36           HB2      LEU  36  -6.247   4.677   3.196
  271    HB3  LEU  36           HB1      LEU  36  -4.628   5.112   3.698
  272    HG   LEU  36           HG       LEU  36  -4.660   3.565   1.775
  273   HD11  LEU  36          HD11      LEU  36  -2.709   3.567   3.204
  274   HD12  LEU  36          HD12      LEU  36  -3.040   1.938   2.615
  275   HD13  LEU  36          HD13      LEU  36  -3.461   2.380   4.269
  276   HD21  LEU  36          HD21      LEU  36  -5.324   1.254   2.052
  277   HD22  LEU  36          HD22      LEU  36  -6.684   2.335   2.357
  278   HD23  LEU  36          HD23      LEU  36  -5.836   1.580   3.707
  279    H    LYS  37           HN       LYS  37  -5.070   2.059   6.701
  280    HA   LYS  37           HA       LYS  37  -2.644   3.474   7.642
  281    HB2  LYS  37           HB2      LYS  37  -2.793   2.100   9.669
  282    HB3  LYS  37           HB1      LYS  37  -4.264   3.038   9.430
  283    HG2  LYS  37           HG2      LYS  37  -5.413   1.060   8.612
  284    HG3  LYS  37           HG1      LYS  37  -3.933   0.113   8.789
  285    HD2  LYS  37           HD2      LYS  37  -3.944   0.608  11.208
  286    HD3  LYS  37           HD1      LYS  37  -5.467   1.474  11.003
  287    HE2  LYS  37           HE2      LYS  37  -6.533  -0.579  10.221
  288    HE3  LYS  37           HE1      LYS  37  -5.007  -1.445  10.398
  289    HZ1  LYS  37           HZ1      LYS  37  -6.587  -0.199  12.582
  290    HZ2  LYS  37           HZ2      LYS  37  -5.076  -0.929  12.781
  291    HZ3  LYS  37           HZ3      LYS  37  -6.400  -1.856  12.292
  292    H    ALA  38           HN       ALA  38  -0.766   2.574   7.360
  293    HA   ALA  38           HA       ALA  38  -0.482  -0.202   6.579
  294    HB1  ALA  38           HB1      ALA  38  -0.951   0.905   4.446
  295    HB2  ALA  38           HB2      ALA  38   0.719   0.338   4.509
  296    HB3  ALA  38           HB3      ALA  38   0.359   2.048   4.745
  297    H    THR  39           HN       THR  39   1.139  -0.891   7.767
  298    HA   THR  39           HA       THR  39   3.182   1.029   8.601
  299    HB   THR  39           HB       THR  39   3.773  -0.652  10.323
  300    HG1  THR  39           HG1      THR  39   3.072  -2.527   9.286
  301   HG21  THR  39          HG21      THR  39   1.760  -0.390  11.706
  302   HG22  THR  39          HG22      THR  39   0.847   0.105  10.280
  303   HG23  THR  39          HG23      THR  39   2.168   1.111  10.875
  304    H    SER  40           HN       SER  40   5.365   0.509   8.438
  305    HA   SER  40           HA       SER  40   5.976  -1.635   6.527
  306    HB2  SER  40           HB2      SER  40   8.031  -0.335   6.033
  307    HB3  SER  40           HB1      SER  40   6.552   0.558   5.661
  308    HG   SER  40           HG       SER  40   7.611   0.864   8.219
  309    H    SER  41           HN       SER  41   6.897  -3.343   7.395
  310    HA   SER  41           HA       SER  41   8.340  -2.981   9.911
  311    HB2  SER  41           HB2      SER  41   6.412  -4.596   9.842
  312    HB3  SER  41           HB1      SER  41   7.345  -5.577   8.722
  313    HG   SER  41           HG       SER  41   7.711  -5.127  11.454
  314    H    ASN  42           HN       ASN  42  10.018  -4.954  10.062
  315    HA   ASN  42           HA       ASN  42  12.110  -5.611   9.526
  316    HB2  ASN  42           HB2      ASN  42  11.000  -5.587   7.005
  317    HB3  ASN  42           HB1      ASN  42  12.373  -4.495   6.838
  318   HD21  ASN  42          HD21      ASN  42  14.441  -5.285   7.053
  319   HD22  ASN  42          HD22      ASN  42  14.794  -6.984   7.077
  320    H    ALA  43           HN       ALA  43  11.315  -3.070  10.598
  321    HA   ALA  43           HA       ALA  43  12.390  -1.317  11.534
  322    HB1  ALA  43           HB1      ALA  43  14.792  -1.480  11.802
  323    HB2  ALA  43           HB2      ALA  43  14.862  -2.713  10.542
  324    HB3  ALA  43           HB3      ALA  43  14.021  -3.045  12.056
  325    H    GLY  44           HN       GLY  44  11.475  -0.935   8.852
  326    HA2  GLY  44           HA2      GLY  44  11.429   0.991   7.569
  327    HA3  GLY  44           HA1      GLY  44  12.879   1.539   8.399
  328    H    TYR  45           HN       TYR  45  13.553  -1.513   7.353
  329    HA   TYR  45           HA       TYR  45  15.300  -0.658   5.312
  330    HB2  TYR  45           HB2      TYR  45  14.339  -3.331   6.251
  331    HB3  TYR  45           HB1      TYR  45  15.226  -3.223   4.732
  332    HD1  TYR  45           HD1      TYR  45  17.595  -2.794   4.708
  333    HD2  TYR  45           HD2      TYR  45  15.440  -2.690   8.379
  334    HE1  TYR  45           HE1      TYR  45  19.711  -2.769   5.948
  335    HE2  TYR  45           HE2      TYR  45  17.553  -2.664   9.621
  336    HH   TYR  45           HH       TYR  45  19.899  -3.337   9.282
  337    H    GLY  46           HN       GLY  46  15.111  -0.525   3.167
  338    HA2  GLY  46           HA2      GLY  46  12.540  -0.143   2.081
  339    HA3  GLY  46           HA1      GLY  46  14.036  -0.180   1.166
  340    H    ILE  47           HN       ILE  47  11.449  -1.197   0.505
  341    HA   ILE  47           HA       ILE  47  11.102  -3.949   0.714
  342    HB   ILE  47           HB       ILE  47  10.572  -2.226  -1.668
  343   HG12  ILE  47          HG12      ILE  47   8.565  -2.897   0.474
  344   HG13  ILE  47          HG11      ILE  47   9.607  -1.480   0.598
  345   HG21  ILE  47          HG21      ILE  47  10.470  -4.548  -2.184
  346   HG22  ILE  47          HG22      ILE  47   8.835  -3.869  -2.195
  347   HG23  ILE  47          HG23      ILE  47   9.378  -4.839  -0.825
  348   HD11  ILE  47          HD11      ILE  47   8.708  -0.672  -1.539
  349   HD12  ILE  47          HD12      ILE  47   7.477  -0.842  -0.291
  350   HD13  ILE  47          HD13      ILE  47   7.605  -2.049  -1.571
  351    H    SER  48           HN       SER  48  12.612  -2.048  -1.827
  352    HA   SER  48           HA       SER  48  14.043  -4.442  -2.660
  353    HB2  SER  48           HB2      SER  48  12.119  -3.948  -4.177
  354    HB3  SER  48           HB1      SER  48  12.843  -2.375  -4.521
  355    HG   SER  48           HG       SER  48  13.604  -4.923  -5.367
  356    H    TYR  49           HN       TYR  49  15.596  -3.399  -4.580
  357    HA   TYR  49           HA       TYR  49  17.077  -1.265  -3.211
  358    HB2  TYR  49           HB2      TYR  49  17.707  -3.784  -2.835
  359    HB3  TYR  49           HB1      TYR  49  18.483  -3.621  -4.408
  360    HD1  TYR  49           HD1      TYR  49  20.578  -2.269  -4.633
  361    HD2  TYR  49           HD2      TYR  49  18.508  -2.499  -0.902
  362    HE1  TYR  49           HE1      TYR  49  22.515  -1.308  -3.492
  363    HE2  TYR  49           HE2      TYR  49  20.453  -1.528   0.227
  364    HH   TYR  49           HH       TYR  49  23.007  -0.051  -1.426
  365    H    GLU  50           HN       GLU  50  15.374  -1.872  -5.696
  366    HA   GLU  50           HA       GLU  50  17.080  -0.418  -7.598
  367    HB2  GLU  50           HB2      GLU  50  15.108  -2.605  -8.300
  368    HB3  GLU  50           HB1      GLU  50  16.097  -1.695  -9.435
  369    HG2  GLU  50           HG2      GLU  50  18.093  -2.703  -8.628
  370    HG3  GLU  50           HG1      GLU  50  17.236  -3.440  -7.272
  371    H    ASP  51           HN       ASP  51  15.734   0.799  -9.209
  372    HA   ASP  51           HA       ASP  51  13.638   2.144  -7.744
  373    HB2  ASP  51           HB2      ASP  51  15.371   3.372  -9.066
  374    HB3  ASP  51           HB1      ASP  51  14.633   2.733 -10.535
  375    H    LYS  52           HN       LYS  52  11.954   0.682  -7.670
  376    HA   LYS  52           HA       LYS  52  10.665  -0.077 -10.178
  377    HB2  LYS  52           HB2      LYS  52  10.168  -0.757  -7.297
  378    HB3  LYS  52           HB1      LYS  52   8.939  -1.059  -8.514
  379    HG2  LYS  52           HG2      LYS  52  10.075  -3.070  -8.177
  380    HG3  LYS  52           HG1      LYS  52  10.632  -2.450  -9.730
  381    HD2  LYS  52           HD2      LYS  52  12.681  -1.656  -8.705
  382    HD3  LYS  52           HD1      LYS  52  12.109  -2.168  -7.114
  383    HE2  LYS  52           HE2      LYS  52  13.663  -3.802  -8.010
  384    HE3  LYS  52           HE1      LYS  52  12.048  -4.491  -7.900
  385    HZ1  LYS  52           HZ1      LYS  52  11.751  -4.092 -10.262
  386    HZ2  LYS  52           HZ2      LYS  52  13.104  -5.065  -9.985
  387    HZ3  LYS  52           HZ3      LYS  52  13.304  -3.432 -10.370
  388    H    ASN  53           HN       ASN  53   8.684   0.681 -10.824
  389    HA   ASN  53           HA       ASN  53   7.755   3.126  -9.542
  390    HB2  ASN  53           HB2      ASN  53   6.019   2.942 -11.534
  391    HB3  ASN  53           HB1      ASN  53   7.645   3.544 -11.794
  392   HD21  ASN  53          HD21      ASN  53   5.429   0.943 -12.350
  393   HD22  ASN  53          HD22      ASN  53   6.396   0.109 -13.522
  394    H    TRP  54           HN       TRP  54   6.665   2.707  -7.774
  395    HA   TRP  54           HA       TRP  54   4.558   0.678  -7.796
  396    HB2  TRP  54           HB2      TRP  54   6.506   1.506  -5.926
  397    HB3  TRP  54           HB1      TRP  54   4.925   1.996  -5.304
  398    HD1  TRP  54           HD1      TRP  54   6.995  -1.105  -6.001
  399    HE1  TRP  54           HE1      TRP  54   5.739  -3.130  -4.964
  400    HE3  TRP  54           HE3      TRP  54   2.697   1.224  -4.893
  401    HZ2  TRP  54           HZ2      TRP  54   3.136  -3.596  -3.822
  402    HZ3  TRP  54           HZ3      TRP  54   0.870   0.016  -3.878
  403    HH2  TRP  54           HH2      TRP  54   1.080  -2.354  -3.317
  404    H    GLY  55           HN       GLY  55   2.406   1.252  -6.771
  405    HA2  GLY  55           HA2      GLY  55   1.944   4.050  -6.332
  406    HA3  GLY  55           HA1      GLY  55   1.308   3.466  -7.836
  407    H    ILE  56           HN       ILE  56  -0.228   4.668  -5.972
  408    HA   ILE  56           HA       ILE  56  -2.012   2.448  -5.177
  409    HB   ILE  56           HB       ILE  56  -1.695   5.182  -3.923
  410   HG12  ILE  56          HG12      ILE  56  -1.453   3.822  -1.844
  411   HG13  ILE  56          HG11      ILE  56  -1.411   2.373  -2.855
  412   HG21  ILE  56          HG21      ILE  56  -3.562   4.573  -2.444
  413   HG22  ILE  56          HG22      ILE  56  -3.832   3.118  -3.402
  414   HG23  ILE  56          HG23      ILE  56  -4.065   4.708  -4.128
  415   HD11  ILE  56          HD11      ILE  56   0.811   3.104  -2.134
  416   HD12  ILE  56          HD12      ILE  56   0.560   4.641  -2.954
  417   HD13  ILE  56          HD13      ILE  56   0.635   3.150  -3.888
  418    H    PHE  57           HN       PHE  57  -3.968   2.392  -6.091
  419    HA   PHE  57           HA       PHE  57  -4.925   4.787  -7.519
  420    HB2  PHE  57           HB2      PHE  57  -5.295   1.874  -8.254
  421    HB3  PHE  57           HB1      PHE  57  -6.101   3.211  -9.060
  422    HD1  PHE  57           HD1      PHE  57  -2.809   1.678  -8.385
  423    HD2  PHE  57           HD2      PHE  57  -5.019   4.450 -10.738
  424    HE1  PHE  57           HE1      PHE  57  -0.898   1.897  -9.913
  425    HE2  PHE  57           HE2      PHE  57  -3.110   4.676 -12.270
  426    HZ   PHE  57           HZ       PHE  57  -1.047   3.399 -11.859
  427    H    VAL  58           HN       VAL  58  -6.520   5.645  -6.328
  428    HA   VAL  58           HA       VAL  58  -8.406   3.865  -4.973
  429    HB   VAL  58           HB       VAL  58  -7.716   5.695  -3.590
  430   HG11  VAL  58          HG11      VAL  58  -6.914   7.225  -5.288
  431   HG12  VAL  58          HG12      VAL  58  -8.045   8.046  -4.214
  432   HG13  VAL  58          HG13      VAL  58  -8.565   7.536  -5.821
  433   HG21  VAL  58          HG21      VAL  58 -10.480   6.256  -4.656
  434   HG22  VAL  58          HG22      VAL  58  -9.844   6.799  -3.104
  435   HG23  VAL  58          HG23      VAL  58 -10.066   5.078  -3.413
  436    H    ASN  59           HN       ASN  59 -10.139   3.195  -6.041
  437    HA   ASN  59           HA       ASN  59 -11.720   2.977  -7.666
  438    HB2  ASN  59           HB2      ASN  59 -11.679   5.978  -7.371
  439    HB3  ASN  59           HB1      ASN  59 -12.784   5.164  -8.470
  440   HD21  ASN  59          HD21      ASN  59 -14.484   3.999  -7.655
  441   HD22  ASN  59          HD22      ASN  59 -14.968   4.091  -5.996
  442    H    GLY  60           HN       GLY  60  -8.974   2.953  -8.450
  443    HA2  GLY  60           HA2      GLY  60  -7.898   2.670 -10.476
  444    HA3  GLY  60           HA1      GLY  60  -9.323   3.310 -11.283
  445    H    GLU  61           HN       GLU  61  -8.305   5.428  -8.855
  446    HA   GLU  61           HA       GLU  61  -6.922   7.055 -10.877
  447    HB2  GLU  61           HB2      GLU  61  -8.995   8.042  -9.957
  448    HB3  GLU  61           HB1      GLU  61  -8.292   7.975  -8.342
  449    HG2  GLU  61           HG2      GLU  61  -6.607   9.558  -8.935
  450    HG3  GLU  61           HG1      GLU  61  -7.086   9.508 -10.633
  451    H    LYS  62           HN       LYS  62  -4.870   7.541 -10.628
  452    HA   LYS  62           HA       LYS  62  -3.371   6.303  -8.545
  453    HB2  LYS  62           HB2      LYS  62  -2.610   6.511 -10.898
  454    HB3  LYS  62           HB1      LYS  62  -2.467   8.250 -10.673
  455    HG2  LYS  62           HG2      LYS  62  -0.645   8.027  -9.222
  456    HG3  LYS  62           HG1      LYS  62  -0.958   6.305  -8.958
  457    HD2  LYS  62           HD2      LYS  62   0.973   6.713 -10.451
  458    HD3  LYS  62           HD1      LYS  62  -0.315   5.799 -11.235
  459    HE2  LYS  62           HE2      LYS  62  -1.111   7.891 -12.284
  460    HE3  LYS  62           HE1      LYS  62   0.245   8.747 -11.552
  461    HZ1  LYS  62           HZ1      LYS  62   0.484   6.494 -13.471
  462    HZ2  LYS  62           HZ2      LYS  62   1.764   7.376 -12.803
  463    HZ3  LYS  62           HZ3      LYS  62   0.678   8.129 -13.856
  464    H    VAL  63           HN       VAL  63  -3.575   7.130  -6.568
  465    HA   VAL  63           HA       VAL  63  -3.622  10.018  -6.171
  466    HB   VAL  63           HB       VAL  63  -5.289   9.053  -4.864
  467   HG11  VAL  63          HG11      VAL  63  -3.333   6.909  -4.057
  468   HG12  VAL  63          HG12      VAL  63  -4.693   6.730  -5.166
  469   HG13  VAL  63          HG13      VAL  63  -4.984   7.060  -3.459
  470   HG21  VAL  63          HG21      VAL  63  -4.637   9.299  -2.538
  471   HG22  VAL  63          HG22      VAL  63  -3.879  10.558  -3.515
  472   HG23  VAL  63          HG23      VAL  63  -2.935   9.165  -2.979
  473    H    TYR  64           HN       TYR  64  -1.699   7.207  -5.140
  474    HA   TYR  64           HA       TYR  64   0.472   9.084  -4.488
  475    HB2  TYR  64           HB2      TYR  64  -0.680   8.106  -2.456
  476    HB3  TYR  64           HB1      TYR  64  -0.118   6.524  -2.984
  477    HD1  TYR  64           HD1      TYR  64   2.200   5.889  -2.725
  478    HD2  TYR  64           HD2      TYR  64   0.895   9.771  -1.594
  479    HE1  TYR  64           HE1      TYR  64   4.284   6.212  -1.484
  480    HE2  TYR  64           HE2      TYR  64   2.993  10.117  -0.354
  481    HH   TYR  64           HH       TYR  64   4.747   8.718   0.727
  482    H    THR  65           HN       THR  65   2.571   8.324  -4.932
  483    HA   THR  65           HA       THR  65   2.838   5.740  -6.268
  484    HB   THR  65           HB       THR  65   3.698   8.352  -7.549
  485    HG1  THR  65           HG1      THR  65   1.409   6.876  -7.708
  486   HG21  THR  65          HG21      THR  65   3.900   5.537  -8.612
  487   HG22  THR  65          HG22      THR  65   5.250   6.505  -8.022
  488   HG23  THR  65          HG23      THR  65   4.368   7.010  -9.462
  489    H    PHE  66           HN       PHE  66   4.980   4.895  -6.069
  490    HA   PHE  66           HA       PHE  66   7.078   6.582  -5.039
  491    HB2  PHE  66           HB2      PHE  66   7.449   5.340  -2.969
  492    HB3  PHE  66           HB1      PHE  66   5.875   6.119  -2.982
  493    HD1  PHE  66           HD1      PHE  66   3.826   4.769  -3.086
  494    HD2  PHE  66           HD2      PHE  66   7.676   2.954  -2.955
  495    HE1  PHE  66           HE1      PHE  66   2.789   2.627  -2.429
  496    HE2  PHE  66           HE2      PHE  66   6.650   0.814  -2.314
  497    HZ   PHE  66           HZ       PHE  66   4.207   0.647  -2.052
  498    H    ASN  67           HN       ASN  67   8.903   4.890  -4.155
  499    HA   ASN  67           HA       ASN  67   9.188   2.838  -6.247
  500    HB2  ASN  67           HB2      ASN  67  11.436   4.605  -5.245
  501    HB3  ASN  67           HB1      ASN  67  11.512   3.422  -6.552
  502   HD21  ASN  67          HD21      ASN  67  10.434   3.894  -8.517
  503   HD22  ASN  67          HD22      ASN  67  10.098   5.528  -8.964
  504    H    GLU  68           HN       GLU  68  10.171   0.962  -5.630
  505    HA   GLU  68           HA       GLU  68   9.859   0.280  -2.902
  506    HB2  GLU  68           HB2      GLU  68  10.836  -1.172  -5.312
  507    HB3  GLU  68           HB1      GLU  68  11.106  -1.878  -3.729
  508    HG2  GLU  68           HG2      GLU  68   8.803  -2.007  -3.280
  509    HG3  GLU  68           HG1      GLU  68   8.404  -1.004  -4.667
  510    H    LYS  69           HN       LYS  69  12.529   1.699  -4.423
  511    HA   LYS  69           HA       LYS  69  14.474   0.430  -2.679
  512    HB2  LYS  69           HB2      LYS  69  16.138   1.735  -3.853
  513    HB3  LYS  69           HB1      LYS  69  15.070   0.962  -5.013
  514    HG2  LYS  69           HG2      LYS  69  13.815   3.110  -5.172
  515    HG3  LYS  69           HG1      LYS  69  15.072   3.848  -4.170
  516    HD2  LYS  69           HD2      LYS  69  15.566   2.462  -6.809
  517    HD3  LYS  69           HD1      LYS  69  15.430   4.210  -6.601
  518    HE2  LYS  69           HE2      LYS  69  17.471   2.500  -5.183
  519    HE3  LYS  69           HE1      LYS  69  17.776   3.331  -6.705
  520    HZ1  LYS  69           HZ1      LYS  69  18.561   4.584  -4.774
  521    HZ2  LYS  69           HZ2      LYS  69  16.983   4.669  -4.175
  522    HZ3  LYS  69           HZ3      LYS  69  17.376   5.430  -5.633
  523    H    SER  70           HN       SER  70  12.288   2.895  -2.382
  524    HA   SER  70           HA       SER  70  13.922   4.681  -0.810
  525    HB2  SER  70           HB2      SER  70  10.930   4.628  -1.288
  526    HB3  SER  70           HB1      SER  70  11.821   5.942  -0.513
  527    HG   SER  70           HG       SER  70  13.067   6.001  -2.548
  528    H    THR  71           HN       THR  71  12.706   5.360   1.407
  529    HA   THR  71           HA       THR  71  12.852   2.985   3.019
  530    HB   THR  71           HB       THR  71  12.461   4.640   4.903
  531    HG1  THR  71           HG1      THR  71  13.142   6.752   3.243
  532   HG21  THR  71          HG21      THR  71  14.782   5.152   3.043
  533   HG22  THR  71          HG22      THR  71  14.703   3.911   4.292
  534   HG23  THR  71          HG23      THR  71  14.711   5.616   4.743
  535    H    VAL  72           HN       VAL  72  11.147   1.772   3.277
  536    HA   VAL  72           HA       VAL  72   8.630   2.405   2.270
  537    HB   VAL  72           HB       VAL  72   8.894   0.285   4.360
  538   HG11  VAL  72          HG11      VAL  72   7.459  -0.949   2.863
  539   HG12  VAL  72          HG12      VAL  72   7.583   0.327   1.649
  540   HG13  VAL  72          HG13      VAL  72   6.772   0.646   3.186
  541   HG21  VAL  72          HG21      VAL  72  10.954  -0.013   3.201
  542   HG22  VAL  72          HG22      VAL  72  10.176   0.209   1.634
  543   HG23  VAL  72          HG23      VAL  72   9.829  -1.228   2.598
  544    H    GLY  73           HN       GLY  73  10.048   3.307   5.192
  545    HA2  GLY  73           HA2      GLY  73   7.587   3.375   6.743
  546    HA3  GLY  73           HA1      GLY  73   9.173   3.950   7.269
  547    H    ASN  74           HN       ASN  74   9.701   5.718   5.100
  548    HA   ASN  74           HA       ASN  74   7.983   7.915   5.784
  549    HB2  ASN  74           HB2      ASN  74  10.129   7.629   3.669
  550    HB3  ASN  74           HB1      ASN  74   9.212   9.110   3.918
  551   HD21  ASN  74          HD21      ASN  74  11.753   7.099   5.049
  552   HD22  ASN  74          HD22      ASN  74  12.282   8.132   6.342
  553    H    ILE  75           HN       ILE  75   8.212   5.534   3.295
  554    HA   ILE  75           HA       ILE  75   6.444   6.706   1.429
  555    HB   ILE  75           HB       ILE  75   7.184   3.820   1.898
  556   HG12  ILE  75          HG12      ILE  75   9.093   5.148   1.232
  557   HG13  ILE  75          HG11      ILE  75   8.590   4.151  -0.133
  558   HG21  ILE  75          HG21      ILE  75   5.751   5.020  -0.457
  559   HG22  ILE  75          HG22      ILE  75   5.025   3.991   0.777
  560   HG23  ILE  75          HG23      ILE  75   6.268   3.342  -0.293
  561   HD11  ILE  75          HD11      ILE  75   9.152   6.323  -0.936
  562   HD12  ILE  75          HD12      ILE  75   8.104   7.093   0.254
  563   HD13  ILE  75          HD13      ILE  75   7.402   6.134  -1.049
  564    H    SER  76           HN       SER  76   5.874   3.987   3.686
  565    HA   SER  76           HA       SER  76   3.197   3.727   2.913
  566    HB2  SER  76           HB2      SER  76   2.977   2.203   4.853
  567    HB3  SER  76           HB1      SER  76   4.361   1.830   3.819
  568    HG   SER  76           HG       SER  76   5.722   2.512   5.348
  569    H    ASN  77           HN       ASN  77   4.496   4.957   5.950
  570    HA   ASN  77           HA       ASN  77   1.854   5.534   6.835
  571    HB2  ASN  77           HB2      ASN  77   4.535   5.938   8.052
  572    HB3  ASN  77           HB1      ASN  77   3.138   6.785   8.717
  573   HD21  ASN  77          HD21      ASN  77   1.187   4.803   8.196
  574   HD22  ASN  77          HD22      ASN  77   1.487   3.460   9.240
  575    H    ASP  78           HN       ASP  78   4.105   7.484   5.017
  576    HA   ASP  78           HA       ASP  78   2.843   9.974   5.467
  577    HB2  ASP  78           HB2      ASP  78   4.294   8.800   3.146
  578    HB3  ASP  78           HB1      ASP  78   3.279  10.203   2.849
  579    H    ILE  79           HN       ILE  79   2.087   7.253   3.385
  580    HA   ILE  79           HA       ILE  79  -0.204   8.184   2.122
  581    HB   ILE  79           HB       ILE  79   0.405   5.374   3.078
  582   HG12  ILE  79          HG12      ILE  79   0.801   6.639   0.355
  583   HG13  ILE  79          HG11      ILE  79   2.082   6.368   1.537
  584   HG21  ILE  79          HG21      ILE  79  -1.193   4.634   1.362
  585   HG22  ILE  79          HG22      ILE  79  -1.618   6.316   1.044
  586   HG23  ILE  79          HG23      ILE  79  -1.964   5.601   2.619
  587   HD11  ILE  79          HD11      ILE  79   1.705   3.964   1.392
  588   HD12  ILE  79          HD12      ILE  79   2.084   4.656  -0.185
  589   HD13  ILE  79          HD13      ILE  79   0.418   4.234   0.218
  590    H    ASN  80           HN       ASN  80   0.346   7.305   5.409
  591    HA   ASN  80           HA       ASN  80  -2.450   6.869   5.945
  592    HB2  ASN  80           HB2      ASN  80  -0.162   7.064   7.913
  593    HB3  ASN  80           HB1      ASN  80  -1.802   6.584   8.307
  594   HD21  ASN  80          HD21      ASN  80   0.073   5.579   5.498
  595   HD22  ASN  80          HD22      ASN  80   0.200   3.922   5.961
  596    H    LYS  81           HN       LYS  81  -0.114   9.437   6.352
  597    HA   LYS  81           HA       LYS  81  -1.575  11.078   8.093
  598    HB2  LYS  81           HB2      LYS  81   0.074  12.077   5.762
  599    HB3  LYS  81           HB1      LYS  81  -0.255  12.912   7.278
  600    HG2  LYS  81           HG2      LYS  81   1.436  10.447   6.924
  601    HG3  LYS  81           HG1      LYS  81   2.015  12.084   7.233
  602    HD2  LYS  81           HD2      LYS  81   1.014  12.088   9.413
  603    HD3  LYS  81           HD1      LYS  81   0.217  10.545   9.099
  604    HE2  LYS  81           HE2      LYS  81   2.435   9.489   8.865
  605    HE3  LYS  81           HE1      LYS  81   3.185  11.027   9.294
  606    HZ1  LYS  81           HZ1      LYS  81   3.039   9.579  11.211
  607    HZ2  LYS  81           HZ2      LYS  81   1.364   9.445  11.028
  608    HZ3  LYS  81           HZ3      LYS  81   2.054  10.934  11.434
  609    H    LEU  82           HN       LEU  82  -1.693  10.567   4.661
  610    HA   LEU  82           HA       LEU  82  -3.514  12.526   3.881
  611    HB2  LEU  82           HB2      LEU  82  -3.635   9.813   2.652
  612    HB3  LEU  82           HB1      LEU  82  -3.617  11.389   1.877
  613    HG   LEU  82           HG       LEU  82  -1.225   9.940   3.073
  614   HD11  LEU  82          HD11      LEU  82  -1.973   9.015   0.952
  615   HD12  LEU  82          HD12      LEU  82  -0.464   9.906   0.728
  616   HD13  LEU  82          HD13      LEU  82  -1.995  10.620   0.225
  617   HD21  LEU  82          HD21      LEU  82  -1.390  12.633   1.679
  618   HD22  LEU  82          HD22      LEU  82   0.092  11.803   2.151
  619   HD23  LEU  82          HD23      LEU  82  -1.035  12.367   3.385
  620    H    ASN  83           HN       ASN  83  -3.922   9.581   5.608
  621    HA   ASN  83           HA       ASN  83  -5.693   8.151   5.974
  622    HB2  ASN  83           HB2      ASN  83  -5.961  10.662   7.320
  623    HB3  ASN  83           HB1      ASN  83  -7.562  10.004   6.985
  624   HD21  ASN  83          HD21      ASN  83  -4.713   8.006   7.443
  625   HD22  ASN  83          HD22      ASN  83  -5.200   7.315   8.957
  626    H    ILE  84           HN       ILE  84  -6.348   7.402   4.045
  627    HA   ILE  84           HA       ILE  84  -7.632   8.957   2.101
  628    HB   ILE  84           HB       ILE  84  -7.617   5.955   2.239
  629   HG12  ILE  84          HG12      ILE  84  -5.365   6.799   2.602
  630   HG13  ILE  84          HG11      ILE  84  -5.515   6.133   0.972
  631   HG21  ILE  84          HG21      ILE  84  -7.762   7.894  -0.071
  632   HG22  ILE  84          HG22      ILE  84  -9.066   6.858   0.509
  633   HG23  ILE  84          HG23      ILE  84  -7.630   6.143  -0.220
  634   HD11  ILE  84          HD11      ILE  84  -4.239   8.168   0.898
  635   HD12  ILE  84          HD12      ILE  84  -5.550   9.043   1.689
  636   HD13  ILE  84          HD13      ILE  84  -5.780   8.389   0.067
  637    H    LYS  85           HN       LYS  85  -9.652   8.945   1.297
  638    HA   LYS  85           HA       LYS  85 -11.742   8.314   3.266
  639    HB2  LYS  85           HB2      LYS  85 -12.937  10.207   2.060
  640    HB3  LYS  85           HB1      LYS  85 -11.574  10.655   3.089
  641    HG2  LYS  85           HG2      LYS  85 -10.627  10.138   0.395
  642    HG3  LYS  85           HG1      LYS  85 -11.950  11.316   0.378
  643    HD2  LYS  85           HD2      LYS  85  -9.848  12.474   0.571
  644    HD3  LYS  85           HD1      LYS  85 -10.731  12.639   2.088
  645    HE2  LYS  85           HE2      LYS  85  -9.369  10.897   3.094
  646    HE3  LYS  85           HE1      LYS  85  -8.509  10.638   1.569
  647    HZ1  LYS  85           HZ1      LYS  85  -7.275  12.030   3.157
  648    HZ2  LYS  85           HZ2      LYS  85  -8.513  13.184   3.119
  649    HZ3  LYS  85           HZ3      LYS  85  -7.617  12.857   1.720
  650    H    GLY  86           HN       GLY  86 -10.741   6.606   1.097
  651    HA2  GLY  86           HA2      GLY  86 -13.035   6.685  -0.742
  652    HA3  GLY  86           HA1      GLY  86 -11.414   6.179  -1.195
  653    HA   PRO  87           HA       PRO  87 -14.110   2.627   0.383
  654    HB2  PRO  87           HB2      PRO  87 -15.064   1.540  -1.862
  655    HB3  PRO  87           HB1      PRO  87 -15.812   2.975  -1.144
  656    HG2  PRO  87           HG2      PRO  87 -13.899   2.779  -3.440
  657    HG3  PRO  87           HG1      PRO  87 -15.372   3.759  -3.298
  658    HD2  PRO  87           HD2      PRO  87 -12.833   4.723  -2.879
  659    HD3  PRO  87           HD1      PRO  87 -14.292   5.419  -2.141
  660    H    TYR  88           HN       TYR  88 -12.870   1.778  -2.867
  661    HA   TYR  88           HA       TYR  88 -11.208  -0.204  -1.547
  662    HB2  TYR  88           HB2      TYR  88 -11.093  -1.370  -3.742
  663    HB3  TYR  88           HB1      TYR  88 -12.716  -1.269  -3.080
  664    HD1  TYR  88           HD1      TYR  88 -14.186   0.702  -3.993
  665    HD2  TYR  88           HD2      TYR  88 -10.717  -0.795  -5.942
  666    HE1  TYR  88           HE1      TYR  88 -14.990   1.625  -6.125
  667    HE2  TYR  88           HE2      TYR  88 -11.504   0.131  -8.076
  668    HH   TYR  88           HH       TYR  88 -13.557   0.826  -9.133
  669    H    ILE  89           HN       ILE  89  -9.205   0.271  -1.308
  670    HA   ILE  89           HA       ILE  89  -7.970   2.282  -3.052
  671    HB   ILE  89           HB       ILE  89  -6.904   1.269  -0.418
  672   HG12  ILE  89          HG12      ILE  89  -9.164   2.137  -0.083
  673   HG13  ILE  89          HG11      ILE  89  -7.967   3.218   0.638
  674   HG21  ILE  89          HG21      ILE  89  -5.300   2.440  -1.820
  675   HG22  ILE  89          HG22      ILE  89  -5.703   3.408  -0.402
  676   HG23  ILE  89          HG23      ILE  89  -6.406   3.807  -1.970
  677   HD11  ILE  89          HD11      ILE  89  -9.640   4.529  -0.445
  678   HD12  ILE  89          HD12      ILE  89  -9.476   3.602  -1.935
  679   HD13  ILE  89          HD13      ILE  89  -8.159   4.643  -1.395
  680    H    GLU  90           HN       GLU  90  -6.839   1.427  -4.650
  681    HA   GLU  90           HA       GLU  90  -5.855  -1.295  -4.397
  682    HB2  GLU  90           HB2      GLU  90  -5.897   0.555  -6.778
  683    HB3  GLU  90           HB1      GLU  90  -5.558  -1.173  -6.800
  684    HG2  GLU  90           HG2      GLU  90  -7.796  -1.694  -6.167
  685    HG3  GLU  90           HG1      GLU  90  -8.153   0.005  -5.833
  686    H    ILE  91           HN       ILE  91  -4.026  -1.250  -3.254
  687    HA   ILE  91           HA       ILE  91  -1.901   0.605  -4.006
  688    HB   ILE  91           HB       ILE  91  -2.024  -1.376  -1.721
  689   HG12  ILE  91          HG12      ILE  91  -2.808   1.518  -1.944
  690   HG13  ILE  91          HG11      ILE  91  -3.704   0.180  -1.232
  691   HG21  ILE  91          HG21      ILE  91  -0.178  -0.033  -0.771
  692   HG22  ILE  91          HG22      ILE  91  -0.099   0.871  -2.282
  693   HG23  ILE  91          HG23      ILE  91   0.256  -0.855  -2.267
  694   HD11  ILE  91          HD11      ILE  91  -1.210   1.405  -0.074
  695   HD12  ILE  91          HD12      ILE  91  -2.207   0.141   0.656
  696   HD13  ILE  91          HD13      ILE  91  -2.862   1.763   0.437
  697    H    LYS  92           HN       LYS  92  -0.757  -0.091  -5.732
  698    HA   LYS  92           HA       LYS  92   0.329  -2.773  -5.777
  699    HB2  LYS  92           HB2      LYS  92  -0.724  -3.255  -8.022
  700    HB3  LYS  92           HB1      LYS  92  -1.836  -3.292  -6.656
  701    HG2  LYS  92           HG2      LYS  92  -3.084  -2.074  -8.112
  702    HG3  LYS  92           HG1      LYS  92  -2.186  -0.768  -7.334
  703    HD2  LYS  92           HD2      LYS  92  -2.027  -0.265  -9.592
  704    HD3  LYS  92           HD1      LYS  92  -0.494  -1.051  -9.234
  705    HE2  LYS  92           HE2      LYS  92  -2.857  -2.531 -10.369
  706    HE3  LYS  92           HE1      LYS  92  -1.651  -1.739 -11.386
  707    HZ1  LYS  92           HZ1      LYS  92  -1.083  -4.026 -11.163
  708    HZ2  LYS  92           HZ2      LYS  92  -1.194  -3.972  -9.480
  709    HZ3  LYS  92           HZ3      LYS  92   0.048  -3.136 -10.272
  710    H    GLN  93           HN       GLN  93   2.105  -2.930  -7.067
  711    HA   GLN  93           HA       GLN  93   3.355  -0.673  -8.108
  712    HB2  GLN  93           HB2      GLN  93   4.395  -2.768  -7.233
  713    HB3  GLN  93           HB1      GLN  93   3.857  -3.596  -8.696
  714    HG2  GLN  93           HG2      GLN  93   5.449  -1.144  -8.945
  715    HG3  GLN  93           HG1      GLN  93   6.279  -2.621  -8.457
  716   HE21  GLN  93          HE21      GLN  93   6.536  -1.054 -10.907
  717   HE22  GLN  93          HE22      GLN  93   6.171  -2.133 -12.205
  718    H    ILE  94           HN       ILE  94   3.573   0.058 -10.258
  719    HA   ILE  94           HA       ILE  94   1.270  -0.606 -11.878
  720    HB   ILE  94           HB       ILE  94   2.723   1.128 -13.442
  721   HG12  ILE  94          HG12      ILE  94   4.193   1.343 -11.247
  722   HG13  ILE  94          HG11      ILE  94   3.801   2.754 -12.216
  723   HG21  ILE  94          HG21      ILE  94   1.072   2.769 -12.784
  724   HG22  ILE  94          HG22      ILE  94   0.678   1.823 -11.350
  725   HG23  ILE  94          HG23      ILE  94   0.331   1.177 -12.956
  726   HD11  ILE  94          HD11      ILE  94   2.401   1.895  -9.696
  727   HD12  ILE  94          HD12      ILE  94   1.980   3.299 -10.675
  728   HD13  ILE  94          HD13      ILE  94   3.543   3.231  -9.860
  Start of MODEL   15
    1    H    ASP   1           HT1      ASP   1 -20.338 -10.541  -8.702
    2    HA   ASP   1           HA       ASP   1 -19.967  -7.672  -8.100
    3    HB2  ASP   1           HB2      ASP   1 -22.460  -7.713  -7.834
    4    HB3  ASP   1           HB1      ASP   1 -21.900  -7.963  -9.481
    5    H    ASN   2           HN       ASN   2 -18.547  -8.749  -6.408
    6    HA   ASN   2           HA       ASN   2 -20.203  -9.294  -4.041
    7    HB2  ASN   2           HB2      ASN   2 -18.596 -10.888  -3.201
    8    HB3  ASN   2           HB1      ASN   2 -19.067 -11.382  -4.820
    9   HD21  ASN   2          HD21      ASN   2 -17.555 -11.338  -6.464
   10   HD22  ASN   2          HD22      ASN   2 -15.868 -11.087  -6.173
   11    H    GLN   3           HN       GLN   3 -17.712  -7.553  -5.541
   12    HA   GLN   3           HA       GLN   3 -16.726  -6.399  -3.056
   13    HB2  GLN   3           HB2      GLN   3 -16.096  -5.781  -5.946
   14    HB3  GLN   3           HB1      GLN   3 -15.350  -5.006  -4.559
   15    HG2  GLN   3           HG2      GLN   3 -14.296  -7.002  -3.884
   16    HG3  GLN   3           HG1      GLN   3 -15.249  -7.968  -5.012
   17   HE21  GLN   3          HE21      GLN   3 -14.778  -7.830  -7.238
   18   HE22  GLN   3          HE22      GLN   3 -13.236  -7.290  -7.796
   19    H    LYS   4           HN       LYS   4 -19.476  -6.249  -4.150
   20    HA   LYS   4           HA       LYS   4 -19.924  -3.452  -4.677
   21    HB2  LYS   4           HB2      LYS   4 -21.259  -5.422  -5.645
   22    HB3  LYS   4           HB1      LYS   4 -22.024  -5.524  -4.064
   23    HG2  LYS   4           HG2      LYS   4 -22.822  -3.231  -4.274
   24    HG3  LYS   4           HG1      LYS   4 -22.049  -3.101  -5.853
   25    HD2  LYS   4           HD2      LYS   4 -24.366  -3.538  -6.213
   26    HD3  LYS   4           HD1      LYS   4 -23.477  -5.004  -6.619
   27    HE2  LYS   4           HE2      LYS   4 -24.101  -6.037  -4.559
   28    HE3  LYS   4           HE1      LYS   4 -24.786  -4.532  -3.949
   29    HZ1  LYS   4           HZ1      LYS   4 -26.481  -6.088  -4.747
   30    HZ2  LYS   4           HZ2      LYS   4 -25.811  -6.026  -6.296
   31    HZ3  LYS   4           HZ3      LYS   4 -26.494  -4.639  -5.618
   32    H    ALA   5           HN       ALA   5 -20.561  -5.774  -2.086
   33    HA   ALA   5           HA       ALA   5 -21.351  -3.646  -0.279
   34    HB1  ALA   5           HB1      ALA   5 -21.075  -6.597   0.257
   35    HB2  ALA   5           HB2      ALA   5 -22.560  -5.793  -0.241
   36    HB3  ALA   5           HB3      ALA   5 -21.830  -5.408   1.317
   37    H    LEU   6           HN       LEU   6 -18.709  -5.833  -0.843
   38    HA   LEU   6           HA       LEU   6 -17.224  -4.824   1.448
   39    HB2  LEU   6           HB2      LEU   6 -16.558  -6.934  -0.609
   40    HB3  LEU   6           HB1      LEU   6 -15.497  -6.473   0.715
   41    HG   LEU   6           HG       LEU   6 -18.260  -7.651   1.051
   42   HD11  LEU   6          HD11      LEU   6 -15.549  -8.917   1.403
   43   HD12  LEU   6          HD12      LEU   6 -16.702  -9.277   0.119
   44   HD13  LEU   6          HD13      LEU   6 -17.098  -9.663   1.793
   45   HD21  LEU   6          HD21      LEU   6 -16.092  -6.982   3.032
   46   HD22  LEU   6          HD22      LEU   6 -17.544  -7.909   3.403
   47   HD23  LEU   6          HD23      LEU   6 -17.679  -6.224   2.902
   48    H    GLU   7           HN       GLU   7 -15.522  -3.453   1.325
   49    HA   GLU   7           HA       GLU   7 -15.443  -1.860  -1.064
   50    HB2  GLU   7           HB2      GLU   7 -14.014  -1.507   1.569
   51    HB3  GLU   7           HB1      GLU   7 -14.037  -0.330   0.266
   52    HG2  GLU   7           HG2      GLU   7 -15.712   0.529   1.503
   53    HG3  GLU   7           HG1      GLU   7 -16.660  -0.627   0.576
   54    H    GLU   8           HN       GLU   8 -14.108  -4.579  -1.010
   55    HA   GLU   8           HA       GLU   8 -12.486  -5.496  -2.279
   56    HB2  GLU   8           HB2      GLU   8 -11.697  -2.644  -2.856
   57    HB3  GLU   8           HB1      GLU   8 -10.994  -4.052  -3.644
   58    HG2  GLU   8           HG2      GLU   8 -13.211  -4.672  -4.484
   59    HG3  GLU   8           HG1      GLU   8 -13.889  -3.235  -3.726
   60    H    GLN   9           HN       GLN   9 -12.068  -4.558   0.625
   61    HA   GLN   9           HA       GLN   9  -9.167  -4.644   0.770
   62    HB2  GLN   9           HB2      GLN   9 -11.313  -4.502   2.858
   63    HB3  GLN   9           HB1      GLN   9  -9.663  -4.907   3.300
   64    HG2  GLN   9           HG2      GLN   9  -9.994  -2.576   3.649
   65    HG3  GLN   9           HG1      GLN   9  -8.921  -2.779   2.263
   66   HE21  GLN   9          HE21      GLN   9  -9.667  -2.272   0.216
   67   HE22  GLN   9          HE22      GLN   9 -11.143  -1.410  -0.061
   68    H    MET  10           HN       MET  10 -10.861  -6.911  -0.314
   69    HA   MET  10           HA       MET  10 -10.467  -9.068   1.559
   70    HB2  MET  10           HB2      MET  10 -11.246  -9.176  -1.359
   71    HB3  MET  10           HB1      MET  10 -11.401 -10.482  -0.193
   72    HG2  MET  10           HG2      MET  10 -13.033  -9.179   1.058
   73    HG3  MET  10           HG1      MET  10 -12.868  -7.858  -0.097
   74    HE1  MET  10           HE1      MET  10 -13.241  -8.261  -2.718
   75    HE2  MET  10           HE2      MET  10 -14.196  -9.584  -3.385
   76    HE3  MET  10           HE3      MET  10 -12.556  -9.882  -2.812
   77    H    ASN  11           HN       ASN  11  -9.784 -10.878  -0.791
   78    HA   ASN  11           HA       ASN  11  -7.051 -11.148  -0.224
   79    HB2  ASN  11           HB2      ASN  11  -8.733 -12.297  -2.449
   80    HB3  ASN  11           HB1      ASN  11  -7.055 -12.750  -2.172
   81   HD21  ASN  11          HD21      ASN  11  -9.486 -14.363  -2.036
   82   HD22  ASN  11          HD22      ASN  11  -9.523 -15.032  -0.442
   83    H    SER  12           HN       SER  12  -8.685  -9.141  -2.432
   84    HA   SER  12           HA       SER  12  -6.863  -8.668  -4.436
   85    HB2  SER  12           HB2      SER  12  -7.826  -6.237  -4.205
   86    HB3  SER  12           HB1      SER  12  -8.896  -7.567  -4.669
   87    HG   SER  12           HG       SER  12  -9.146  -5.958  -2.596
   88    H    ILE  13           HN       ILE  13  -6.953  -7.204  -1.179
   89    HA   ILE  13           HA       ILE  13  -4.415  -5.881  -1.715
   90    HB   ILE  13           HB       ILE  13  -4.592  -4.851   0.453
   91   HG12  ILE  13          HG12      ILE  13  -7.206  -6.237   0.965
   92   HG13  ILE  13          HG11      ILE  13  -5.683  -6.963   1.478
   93   HG21  ILE  13          HG21      ILE  13  -6.700  -3.613   0.191
   94   HG22  ILE  13          HG22      ILE  13  -7.222  -4.798  -1.011
   95   HG23  ILE  13          HG23      ILE  13  -5.816  -3.781  -1.327
   96   HD11  ILE  13          HD11      ILE  13  -5.182  -4.945   2.770
   97   HD12  ILE  13          HD12      ILE  13  -6.673  -5.733   3.296
   98   HD13  ILE  13          HD13      ILE  13  -6.745  -4.275   2.303
   99    H    ASN  14           HN       ASN  14  -5.629  -8.710  -0.087
  100    HA   ASN  14           HA       ASN  14  -3.431  -9.150   1.637
  101    HB2  ASN  14           HB2      ASN  14  -5.264 -11.170   0.386
  102    HB3  ASN  14           HB1      ASN  14  -4.177 -11.493   1.720
  103   HD21  ASN  14          HD21      ASN  14  -7.034 -11.813   1.647
  104   HD22  ASN  14          HD22      ASN  14  -7.679 -10.793   2.887
  105    H    SER  15           HN       SER  15  -4.107 -10.122  -1.686
  106    HA   SER  15           HA       SER  15  -1.860 -11.663  -2.209
  107    HB2  SER  15           HB2      SER  15  -3.674 -11.325  -3.842
  108    HB3  SER  15           HB1      SER  15  -3.204  -9.636  -4.023
  109    HG   SER  15           HG       SER  15  -2.064 -10.448  -5.607
  110    H    VAL  16           HN       VAL  16  -2.265  -8.167  -2.185
  111    HA   VAL  16           HA       VAL  16   0.392  -7.489  -2.852
  112    HB   VAL  16           HB       VAL  16  -1.629  -5.912  -1.229
  113   HG11  VAL  16          HG11      VAL  16  -0.325  -3.957  -1.862
  114   HG12  VAL  16          HG12      VAL  16   0.826  -4.977  -2.724
  115   HG13  VAL  16          HG13      VAL  16   0.679  -5.100  -0.971
  116   HG21  VAL  16          HG21      VAL  16  -1.013  -5.892  -4.183
  117   HG22  VAL  16          HG22      VAL  16  -2.116  -4.792  -3.357
  118   HG23  VAL  16          HG23      VAL  16  -2.479  -6.517  -3.428
  119    H    ASN  17           HN       ASN  17  -1.240  -8.241   0.193
  120    HA   ASN  17           HA       ASN  17   0.888  -7.349   1.873
  121    HB2  ASN  17           HB2      ASN  17  -1.499  -9.118   2.308
  122    HB3  ASN  17           HB1      ASN  17  -0.259  -8.989   3.547
  123   HD21  ASN  17          HD21      ASN  17  -2.835  -7.366   1.888
  124   HD22  ASN  17          HD22      ASN  17  -2.925  -6.005   2.955
  125    H    ASP  18           HN       ASP  18   0.169 -10.350   0.237
  126    HA   ASP  18           HA       ASP  18   2.177 -11.863   1.641
  127    HB2  ASP  18           HB2      ASP  18   0.461 -12.473  -0.767
  128    HB3  ASP  18           HB1      ASP  18   1.665 -13.600  -0.143
  129    H    LYS  19           HN       LYS  19   2.176  -9.750  -1.042
  130    HA   LYS  19           HA       LYS  19   4.539 -10.971  -2.239
  131    HB2  LYS  19           HB2      LYS  19   2.856  -8.595  -3.032
  132    HB3  LYS  19           HB1      LYS  19   4.331  -9.051  -3.874
  133    HG2  LYS  19           HG2      LYS  19   3.357 -11.206  -4.447
  134    HG3  LYS  19           HG1      LYS  19   1.882 -10.779  -3.569
  135    HD2  LYS  19           HD2      LYS  19   1.495  -8.924  -5.104
  136    HD3  LYS  19           HD1      LYS  19   2.990  -9.304  -5.961
  137    HE2  LYS  19           HE2      LYS  19   0.606 -11.137  -5.703
  138    HE3  LYS  19           HE1      LYS  19   0.989 -10.159  -7.119
  139    HZ1  LYS  19           HZ1      LYS  19   3.033 -11.386  -7.396
  140    HZ2  LYS  19           HZ2      LYS  19   1.726 -12.459  -7.354
  141    HZ3  LYS  19           HZ3      LYS  19   2.725 -12.294  -6.003
  142    H    LEU  20           HN       LEU  20   3.573  -8.109  -0.471
  143    HA   LEU  20           HA       LEU  20   6.175  -6.880  -0.636
  144    HB2  LEU  20           HB2      LEU  20   3.742  -6.218   1.021
  145    HB3  LEU  20           HB1      LEU  20   5.171  -5.203   0.887
  146    HG   LEU  20           HG       LEU  20   3.200  -5.874  -1.310
  147   HD11  LEU  20          HD11      LEU  20   3.941  -3.218  -0.107
  148   HD12  LEU  20          HD12      LEU  20   2.536  -4.168   0.376
  149   HD13  LEU  20          HD13      LEU  20   2.660  -3.552  -1.270
  150   HD21  LEU  20          HD21      LEU  20   5.770  -4.294  -1.444
  151   HD22  LEU  20          HD22      LEU  20   4.551  -4.364  -2.716
  152   HD23  LEU  20          HD23      LEU  20   5.429  -5.822  -2.256
  153    H    ASN  21           HN       ASN  21   4.352  -8.711   1.778
  154    HA   ASN  21           HA       ASN  21   6.511  -8.553   3.694
  155    HB2  ASN  21           HB2      ASN  21   3.905 -10.078   3.631
  156    HB3  ASN  21           HB1      ASN  21   5.114 -10.360   4.883
  157   HD21  ASN  21          HD21      ASN  21   2.737  -8.143   3.632
  158   HD22  ASN  21          HD22      ASN  21   2.756  -7.059   4.984
  159    H    LYS  22           HN       LYS  22   8.141  -9.282   2.227
  160    HA   LYS  22           HA       LYS  22   8.001 -12.124   1.493
  161    HB2  LYS  22           HB2      LYS  22   9.881 -11.272  -0.166
  162    HB3  LYS  22           HB1      LYS  22   8.169 -11.100  -0.538
  163    HG2  LYS  22           HG2      LYS  22   9.228  -9.046  -1.075
  164    HG3  LYS  22           HG1      LYS  22   8.280  -8.780   0.385
  165    HD2  LYS  22           HD2      LYS  22  10.405  -9.138   1.695
  166    HD3  LYS  22           HD1      LYS  22  11.266  -9.110   0.156
  167    HE2  LYS  22           HE2      LYS  22   9.694  -6.889   1.446
  168    HE3  LYS  22           HE1      LYS  22  11.396  -6.905   1.029
  169    HZ1  LYS  22           HZ1      LYS  22  10.149  -5.625  -0.554
  170    HZ2  LYS  22           HZ2      LYS  22   9.145  -6.934  -0.897
  171    HZ3  LYS  22           HZ3      LYS  22  10.783  -6.994  -1.310
  172    H    GLY  23           HN       GLY  23   9.803  -9.830   3.309
  173    HA2  GLY  23           HA2      GLY  23  11.482 -11.524   4.635
  174    HA3  GLY  23           HA1      GLY  23  12.339 -11.165   3.135
  175    H    LYS  24           HN       LYS  24  12.885  -8.946   2.666
  176    HA   LYS  24           HA       LYS  24  13.501  -7.356   4.949
  177    HB2  LYS  24           HB2      LYS  24  14.177  -7.425   2.180
  178    HB3  LYS  24           HB1      LYS  24  13.613  -5.801   2.564
  179    HG2  LYS  24           HG2      LYS  24  15.283  -5.502   4.193
  180    HG3  LYS  24           HG1      LYS  24  15.695  -7.219   4.202
  181    HD2  LYS  24           HD2      LYS  24  16.695  -7.091   2.077
  182    HD3  LYS  24           HD1      LYS  24  15.977  -5.515   1.751
  183    HE2  LYS  24           HE2      LYS  24  17.369  -4.514   3.486
  184    HE3  LYS  24           HE1      LYS  24  18.048  -6.094   3.867
  185    HZ1  LYS  24           HZ1      LYS  24  19.544  -4.836   2.476
  186    HZ2  LYS  24           HZ2      LYS  24  18.350  -4.640   1.298
  187    HZ3  LYS  24           HZ3      LYS  24  18.971  -6.177   1.623
  188    H    GLY  25           HN       GLY  25  12.874  -4.768   3.793
  189    HA2  GLY  25           HA2      GLY  25  10.740  -4.049   5.282
  190    HA3  GLY  25           HA1      GLY  25  11.183  -3.211   3.827
  191    H    LYS  26           HN       LYS  26   8.605  -3.676   5.107
  192    HA   LYS  26           HA       LYS  26   7.225  -4.939   2.886
  193    HB2  LYS  26           HB2      LYS  26   6.192  -6.614   4.372
  194    HB3  LYS  26           HB1      LYS  26   7.948  -6.772   4.238
  195    HG2  LYS  26           HG2      LYS  26   8.028  -5.386   6.398
  196    HG3  LYS  26           HG1      LYS  26   6.328  -5.832   6.585
  197    HD2  LYS  26           HD2      LYS  26   7.298  -7.596   7.679
  198    HD3  LYS  26           HD1      LYS  26   7.313  -8.242   6.037
  199    HE2  LYS  26           HE2      LYS  26   9.618  -7.287   5.771
  200    HE3  LYS  26           HE1      LYS  26   9.577  -6.893   7.491
  201    HZ1  LYS  26           HZ1      LYS  26   9.429  -9.170   8.065
  202    HZ2  LYS  26           HZ2      LYS  26  10.688  -9.035   6.938
  203    HZ3  LYS  26           HZ3      LYS  26   9.184  -9.641   6.462
  204    H    LEU  27           HN       LEU  27   5.139  -4.348   2.674
  205    HA   LEU  27           HA       LEU  27   4.191  -2.257   4.511
  206    HB2  LEU  27           HB2      LEU  27   4.721  -1.737   2.062
  207    HB3  LEU  27           HB1      LEU  27   3.342  -2.737   1.646
  208    HG   LEU  27           HG       LEU  27   3.116  -0.265   3.367
  209   HD11  LEU  27          HD11      LEU  27   2.694  -0.554   0.393
  210   HD12  LEU  27          HD12      LEU  27   4.011   0.327   1.169
  211   HD13  LEU  27          HD13      LEU  27   2.348   0.882   1.356
  212   HD21  LEU  27          HD21      LEU  27   1.073  -1.847   1.809
  213   HD22  LEU  27          HD22      LEU  27   0.761  -0.375   2.729
  214   HD23  LEU  27          HD23      LEU  27   1.260  -1.847   3.563
  215    H    SER  28           HN       SER  28   2.458  -2.754   5.709
  216    HA   SER  28           HA       SER  28   0.759  -5.003   4.872
  217    HB2  SER  28           HB2      SER  28   0.932  -3.630   7.570
  218    HB3  SER  28           HB1      SER  28   0.020  -5.098   7.196
  219    HG   SER  28           HG       SER  28   2.838  -4.744   7.125
  220    H    LEU  29           HN       LEU  29  -1.221  -4.604   4.127
  221    HA   LEU  29           HA       LEU  29  -2.147  -1.825   4.041
  222    HB2  LEU  29           HB2      LEU  29  -3.082  -4.267   2.535
  223    HB3  LEU  29           HB1      LEU  29  -3.722  -2.649   2.321
  224    HG   LEU  29           HG       LEU  29  -1.397  -1.959   1.568
  225   HD11  LEU  29          HD11      LEU  29   0.064  -3.730   0.740
  226   HD12  LEU  29          HD12      LEU  29  -1.018  -4.948   1.414
  227   HD13  LEU  29          HD13      LEU  29  -0.150  -3.848   2.486
  228   HD21  LEU  29          HD21      LEU  29  -2.832  -4.044  -0.065
  229   HD22  LEU  29          HD22      LEU  29  -1.755  -2.789  -0.674
  230   HD23  LEU  29          HD23      LEU  29  -3.296  -2.349   0.059
  231    H    SER  30           HN       SER  30  -3.871  -1.088   5.151
  232    HA   SER  30           HA       SER  30  -6.071  -2.873   5.483
  233    HB2  SER  30           HB2      SER  30  -4.546  -3.296   7.491
  234    HB3  SER  30           HB1      SER  30  -4.966  -1.663   8.015
  235    HG   SER  30           HG       SER  30  -7.047  -3.401   7.346
  236    H    MET  31           HN       MET  31  -8.009  -1.812   5.716
  237    HA   MET  31           HA       MET  31  -7.874   1.118   5.540
  238    HB2  MET  31           HB2      MET  31  -9.197  -0.733   3.944
  239    HB3  MET  31           HB1      MET  31 -10.468  -0.060   4.955
  240    HG2  MET  31           HG2      MET  31  -8.547   1.580   3.322
  241    HG3  MET  31           HG1      MET  31 -10.162   1.110   2.793
  242    HE1  MET  31           HE1      MET  31 -10.765   3.650   2.348
  243    HE2  MET  31           HE2      MET  31  -9.159   4.146   2.881
  244    HE3  MET  31           HE3      MET  31 -10.591   4.929   3.550
  245    H    ASN  32           HN       ASN  32  -8.915   2.393   6.952
  246    HA   ASN  32           HA       ASN  32 -10.737   1.160   8.898
  247    HB2  ASN  32           HB2      ASN  32  -8.435   1.380   9.898
  248    HB3  ASN  32           HB1      ASN  32  -8.559   3.123   9.661
  249   HD21  ASN  32          HD21      ASN  32 -10.043   4.307  10.915
  250   HD22  ASN  32          HD22      ASN  32 -10.694   3.661  12.389
  251    H    GLY  33           HN       GLY  33 -12.445   2.132   7.768
  252    HA2  GLY  33           HA2      GLY  33 -14.015   3.766   7.438
  253    HA3  GLY  33           HA1      GLY  33 -13.191   4.689   8.686
  254    H    ASN  34           HN       ASN  34 -11.657   6.248   8.082
  255    HA   ASN  34           HA       ASN  34 -11.729   6.998   5.226
  256    HB2  ASN  34           HB2      ASN  34 -11.405   9.340   6.018
  257    HB3  ASN  34           HB1      ASN  34 -12.924   8.633   6.559
  258   HD21  ASN  34          HD21      ASN  34  -9.573   9.119   7.582
  259   HD22  ASN  34          HD22      ASN  34  -9.948   9.402   9.262
  260    H    GLN  35           HN       GLN  35  -9.816   5.229   6.395
  261    HA   GLN  35           HA       GLN  35  -7.367   6.763   6.121
  262    HB2  GLN  35           HB2      GLN  35  -7.671   6.874   8.475
  263    HB3  GLN  35           HB1      GLN  35  -8.147   5.179   8.560
  264    HG2  GLN  35           HG2      GLN  35  -5.825   4.609   7.768
  265    HG3  GLN  35           HG1      GLN  35  -5.417   6.306   8.019
  266   HE21  GLN  35          HE21      GLN  35  -6.329   3.328   9.564
  267   HE22  GLN  35          HE22      GLN  35  -5.868   3.790  11.170
  268    H    LEU  36           HN       LEU  36  -6.142   5.714   4.733
  269    HA   LEU  36           HA       LEU  36  -6.093   2.799   4.746
  270    HB2  LEU  36           HB2      LEU  36  -6.129   4.193   2.610
  271    HB3  LEU  36           HB1      LEU  36  -4.500   4.694   3.010
  272    HG   LEU  36           HG       LEU  36  -4.648   2.881   1.293
  273   HD11  LEU  36          HD11      LEU  36  -2.870   1.489   2.231
  274   HD12  LEU  36          HD12      LEU  36  -3.186   2.169   3.828
  275   HD13  LEU  36          HD13      LEU  36  -2.591   3.204   2.530
  276   HD21  LEU  36          HD21      LEU  36  -5.511   1.159   3.609
  277   HD22  LEU  36          HD22      LEU  36  -5.177   0.626   1.963
  278   HD23  LEU  36          HD23      LEU  36  -6.554   1.679   2.288
  279    H    LYS  37           HN       LYS  37  -4.895   2.015   6.377
  280    HA   LYS  37           HA       LYS  37  -2.552   3.590   7.270
  281    HB2  LYS  37           HB2      LYS  37  -2.707   2.426   9.368
  282    HB3  LYS  37           HB1      LYS  37  -4.299   3.048   8.978
  283    HG2  LYS  37           HG2      LYS  37  -4.851   0.976   9.740
  284    HG3  LYS  37           HG1      LYS  37  -4.669   0.629   8.024
  285    HD2  LYS  37           HD2      LYS  37  -3.541  -1.113   9.158
  286    HD3  LYS  37           HD1      LYS  37  -2.281  -0.046   8.546
  287    HE2  LYS  37           HE2      LYS  37  -1.867  -0.822  10.854
  288    HE3  LYS  37           HE1      LYS  37  -1.985   0.927  10.739
  289    HZ1  LYS  37           HZ1      LYS  37  -3.188   0.078  12.644
  290    HZ2  LYS  37           HZ2      LYS  37  -4.144  -0.894  11.646
  291    HZ3  LYS  37           HZ3      LYS  37  -4.259   0.788  11.547
  292    H    ALA  38           HN       ALA  38  -0.554   2.497   7.495
  293    HA   ALA  38           HA       ALA  38  -0.346  -0.178   6.383
  294    HB1  ALA  38           HB1      ALA  38  -0.353   1.184   4.383
  295    HB2  ALA  38           HB2      ALA  38   1.263   0.528   4.651
  296    HB3  ALA  38           HB3      ALA  38   0.915   2.212   5.048
  297    H    THR  39           HN       THR  39   0.989  -1.202   7.675
  298    HA   THR  39           HA       THR  39   3.035   0.325   9.098
  299    HB   THR  39           HB       THR  39   3.252  -1.643  10.552
  300    HG1  THR  39           HG1      THR  39   2.697  -3.230   8.989
  301   HG21  THR  39          HG21      THR  39   0.385  -0.775  10.160
  302   HG22  THR  39          HG22      THR  39   1.590   0.036  11.159
  303   HG23  THR  39          HG23      THR  39   1.023  -1.576  11.595
  304    H    SER  40           HN       SER  40   5.172  -0.146   8.930
  305    HA   SER  40           HA       SER  40   5.920  -2.060   6.826
  306    HB2  SER  40           HB2      SER  40   7.928  -0.555   6.505
  307    HB3  SER  40           HB1      SER  40   6.375   0.146   6.029
  308    HG   SER  40           HG       SER  40   6.382   1.412   7.799
  309    H    SER  41           HN       SER  41   6.950  -3.766   7.596
  310    HA   SER  41           HA       SER  41   8.247  -3.547  10.175
  311    HB2  SER  41           HB2      SER  41   7.777  -5.986   8.474
  312    HB3  SER  41           HB1      SER  41   8.420  -5.990  10.113
  313    HG   SER  41           HG       SER  41   6.199  -6.406  10.142
  314    H    ASN  42           HN       ASN  42  10.300  -5.148  10.227
  315    HA   ASN  42           HA       ASN  42  12.531  -5.191   9.879
  316    HB2  ASN  42           HB2      ASN  42  11.537  -4.770   7.147
  317    HB3  ASN  42           HB1      ASN  42  13.153  -4.129   7.420
  318   HD21  ASN  42          HD21      ASN  42  14.840  -5.505   7.707
  319   HD22  ASN  42          HD22      ASN  42  14.709  -7.229   7.546
  320    H    ALA  43           HN       ALA  43  11.150  -3.054  11.052
  321    HA   ALA  43           HA       ALA  43  11.554  -1.041  11.996
  322    HB1  ALA  43           HB1      ALA  43  14.374  -1.521  11.063
  323    HB2  ALA  43           HB2      ALA  43  13.660  -2.160  12.542
  324    HB3  ALA  43           HB3      ALA  43  13.862  -0.419  12.342
  325    H    GLY  44           HN       GLY  44  10.653  -1.004   9.262
  326    HA2  GLY  44           HA2      GLY  44  10.060   0.714   7.843
  327    HA3  GLY  44           HA1      GLY  44  11.026   1.798   8.835
  328    H    TYR  45           HN       TYR  45  12.808  -0.889   7.786
  329    HA   TYR  45           HA       TYR  45  14.444   0.694   6.084
  330    HB2  TYR  45           HB2      TYR  45  14.374  -2.197   6.840
  331    HB3  TYR  45           HB1      TYR  45  15.323  -1.710   5.439
  332    HD1  TYR  45           HD1      TYR  45  15.032  -1.463   9.102
  333    HD2  TYR  45           HD2      TYR  45  17.322  -0.361   5.686
  334    HE1  TYR  45           HE1      TYR  45  16.883  -0.779  10.565
  335    HE2  TYR  45           HE2      TYR  45  19.176   0.320   7.143
  336    HH   TYR  45           HH       TYR  45  19.349  -0.497  10.405
  337    H    GLY  46           HN       GLY  46  15.062  -0.544   3.875
  338    HA2  GLY  46           HA2      GLY  46  12.632  -0.169   2.323
  339    HA3  GLY  46           HA1      GLY  46  14.276  -0.161   1.702
  340    H    ILE  47           HN       ILE  47  12.371  -1.434   0.371
  341    HA   ILE  47           HA       ILE  47  11.955  -4.147   0.697
  342    HB   ILE  47           HB       ILE  47  12.684  -2.643  -1.796
  343   HG12  ILE  47          HG12      ILE  47  10.743  -1.671  -0.729
  344   HG13  ILE  47          HG11      ILE  47  10.236  -2.536  -2.176
  345   HG21  ILE  47          HG21      ILE  47  11.481  -5.370  -1.480
  346   HG22  ILE  47          HG22      ILE  47  12.970  -4.913  -2.312
  347   HG23  ILE  47          HG23      ILE  47  11.403  -4.447  -2.978
  348   HD11  ILE  47          HD11      ILE  47   9.325  -4.307  -0.889
  349   HD12  ILE  47          HD12      ILE  47   8.745  -2.795  -0.194
  350   HD13  ILE  47          HD13      ILE  47  10.046  -3.686   0.594
  351    H    SER  48           HN       SER  48  14.477  -2.625  -1.215
  352    HA   SER  48           HA       SER  48  16.532  -4.332  -0.503
  353    HB2  SER  48           HB2      SER  48  15.001  -5.987  -1.637
  354    HB3  SER  48           HB1      SER  48  15.217  -5.059  -3.128
  355    HG   SER  48           HG       SER  48  16.635  -6.952  -2.788
  356    H    TYR  49           HN       TYR  49  17.734  -4.454  -3.133
  357    HA   TYR  49           HA       TYR  49  18.464  -1.655  -3.416
  358    HB2  TYR  49           HB2      TYR  49  19.472  -4.123  -4.828
  359    HB3  TYR  49           HB1      TYR  49  20.203  -2.523  -4.929
  360    HD1  TYR  49           HD1      TYR  49  20.178  -1.620  -2.156
  361    HD2  TYR  49           HD2      TYR  49  21.056  -5.490  -3.712
  362    HE1  TYR  49           HE1      TYR  49  21.552  -2.104  -0.178
  363    HE2  TYR  49           HE2      TYR  49  22.425  -5.975  -1.738
  364    HH   TYR  49           HH       TYR  49  22.326  -4.170   1.068
  365    H    GLU  50           HN       GLU  50  16.302  -3.839  -4.784
  366    HA   GLU  50           HA       GLU  50  16.372  -2.814  -7.477
  367    HB2  GLU  50           HB2      GLU  50  14.461  -4.738  -6.144
  368    HB3  GLU  50           HB1      GLU  50  14.533  -4.400  -7.868
  369    HG2  GLU  50           HG2      GLU  50  16.778  -5.318  -7.975
  370    HG3  GLU  50           HG1      GLU  50  16.745  -5.621  -6.234
  371    H    ASP  51           HN       ASP  51  15.212  -1.167  -8.232
  372    HA   ASP  51           HA       ASP  51  13.116  -0.017  -6.559
  373    HB2  ASP  51           HB2      ASP  51  13.158   1.888  -8.049
  374    HB3  ASP  51           HB1      ASP  51  14.818   1.481  -7.617
  375    H    LYS  52           HN       LYS  52  10.988   0.019  -7.101
  376    HA   LYS  52           HA       LYS  52  10.209  -1.340  -9.590
  377    HB2  LYS  52           HB2      LYS  52   8.503  -1.482  -7.128
  378    HB3  LYS  52           HB1      LYS  52   8.510  -2.537  -8.529
  379    HG2  LYS  52           HG2      LYS  52  10.627  -2.439  -6.395
  380    HG3  LYS  52           HG1      LYS  52   9.355  -3.645  -6.560
  381    HD2  LYS  52           HD2      LYS  52  11.372  -3.119  -8.726
  382    HD3  LYS  52           HD1      LYS  52  11.655  -4.285  -7.435
  383    HE2  LYS  52           HE2      LYS  52   9.264  -4.360  -9.267
  384    HE3  LYS  52           HE1      LYS  52  10.751  -5.259  -9.558
  385    HZ1  LYS  52           HZ1      LYS  52   9.057  -6.607  -8.462
  386    HZ2  LYS  52           HZ2      LYS  52   9.036  -5.540  -7.150
  387    HZ3  LYS  52           HZ3      LYS  52  10.430  -6.432  -7.489
  388    H    ASN  53           HN       ASN  53   8.065  -0.724 -10.335
  389    HA   ASN  53           HA       ASN  53   7.591   2.106  -9.744
  390    HB2  ASN  53           HB2      ASN  53   6.185   2.031 -11.865
  391    HB3  ASN  53           HB1      ASN  53   7.920   1.845 -12.073
  392   HD21  ASN  53          HD21      ASN  53   4.848   0.311 -12.218
  393   HD22  ASN  53          HD22      ASN  53   5.341  -1.108 -13.080
  394    H    TRP  54           HN       TRP  54   6.224   2.381  -8.191
  395    HA   TRP  54           HA       TRP  54   4.170   0.364  -7.741
  396    HB2  TRP  54           HB2      TRP  54   5.934   1.836  -6.091
  397    HB3  TRP  54           HB1      TRP  54   4.267   2.288  -5.689
  398    HD1  TRP  54           HD1      TRP  54   6.673  -0.647  -5.448
  399    HE1  TRP  54           HE1      TRP  54   5.488  -2.535  -4.130
  400    HE3  TRP  54           HE3      TRP  54   2.080   1.378  -5.302
  401    HZ2  TRP  54           HZ2      TRP  54   2.829  -3.039  -3.162
  402    HZ3  TRP  54           HZ3      TRP  54   0.260   0.212  -4.216
  403    HH2  TRP  54           HH2      TRP  54   0.624  -1.963  -3.140
  404    H    GLY  55           HN       GLY  55   1.984   1.006  -7.024
  405    HA2  GLY  55           HA2      GLY  55   1.242   3.627  -8.073
  406    HA3  GLY  55           HA1      GLY  55   0.514   2.195  -8.733
  407    H    ILE  56           HN       ILE  56  -0.154   4.693  -6.932
  408    HA   ILE  56           HA       ILE  56  -2.176   3.180  -5.394
  409    HB   ILE  56           HB       ILE  56  -1.082   5.944  -4.814
  410   HG12  ILE  56          HG12      ILE  56  -0.451   4.870  -2.619
  411   HG13  ILE  56          HG11      ILE  56  -0.789   3.309  -3.373
  412   HG21  ILE  56          HG21      ILE  56  -3.203   4.364  -3.371
  413   HG22  ILE  56          HG22      ILE  56  -3.455   5.824  -4.328
  414   HG23  ILE  56          HG23      ILE  56  -2.522   5.900  -2.832
  415   HD11  ILE  56          HD11      ILE  56   1.209   5.260  -4.481
  416   HD12  ILE  56          HD12      ILE  56   1.013   3.551  -4.871
  417   HD13  ILE  56          HD13      ILE  56   1.623   4.031  -3.289
  418    H    PHE  57           HN       PHE  57  -4.219   3.441  -6.085
  419    HA   PHE  57           HA       PHE  57  -4.901   5.927  -7.511
  420    HB2  PHE  57           HB2      PHE  57  -6.176   3.341  -8.378
  421    HB3  PHE  57           HB1      PHE  57  -5.998   4.838  -9.265
  422    HD1  PHE  57           HD1      PHE  57  -4.015   1.973  -7.950
  423    HD2  PHE  57           HD2      PHE  57  -4.344   5.043 -10.874
  424    HE1  PHE  57           HE1      PHE  57  -2.107   1.014  -9.159
  425    HE2  PHE  57           HE2      PHE  57  -2.420   4.100 -12.080
  426    HZ   PHE  57           HZ       PHE  57  -1.300   2.081 -11.224
  427    H    VAL  58           HN       VAL  58  -6.828   6.809  -6.932
  428    HA   VAL  58           HA       VAL  58  -8.464   5.331  -4.981
  429    HB   VAL  58           HB       VAL  58  -8.537   8.276  -5.692
  430   HG11  VAL  58          HG11      VAL  58  -9.962   6.756  -3.509
  431   HG12  VAL  58          HG12      VAL  58 -10.706   7.450  -4.947
  432   HG13  VAL  58          HG13      VAL  58  -9.987   8.506  -3.732
  433   HG21  VAL  58          HG21      VAL  58  -7.421   6.883  -3.264
  434   HG22  VAL  58          HG22      VAL  58  -7.538   8.629  -3.485
  435   HG23  VAL  58          HG23      VAL  58  -6.489   7.675  -4.531
  436    H    ASN  59           HN       ASN  59 -10.250   4.366  -5.713
  437    HA   ASN  59           HA       ASN  59 -11.912   3.695  -7.115
  438    HB2  ASN  59           HB2      ASN  59 -12.051   6.679  -7.540
  439    HB3  ASN  59           HB1      ASN  59 -13.203   5.564  -8.262
  440   HD21  ASN  59          HD21      ASN  59 -14.721   4.559  -6.974
  441   HD22  ASN  59          HD22      ASN  59 -15.033   5.063  -5.346
  442    H    GLY  60           HN       GLY  60  -9.186   3.758  -8.169
  443    HA2  GLY  60           HA2      GLY  60  -8.390   2.917 -10.201
  444    HA3  GLY  60           HA1      GLY  60  -9.890   3.424 -10.971
  445    H    GLU  61           HN       GLU  61  -8.666   5.949  -9.143
  446    HA   GLU  61           HA       GLU  61  -7.482   7.154 -11.551
  447    HB2  GLU  61           HB2      GLU  61  -9.461   8.313 -10.716
  448    HB3  GLU  61           HB1      GLU  61  -8.725   8.458  -9.122
  449    HG2  GLU  61           HG2      GLU  61  -6.983   9.891 -10.054
  450    HG3  GLU  61           HG1      GLU  61  -7.720   9.743 -11.652
  451    H    LYS  62           HN       LYS  62  -5.386   7.413 -11.583
  452    HA   LYS  62           HA       LYS  62  -3.641   6.638  -9.549
  453    HB2  LYS  62           HB2      LYS  62  -3.196   6.769 -12.023
  454    HB3  LYS  62           HB1      LYS  62  -3.031   8.510 -11.839
  455    HG2  LYS  62           HG2      LYS  62  -1.093   8.236 -10.448
  456    HG3  LYS  62           HG1      LYS  62  -1.308   6.479 -10.429
  457    HD2  LYS  62           HD2      LYS  62  -0.946   6.390 -12.836
  458    HD3  LYS  62           HD1      LYS  62  -0.786   8.147 -12.892
  459    HE2  LYS  62           HE2      LYS  62   1.036   6.267 -11.394
  460    HE3  LYS  62           HE1      LYS  62   1.387   6.996 -12.959
  461    HZ1  LYS  62           HZ1      LYS  62   1.118   8.351 -10.344
  462    HZ2  LYS  62           HZ2      LYS  62   1.103   9.198 -11.806
  463    HZ3  LYS  62           HZ3      LYS  62   2.467   8.304 -11.360
  464    H    VAL  63           HN       VAL  63  -3.094   7.579  -7.726
  465    HA   VAL  63           HA       VAL  63  -3.369  10.501  -7.526
  466    HB   VAL  63           HB       VAL  63  -5.140   9.521  -6.256
  467   HG11  VAL  63          HG11      VAL  63  -4.394   7.292  -5.945
  468   HG12  VAL  63          HG12      VAL  63  -4.626   7.990  -4.341
  469   HG13  VAL  63          HG13      VAL  63  -3.003   7.825  -5.005
  470   HG21  VAL  63          HG21      VAL  63  -4.053  11.447  -5.236
  471   HG22  VAL  63          HG22      VAL  63  -2.941  10.373  -4.386
  472   HG23  VAL  63          HG23      VAL  63  -4.663  10.334  -4.012
  473    H    TYR  64           HN       TYR  64  -1.554   7.678  -6.295
  474    HA   TYR  64           HA       TYR  64   0.711   9.493  -5.908
  475    HB2  TYR  64           HB2      TYR  64  -0.372   9.139  -3.699
  476    HB3  TYR  64           HB1      TYR  64  -0.122   7.404  -3.878
  477    HD1  TYR  64           HD1      TYR  64   1.895  10.551  -4.074
  478    HD2  TYR  64           HD2      TYR  64   1.691   6.510  -2.764
  479    HE1  TYR  64           HE1      TYR  64   4.123  10.771  -3.056
  480    HE2  TYR  64           HE2      TYR  64   3.918   6.716  -1.750
  481    HH   TYR  64           HH       TYR  64   5.438   9.679  -1.244
  482    H    THR  65           HN       THR  65   2.750   8.512  -6.059
  483    HA   THR  65           HA       THR  65   2.894   5.709  -6.860
  484    HB   THR  65           HB       THR  65   3.878   8.023  -8.559
  485    HG1  THR  65           HG1      THR  65   1.618   6.591  -8.529
  486   HG21  THR  65          HG21      THR  65   4.265   5.060  -9.017
  487   HG22  THR  65          HG22      THR  65   5.529   6.196  -8.548
  488   HG23  THR  65          HG23      THR  65   4.741   6.353 -10.118
  489    H    PHE  66           HN       PHE  66   5.034   4.824  -6.499
  490    HA   PHE  66           HA       PHE  66   7.125   6.593  -5.592
  491    HB2  PHE  66           HB2      PHE  66   7.357   5.720  -3.352
  492    HB3  PHE  66           HB1      PHE  66   5.733   6.365  -3.553
  493    HD1  PHE  66           HD1      PHE  66   3.806   4.922  -3.452
  494    HD2  PHE  66           HD2      PHE  66   7.739   3.324  -3.140
  495    HE1  PHE  66           HE1      PHE  66   2.880   2.808  -2.589
  496    HE2  PHE  66           HE2      PHE  66   6.815   1.210  -2.286
  497    HZ   PHE  66           HZ       PHE  66   4.385   0.953  -2.008
  498    H    ASN  67           HN       ASN  67   9.043   5.299  -4.771
  499    HA   ASN  67           HA       ASN  67   9.327   2.873  -6.403
  500    HB2  ASN  67           HB2      ASN  67  11.388   4.808  -5.328
  501    HB3  ASN  67           HB1      ASN  67  11.801   3.265  -6.072
  502   HD21  ASN  67          HD21      ASN  67  12.399   6.035  -6.877
  503   HD22  ASN  67          HD22      ASN  67  11.807   6.171  -8.500
  504    H    GLU  68           HN       GLU  68   9.469   1.027  -5.457
  505    HA   GLU  68           HA       GLU  68   8.652   0.636  -2.864
  506    HB2  GLU  68           HB2      GLU  68   9.040  -0.912  -5.074
  507    HB3  GLU  68           HB1      GLU  68  10.253  -1.553  -3.984
  508    HG2  GLU  68           HG2      GLU  68   8.477  -1.905  -2.292
  509    HG3  GLU  68           HG1      GLU  68   7.297  -1.359  -3.483
  510    H    LYS  69           HN       LYS  69  11.981   0.728  -4.022
  511    HA   LYS  69           HA       LYS  69  13.027  -0.652  -1.758
  512    HB2  LYS  69           HB2      LYS  69  15.197  -0.206  -2.709
  513    HB3  LYS  69           HB1      LYS  69  14.083  -0.696  -3.982
  514    HG2  LYS  69           HG2      LYS  69  13.737   1.682  -4.530
  515    HG3  LYS  69           HG1      LYS  69  14.982   2.095  -3.347
  516    HD2  LYS  69           HD2      LYS  69  16.549   0.579  -4.607
  517    HD3  LYS  69           HD1      LYS  69  15.319   0.488  -5.872
  518    HE2  LYS  69           HE2      LYS  69  16.904   2.168  -6.489
  519    HE3  LYS  69           HE1      LYS  69  15.402   2.972  -6.035
  520    HZ1  LYS  69           HZ1      LYS  69  17.272   4.119  -5.082
  521    HZ2  LYS  69           HZ2      LYS  69  17.829   2.703  -4.345
  522    HZ3  LYS  69           HZ3      LYS  69  16.376   3.401  -3.841
  523    H    SER  70           HN       SER  70  11.865   2.446  -1.918
  524    HA   SER  70           HA       SER  70  13.837   3.794  -0.361
  525    HB2  SER  70           HB2      SER  70  10.876   4.388  -0.631
  526    HB3  SER  70           HB1      SER  70  12.109   5.500  -0.030
  527    HG   SER  70           HG       SER  70  13.058   4.832  -2.292
  528    H    THR  71           HN       THR  71  12.721   4.782   1.910
  529    HA   THR  71           HA       THR  71  12.597   2.471   3.582
  530    HB   THR  71           HB       THR  71  12.193   4.154   5.414
  531    HG1  THR  71           HG1      THR  71  12.905   6.159   3.571
  532   HG21  THR  71          HG21      THR  71  14.469   5.063   5.356
  533   HG22  THR  71          HG22      THR  71  14.601   4.618   3.655
  534   HG23  THR  71          HG23      THR  71  14.441   3.364   4.884
  535    H    VAL  72           HN       VAL  72  10.842   1.313   3.678
  536    HA   VAL  72           HA       VAL  72   8.440   2.065   2.484
  537    HB   VAL  72           HB       VAL  72   8.749  -0.190   4.482
  538   HG11  VAL  72          HG11      VAL  72   6.472   0.190   3.719
  539   HG12  VAL  72          HG12      VAL  72   7.114  -1.326   3.077
  540   HG13  VAL  72          HG13      VAL  72   7.010   0.099   2.039
  541   HG21  VAL  72          HG21      VAL  72   9.513  -0.162   1.559
  542   HG22  VAL  72          HG22      VAL  72   9.446  -1.598   2.582
  543   HG23  VAL  72          HG23      VAL  72  10.611  -0.323   2.931
  544    H    GLY  73           HN       GLY  73   9.656   2.903   5.498
  545    HA2  GLY  73           HA2      GLY  73   7.054   3.111   6.810
  546    HA3  GLY  73           HA1      GLY  73   8.612   3.569   7.500
  547    H    ASN  74           HN       ASN  74   9.485   5.270   5.376
  548    HA   ASN  74           HA       ASN  74   7.956   7.622   5.996
  549    HB2  ASN  74           HB2      ASN  74  10.278   7.134   4.128
  550    HB3  ASN  74           HB1      ASN  74   9.471   8.695   4.228
  551   HD21  ASN  74          HD21      ASN  74  11.639   6.497   5.730
  552   HD22  ASN  74          HD22      ASN  74  12.112   7.526   7.044
  553    H    ILE  75           HN       ILE  75   8.072   5.286   3.446
  554    HA   ILE  75           HA       ILE  75   6.577   6.795   1.540
  555    HB   ILE  75           HB       ILE  75   6.947   3.805   1.741
  556   HG12  ILE  75          HG12      ILE  75   9.090   4.971   1.513
  557   HG13  ILE  75          HG11      ILE  75   8.690   4.107   0.029
  558   HG21  ILE  75          HG21      ILE  75   6.001   5.522  -0.544
  559   HG22  ILE  75          HG22      ILE  75   5.030   4.383   0.390
  560   HG23  ILE  75          HG23      ILE  75   6.338   3.794  -0.635
  561   HD11  ILE  75          HD11      ILE  75   9.624   6.276  -0.463
  562   HD12  ILE  75          HD12      ILE  75   8.382   7.059   0.510
  563   HD13  ILE  75          HD13      ILE  75   7.937   6.209  -0.970
  564    H    SER  76           HN       SER  76   5.696   3.911   3.446
  565    HA   SER  76           HA       SER  76   3.053   3.897   2.577
  566    HB2  SER  76           HB2      SER  76   4.037   2.691   5.146
  567    HB3  SER  76           HB1      SER  76   2.667   2.164   4.167
  568    HG   SER  76           HG       SER  76   5.394   1.766   3.788
  569    H    ASN  77           HN       ASN  77   4.413   5.088   5.593
  570    HA   ASN  77           HA       ASN  77   1.804   5.768   6.535
  571    HB2  ASN  77           HB2      ASN  77   4.520   6.170   7.714
  572    HB3  ASN  77           HB1      ASN  77   3.094   6.958   8.391
  573   HD21  ASN  77          HD21      ASN  77   1.235   4.900   7.820
  574   HD22  ASN  77          HD22      ASN  77   1.573   3.565   8.865
  575    H    ASP  78           HN       ASP  78   4.105   7.534   4.614
  576    HA   ASP  78           HA       ASP  78   3.014  10.104   5.007
  577    HB2  ASP  78           HB2      ASP  78   4.578   8.844   2.954
  578    HB3  ASP  78           HB1      ASP  78   3.292   9.781   2.216
  579    H    ILE  79           HN       ILE  79   2.038   7.416   2.986
  580    HA   ILE  79           HA       ILE  79  -0.317   8.412   1.916
  581    HB   ILE  79           HB       ILE  79   0.282   5.573   2.777
  582   HG12  ILE  79          HG12      ILE  79   0.645   6.886   0.072
  583   HG13  ILE  79          HG11      ILE  79   1.949   6.586   1.221
  584   HG21  ILE  79          HG21      ILE  79  -2.094   5.899   2.369
  585   HG22  ILE  79          HG22      ILE  79  -1.371   4.906   1.104
  586   HG23  ILE  79          HG23      ILE  79  -1.741   6.602   0.790
  587   HD11  ILE  79          HD11      ILE  79   0.248   4.502  -0.131
  588   HD12  ILE  79          HD12      ILE  79   1.510   4.177   1.058
  589   HD13  ILE  79          HD13      ILE  79   1.928   4.894  -0.498
  590    H    ASN  80           HN       ASN  80   0.450   7.499   5.157
  591    HA   ASN  80           HA       ASN  80  -2.335   7.247   5.885
  592    HB2  ASN  80           HB2      ASN  80   0.103   7.188   7.671
  593    HB3  ASN  80           HB1      ASN  80  -1.543   6.918   8.215
  594   HD21  ASN  80          HD21      ASN  80   0.013   5.666   5.298
  595   HD22  ASN  80          HD22      ASN  80  -0.057   4.012   5.790
  596    H    LYS  81           HN       LYS  81   0.293   9.550   6.262
  597    HA   LYS  81           HA       LYS  81  -0.986  11.334   7.972
  598    HB2  LYS  81           HB2      LYS  81   0.894  11.879   5.666
  599    HB3  LYS  81           HB1      LYS  81   0.359  13.120   6.797
  600    HG2  LYS  81           HG2      LYS  81   1.309  11.726   8.645
  601    HG3  LYS  81           HG1      LYS  81   1.993  10.669   7.410
  602    HD2  LYS  81           HD2      LYS  81   2.549  13.627   7.592
  603    HD3  LYS  81           HD1      LYS  81   3.574  12.387   8.315
  604    HE2  LYS  81           HE2      LYS  81   3.909  11.400   6.089
  605    HE3  LYS  81           HE1      LYS  81   2.925  12.682   5.384
  606    HZ1  LYS  81           HZ1      LYS  81   5.284  13.143   5.169
  607    HZ2  LYS  81           HZ2      LYS  81   5.481  13.067   6.846
  608    HZ3  LYS  81           HZ3      LYS  81   4.543  14.296   6.161
  609    H    LEU  82           HN       LEU  82  -1.268  10.841   4.520
  610    HA   LEU  82           HA       LEU  82  -3.066  12.888   3.874
  611    HB2  LEU  82           HB2      LEU  82  -3.399  10.199   2.633
  612    HB3  LEU  82           HB1      LEU  82  -3.372  11.781   1.874
  613    HG   LEU  82           HG       LEU  82  -0.970  10.190   2.844
  614   HD11  LEU  82          HD11      LEU  82  -1.916  11.011   0.077
  615   HD12  LEU  82          HD12      LEU  82  -1.975   9.385   0.754
  616   HD13  LEU  82          HD13      LEU  82  -0.419  10.156   0.441
  617   HD21  LEU  82          HD21      LEU  82  -0.620  12.599   3.191
  618   HD22  LEU  82          HD22      LEU  82  -1.107  12.931   1.529
  619   HD23  LEU  82          HD23      LEU  82   0.364  12.014   1.851
  620    H    ASN  83           HN       ASN  83  -3.458   9.956   5.615
  621    HA   ASN  83           HA       ASN  83  -5.221   8.521   5.996
  622    HB2  ASN  83           HB2      ASN  83  -5.466  10.999   7.382
  623    HB3  ASN  83           HB1      ASN  83  -7.080  10.388   7.024
  624   HD21  ASN  83          HD21      ASN  83  -4.256   8.340   7.461
  625   HD22  ASN  83          HD22      ASN  83  -4.789   7.595   8.936
  626    H    ILE  84           HN       ILE  84  -5.896   7.771   4.082
  627    HA   ILE  84           HA       ILE  84  -7.247   9.367   2.191
  628    HB   ILE  84           HB       ILE  84  -7.002   6.369   2.226
  629   HG12  ILE  84          HG12      ILE  84  -4.831   7.512   2.374
  630   HG13  ILE  84          HG11      ILE  84  -5.048   6.738   0.803
  631   HG21  ILE  84          HG21      ILE  84  -8.717   7.180   0.687
  632   HG22  ILE  84          HG22      ILE  84  -7.322   6.579  -0.208
  633   HG23  ILE  84          HG23      ILE  84  -7.567   8.316  -0.018
  634   HD11  ILE  84          HD11      ILE  84  -4.050   8.883   0.472
  635   HD12  ILE  84          HD12      ILE  84  -5.319   9.663   1.415
  636   HD13  ILE  84          HD13      ILE  84  -5.705   8.923  -0.138
  637    H    LYS  85           HN       LYS  85  -9.112  10.131   3.022
  638    HA   LYS  85           HA       LYS  85 -11.378   8.574   3.598
  639    HB2  LYS  85           HB2      LYS  85 -12.662  10.567   2.852
  640    HB3  LYS  85           HB1      LYS  85 -11.344  10.982   3.942
  641    HG2  LYS  85           HG2      LYS  85 -10.781  11.133   0.982
  642    HG3  LYS  85           HG1      LYS  85 -11.719  12.420   1.772
  643    HD2  LYS  85           HD2      LYS  85  -9.816  13.322   2.486
  644    HD3  LYS  85           HD1      LYS  85  -9.484  11.867   3.422
  645    HE2  LYS  85           HE2      LYS  85  -7.616  12.344   1.962
  646    HE3  LYS  85           HE1      LYS  85  -8.405  10.856   1.428
  647    HZ1  LYS  85           HZ1      LYS  85  -7.863  12.290  -0.432
  648    HZ2  LYS  85           HZ2      LYS  85  -8.763  13.556   0.227
  649    HZ3  LYS  85           HZ3      LYS  85  -9.540  12.145  -0.289
  650    H    GLY  86           HN       GLY  86 -12.517   7.236   2.288
  651    HA2  GLY  86           HA2      GLY  86 -13.161   7.488  -0.347
  652    HA3  GLY  86           HA1      GLY  86 -11.533   6.805  -0.380
  653    HA   PRO  87           HA       PRO  87 -14.830   3.523   0.561
  654    HB2  PRO  87           HB2      PRO  87 -15.652   2.675  -1.835
  655    HB3  PRO  87           HB1      PRO  87 -16.356   4.115  -1.082
  656    HG2  PRO  87           HG2      PRO  87 -14.249   3.923  -3.204
  657    HG3  PRO  87           HG1      PRO  87 -15.658   5.002  -3.128
  658    HD2  PRO  87           HD2      PRO  87 -13.116   5.751  -2.410
  659    HD3  PRO  87           HD1      PRO  87 -14.588   6.488  -1.740
  660    H    TYR  88           HN       TYR  88 -13.079   3.090  -2.538
  661    HA   TYR  88           HA       TYR  88 -11.650   0.886  -1.294
  662    HB2  TYR  88           HB2      TYR  88 -11.764  -0.278  -3.571
  663    HB3  TYR  88           HB1      TYR  88 -13.208  -0.315  -2.561
  664    HD1  TYR  88           HD1      TYR  88 -11.701   1.015  -5.630
  665    HD2  TYR  88           HD2      TYR  88 -15.207   0.900  -3.225
  666    HE1  TYR  88           HE1      TYR  88 -13.013   1.903  -7.508
  667    HE2  TYR  88           HE2      TYR  88 -16.527   1.792  -5.098
  668    HH   TYR  88           HH       TYR  88 -15.369   1.903  -8.268
  669    H    ILE  89           HN       ILE  89  -9.542   0.644  -1.864
  670    HA   ILE  89           HA       ILE  89  -8.448   2.852  -3.469
  671    HB   ILE  89           HB       ILE  89  -7.247   1.714  -0.940
  672   HG12  ILE  89          HG12      ILE  89  -8.574   4.387  -1.415
  673   HG13  ILE  89          HG11      ILE  89  -9.329   3.029  -0.578
  674   HG21  ILE  89          HG21      ILE  89  -6.436   4.079  -2.633
  675   HG22  ILE  89          HG22      ILE  89  -5.582   2.541  -2.528
  676   HG23  ILE  89          HG23      ILE  89  -5.683   3.591  -1.115
  677   HD11  ILE  89          HD11      ILE  89  -8.444   4.698   0.970
  678   HD12  ILE  89          HD12      ILE  89  -6.826   4.444   0.312
  679   HD13  ILE  89          HD13      ILE  89  -7.651   3.135   1.159
  680    H    GLU  90           HN       GLU  90  -6.888   2.394  -4.852
  681    HA   GLU  90           HA       GLU  90  -6.262  -0.409  -5.325
  682    HB2  GLU  90           HB2      GLU  90  -5.720   2.102  -6.891
  683    HB3  GLU  90           HB1      GLU  90  -5.304   0.482  -7.433
  684    HG2  GLU  90           HG2      GLU  90  -8.108   1.323  -6.753
  685    HG3  GLU  90           HG1      GLU  90  -7.424   1.474  -8.376
  686    H    ILE  91           HN       ILE  91  -4.677  -0.982  -3.901
  687    HA   ILE  91           HA       ILE  91  -2.185   0.579  -4.042
  688    HB   ILE  91           HB       ILE  91  -3.068  -1.320  -1.853
  689   HG12  ILE  91          HG12      ILE  91  -4.362   0.813  -1.940
  690   HG13  ILE  91          HG11      ILE  91  -3.418   0.624  -0.462
  691   HG21  ILE  91          HG21      ILE  91  -0.703  -1.337  -1.956
  692   HG22  ILE  91          HG22      ILE  91  -1.138  -0.283  -0.615
  693   HG23  ILE  91          HG23      ILE  91  -0.626   0.411  -2.154
  694   HD11  ILE  91          HD11      ILE  91  -2.704   2.329  -2.839
  695   HD12  ILE  91          HD12      ILE  91  -1.705   2.113  -1.401
  696   HD13  ILE  91          HD13      ILE  91  -3.282   2.893  -1.271
  697    H    LYS  92           HN       LYS  92  -1.176  -0.349  -5.746
  698    HA   LYS  92           HA       LYS  92   0.127  -2.830  -5.385
  699    HB2  LYS  92           HB2      LYS  92  -0.839  -4.205  -7.061
  700    HB3  LYS  92           HB1      LYS  92  -2.195  -3.616  -6.107
  701    HG2  LYS  92           HG2      LYS  92  -1.332  -2.347  -8.691
  702    HG3  LYS  92           HG1      LYS  92  -2.518  -3.656  -8.605
  703    HD2  LYS  92           HD2      LYS  92  -3.671  -2.063  -6.863
  704    HD3  LYS  92           HD1      LYS  92  -2.723  -0.821  -7.688
  705    HE2  LYS  92           HE2      LYS  92  -4.678  -2.722  -8.976
  706    HE3  LYS  92           HE1      LYS  92  -4.951  -1.010  -8.657
  707    HZ1  LYS  92           HZ1      LYS  92  -3.116  -0.501 -10.172
  708    HZ2  LYS  92           HZ2      LYS  92  -4.349  -1.356 -10.946
  709    HZ3  LYS  92           HZ3      LYS  92  -2.924  -2.149 -10.505
  710    H    GLN  93           HN       GLN  93   1.540  -3.283  -7.342
  711    HA   GLN  93           HA       GLN  93   2.517  -0.712  -8.188
  712    HB2  GLN  93           HB2      GLN  93   3.878  -2.879  -9.495
  713    HB3  GLN  93           HB1      GLN  93   4.484  -1.698  -8.336
  714    HG2  GLN  93           HG2      GLN  93   3.776  -3.087  -6.492
  715    HG3  GLN  93           HG1      GLN  93   3.070  -4.256  -7.613
  716   HE21  GLN  93          HE21      GLN  93   6.046  -2.607  -8.318
  717   HE22  GLN  93          HE22      GLN  93   7.076  -3.980  -8.137
  718    H    ILE  94           HN       ILE  94   3.388  -0.664 -10.564
  719    HA   ILE  94           HA       ILE  94   0.949  -0.839 -12.145
  720    HB   ILE  94           HB       ILE  94   3.294   0.396 -13.375
  721   HG12  ILE  94          HG12      ILE  94   1.994   1.683 -10.964
  722   HG13  ILE  94          HG11      ILE  94   3.636   1.053 -11.010
  723   HG21  ILE  94          HG21      ILE  94   1.658   2.090 -13.977
  724   HG22  ILE  94          HG22      ILE  94   0.473   1.326 -12.917
  725   HG23  ILE  94          HG23      ILE  94   1.063   0.472 -14.345
  726   HD11  ILE  94          HD11      ILE  94   3.620   3.458 -11.222
  727   HD12  ILE  94          HD12      ILE  94   2.574   3.347 -12.637
  728   HD13  ILE  94          HD13      ILE  94   4.217   2.708 -12.701
  Start of MODEL   16
    1    H    ASP   1           HT1      ASP   1 -24.553  -1.197   2.468
    2    HA   ASP   1           HA       ASP   1 -25.334  -3.372   3.189
    3    HB2  ASP   1           HB2      ASP   1 -25.371  -2.923   0.197
    4    HB3  ASP   1           HB1      ASP   1 -26.474  -3.974   1.079
    5    H    ASN   2           HN       ASN   2 -23.557  -3.897   0.132
    6    HA   ASN   2           HA       ASN   2 -23.022  -6.613   1.009
    7    HB2  ASN   2           HB2      ASN   2 -22.453  -5.275  -1.645
    8    HB3  ASN   2           HB1      ASN   2 -22.152  -6.971  -1.290
    9   HD21  ASN   2          HD21      ASN   2 -24.625  -7.098   0.352
   10   HD22  ASN   2          HD22      ASN   2 -25.915  -7.189  -0.797
   11    H    GLN   3           HN       GLN   3 -21.220  -3.700   0.131
   12    HA   GLN   3           HA       GLN   3 -18.710  -4.990   0.770
   13    HB2  GLN   3           HB2      GLN   3 -19.443  -2.170   0.009
   14    HB3  GLN   3           HB1      GLN   3 -17.828  -2.604   0.562
   15    HG2  GLN   3           HG2      GLN   3 -17.446  -4.003  -1.281
   16    HG3  GLN   3           HG1      GLN   3 -19.152  -3.971  -1.760
   17   HE21  GLN   3          HE21      GLN   3 -16.801  -3.325  -3.312
   18   HE22  GLN   3          HE22      GLN   3 -16.986  -1.687  -3.833
   19    H    LYS   4           HN       LYS   4 -20.958  -4.614   2.663
   20    HA   LYS   4           HA       LYS   4 -20.293  -2.746   4.654
   21    HB2  LYS   4           HB2      LYS   4 -22.527  -3.791   4.318
   22    HB3  LYS   4           HB1      LYS   4 -21.872  -5.310   4.907
   23    HG2  LYS   4           HG2      LYS   4 -23.112  -4.197   6.658
   24    HG3  LYS   4           HG1      LYS   4 -21.401  -4.266   7.077
   25    HD2  LYS   4           HD2      LYS   4 -21.118  -1.949   6.387
   26    HD3  LYS   4           HD1      LYS   4 -22.811  -1.872   5.900
   27    HE2  LYS   4           HE2      LYS   4 -23.452  -2.372   8.244
   28    HE3  LYS   4           HE1      LYS   4 -21.749  -2.295   8.689
   29    HZ1  LYS   4           HZ1      LYS   4 -21.708   0.005   7.933
   30    HZ2  LYS   4           HZ2      LYS   4 -22.857  -0.211   9.150
   31    HZ3  LYS   4           HZ3      LYS   4 -23.350  -0.073   7.538
   32    H    ALA   5           HN       ALA   5 -19.913  -6.316   4.668
   33    HA   ALA   5           HA       ALA   5 -17.870  -6.067   6.723
   34    HB1  ALA   5           HB1      ALA   5 -17.867  -8.507   6.780
   35    HB2  ALA   5           HB2      ALA   5 -18.983  -8.543   5.417
   36    HB3  ALA   5           HB3      ALA   5 -19.501  -7.871   6.961
   37    H    LEU   6           HN       LEU   6 -18.027  -7.993   3.780
   38    HA   LEU   6           HA       LEU   6 -15.224  -7.415   3.239
   39    HB2  LEU   6           HB2      LEU   6 -17.182  -9.202   1.792
   40    HB3  LEU   6           HB1      LEU   6 -15.492  -9.010   1.358
   41    HG   LEU   6           HG       LEU   6 -16.590 -10.261   3.873
   42   HD11  LEU   6          HD11      LEU   6 -16.663 -11.652   1.856
   43   HD12  LEU   6          HD12      LEU   6 -15.507 -12.266   3.035
   44   HD13  LEU   6          HD13      LEU   6 -14.936 -11.386   1.619
   45   HD21  LEU   6          HD21      LEU   6 -13.725  -9.711   3.108
   46   HD22  LEU   6          HD22      LEU   6 -14.249 -10.693   4.475
   47   HD23  LEU   6          HD23      LEU   6 -14.612  -8.969   4.439
   48    H    GLU   7           HN       GLU   7 -15.123  -5.342   2.558
   49    HA   GLU   7           HA       GLU   7 -16.995  -4.266   0.670
   50    HB2  GLU   7           HB2      GLU   7 -16.048  -2.877   2.427
   51    HB3  GLU   7           HB1      GLU   7 -14.425  -3.202   1.856
   52    HG2  GLU   7           HG2      GLU   7 -14.594  -1.718   0.118
   53    HG3  GLU   7           HG1      GLU   7 -16.347  -1.837   0.029
   54    H    GLU   8           HN       GLU   8 -13.852  -3.299  -0.005
   55    HA   GLU   8           HA       GLU   8 -13.391  -5.515  -1.885
   56    HB2  GLU   8           HB2      GLU   8 -12.908  -2.587  -2.351
   57    HB3  GLU   8           HB1      GLU   8 -12.037  -3.817  -3.257
   58    HG2  GLU   8           HG2      GLU   8 -14.308  -4.773  -3.854
   59    HG3  GLU   8           HG1      GLU   8 -14.986  -3.276  -3.222
   60    H    GLN   9           HN       GLN   9 -12.590  -4.536   0.907
   61    HA   GLN   9           HA       GLN   9  -9.724  -4.623   0.834
   62    HB2  GLN   9           HB2      GLN   9 -11.743  -4.775   3.056
   63    HB3  GLN   9           HB1      GLN   9 -10.023  -4.987   3.347
   64    HG2  GLN   9           HG2      GLN   9  -9.617  -2.761   2.376
   65    HG3  GLN   9           HG1      GLN   9 -11.358  -2.550   2.197
   66   HE21  GLN   9          HE21      GLN   9 -12.610  -2.170   3.990
   67   HE22  GLN   9          HE22      GLN   9 -11.936  -1.767   5.532
   68    H    MET  10           HN       MET  10 -11.406  -6.825  -0.328
   69    HA   MET  10           HA       MET  10 -11.077  -9.173   1.235
   70    HB2  MET  10           HB2      MET  10 -11.412  -8.904  -1.758
   71    HB3  MET  10           HB1      MET  10 -11.685 -10.359  -0.811
   72    HG2  MET  10           HG2      MET  10 -13.571  -9.377   0.277
   73    HG3  MET  10           HG1      MET  10 -13.237  -7.810  -0.459
   74    HE1  MET  10           HE1      MET  10 -15.695  -7.610  -1.278
   75    HE2  MET  10           HE2      MET  10 -16.146  -9.187  -0.628
   76    HE3  MET  10           HE3      MET  10 -16.513  -8.786  -2.305
   77    H    ASN  11           HN       ASN  11  -9.976 -10.797  -1.015
   78    HA   ASN  11           HA       ASN  11  -7.318 -10.962  -0.121
   79    HB2  ASN  11           HB2      ASN  11  -8.554 -12.044  -2.658
   80    HB3  ASN  11           HB1      ASN  11  -6.975 -12.507  -2.032
   81   HD21  ASN  11          HD21      ASN  11  -6.853 -13.770  -0.168
   82   HD22  ASN  11          HD22      ASN  11  -8.219 -14.637   0.443
   83    H    SER  12           HN       SER  12  -8.679  -8.724  -2.211
   84    HA   SER  12           HA       SER  12  -6.809  -8.153  -4.119
   85    HB2  SER  12           HB2      SER  12  -8.233  -6.096  -2.416
   86    HB3  SER  12           HB1      SER  12  -7.625  -5.878  -4.060
   87    HG   SER  12           HG       SER  12  -9.745  -6.320  -4.315
   88    H    ILE  13           HN       ILE  13  -6.750  -7.019  -0.707
   89    HA   ILE  13           HA       ILE  13  -4.094  -5.923  -1.192
   90    HB   ILE  13           HB       ILE  13  -4.252  -4.639   0.681
   91   HG12  ILE  13          HG12      ILE  13  -4.483  -6.533   2.279
   92   HG13  ILE  13          HG11      ILE  13  -5.445  -5.128   2.721
   93   HG21  ILE  13          HG21      ILE  13  -6.077  -3.996  -0.747
   94   HG22  ILE  13          HG22      ILE  13  -6.542  -3.783   0.942
   95   HG23  ILE  13          HG23      ILE  13  -7.142  -5.168   0.029
   96   HD11  ILE  13          HD11      ILE  13  -6.652  -7.192   3.095
   97   HD12  ILE  13          HD12      ILE  13  -6.466  -7.619   1.393
   98   HD13  ILE  13          HD13      ILE  13  -7.436  -6.218   1.851
   99    H    ASN  14           HN       ASN  14  -5.490  -8.784   0.084
  100    HA   ASN  14           HA       ASN  14  -3.389  -9.515   1.863
  101    HB2  ASN  14           HB2      ASN  14  -5.320 -11.252   0.354
  102    HB3  ASN  14           HB1      ASN  14  -4.249 -11.823   1.619
  103   HD21  ASN  14          HD21      ASN  14  -4.655 -11.234   3.761
  104   HD22  ASN  14          HD22      ASN  14  -6.196 -10.634   4.260
  105    H    SER  15           HN       SER  15  -4.113 -10.378  -1.514
  106    HA   SER  15           HA       SER  15  -1.819 -11.870  -2.054
  107    HB2  SER  15           HB2      SER  15  -3.168  -9.931  -3.953
  108    HB3  SER  15           HB1      SER  15  -2.210 -11.344  -4.392
  109    HG   SER  15           HG       SER  15  -4.788 -11.263  -4.026
  110    H    VAL  16           HN       VAL  16  -2.339  -8.420  -1.920
  111    HA   VAL  16           HA       VAL  16   0.252  -7.611  -2.742
  112    HB   VAL  16           HB       VAL  16  -1.779  -6.179  -1.003
  113   HG11  VAL  16          HG11      VAL  16   0.600  -5.059  -2.493
  114   HG12  VAL  16          HG12      VAL  16   0.500  -5.281  -0.747
  115   HG13  VAL  16          HG13      VAL  16  -0.575  -4.140  -1.551
  116   HG21  VAL  16          HG21      VAL  16  -2.647  -6.719  -3.211
  117   HG22  VAL  16          HG22      VAL  16  -1.224  -5.999  -3.964
  118   HG23  VAL  16          HG23      VAL  16  -2.356  -4.985  -3.069
  119    H    ASN  17           HN       ASN  17  -1.195  -8.499   0.370
  120    HA   ASN  17           HA       ASN  17   0.907  -7.524   2.006
  121    HB2  ASN  17           HB2      ASN  17  -1.379  -9.368   2.366
  122    HB3  ASN  17           HB1      ASN  17  -0.029  -9.615   3.464
  123   HD21  ASN  17          HD21      ASN  17  -2.587  -7.497   2.495
  124   HD22  ASN  17          HD22      ASN  17  -2.495  -6.441   3.867
  125    H    ASP  18           HN       ASP  18   0.279 -10.708   0.603
  126    HA   ASP  18           HA       ASP  18   2.546 -11.980   1.713
  127    HB2  ASP  18           HB2      ASP  18   0.740 -12.626  -0.605
  128    HB3  ASP  18           HB1      ASP  18   2.136 -13.635  -0.219
  129    H    LYS  19           HN       LYS  19   2.217  -9.788  -0.890
  130    HA   LYS  19           HA       LYS  19   4.654 -10.697  -2.201
  131    HB2  LYS  19           HB2      LYS  19   2.887 -10.032  -3.685
  132    HB3  LYS  19           HB1      LYS  19   2.685  -8.499  -2.850
  133    HG2  LYS  19           HG2      LYS  19   4.826  -7.736  -3.626
  134    HG3  LYS  19           HG1      LYS  19   5.163  -9.309  -4.359
  135    HD2  LYS  19           HD2      LYS  19   3.295  -8.988  -5.899
  136    HD3  LYS  19           HD1      LYS  19   2.936  -7.430  -5.150
  137    HE2  LYS  19           HE2      LYS  19   5.122  -6.591  -5.820
  138    HE3  LYS  19           HE1      LYS  19   5.517  -8.153  -6.531
  139    HZ1  LYS  19           HZ1      LYS  19   3.288  -6.410  -7.415
  140    HZ2  LYS  19           HZ2      LYS  19   3.771  -7.859  -8.137
  141    HZ3  LYS  19           HZ3      LYS  19   4.794  -6.511  -8.177
  142    H    LEU  20           HN       LEU  20   3.432  -7.996  -0.324
  143    HA   LEU  20           HA       LEU  20   5.917  -6.543  -0.508
  144    HB2  LEU  20           HB2      LEU  20   3.404  -6.052   1.074
  145    HB3  LEU  20           HB1      LEU  20   4.767  -4.944   1.016
  146    HG   LEU  20           HG       LEU  20   2.941  -5.719  -1.258
  147   HD11  LEU  20          HD11      LEU  20   2.068  -4.053   0.315
  148   HD12  LEU  20          HD12      LEU  20   2.360  -3.376  -1.287
  149   HD13  LEU  20          HD13      LEU  20   3.493  -3.053   0.026
  150   HD21  LEU  20          HD21      LEU  20   5.184  -5.574  -2.138
  151   HD22  LEU  20          HD22      LEU  20   5.448  -4.043  -1.305
  152   HD23  LEU  20          HD23      LEU  20   4.276  -4.141  -2.618
  153    H    ASN  21           HN       ASN  21   4.292  -8.601   1.820
  154    HA   ASN  21           HA       ASN  21   6.440  -8.175   3.751
  155    HB2  ASN  21           HB2      ASN  21   3.868  -9.763   3.886
  156    HB3  ASN  21           HB1      ASN  21   5.087  -9.796   5.159
  157   HD21  ASN  21          HD21      ASN  21   2.584  -7.931   3.630
  158   HD22  ASN  21          HD22      ASN  21   2.553  -6.647   4.793
  159    H    LYS  22           HN       LYS  22   8.097  -9.031   2.467
  160    HA   LYS  22           HA       LYS  22   7.902 -11.894   1.827
  161    HB2  LYS  22           HB2      LYS  22   9.810 -11.101   0.131
  162    HB3  LYS  22           HB1      LYS  22   8.093 -11.030  -0.258
  163    HG2  LYS  22           HG2      LYS  22   8.906  -8.959  -0.920
  164    HG3  LYS  22           HG1      LYS  22   8.167  -8.641   0.645
  165    HD2  LYS  22           HD2      LYS  22  10.699  -9.186   1.412
  166    HD3  LYS  22           HD1      LYS  22  10.993  -8.497  -0.189
  167    HE2  LYS  22           HE2      LYS  22   9.743  -7.227   2.216
  168    HE3  LYS  22           HE1      LYS  22  11.036  -6.616   1.186
  169    HZ1  LYS  22           HZ1      LYS  22   9.197  -5.370   0.595
  170    HZ2  LYS  22           HZ2      LYS  22   8.135  -6.678   0.665
  171    HZ3  LYS  22           HZ3      LYS  22   9.234  -6.557  -0.614
  172    H    GLY  23           HN       GLY  23   9.901  -9.454   3.319
  173    HA2  GLY  23           HA2      GLY  23  11.466 -11.186   4.800
  174    HA3  GLY  23           HA1      GLY  23  12.334 -10.922   3.288
  175    H    LYS  24           HN       LYS  24  12.756  -8.655   2.678
  176    HA   LYS  24           HA       LYS  24  13.644  -7.060   4.853
  177    HB2  LYS  24           HB2      LYS  24  13.243  -6.232   1.971
  178    HB3  LYS  24           HB1      LYS  24  14.205  -5.402   3.188
  179    HG2  LYS  24           HG2      LYS  24  15.788  -7.172   3.290
  180    HG3  LYS  24           HG1      LYS  24  14.783  -8.198   2.263
  181    HD2  LYS  24           HD2      LYS  24  15.050  -6.663   0.426
  182    HD3  LYS  24           HD1      LYS  24  15.984  -5.572   1.442
  183    HE2  LYS  24           HE2      LYS  24  17.437  -6.902  -0.009
  184    HE3  LYS  24           HE1      LYS  24  17.716  -7.268   1.692
  185    HZ1  LYS  24           HZ1      LYS  24  16.053  -8.900  -0.153
  186    HZ2  LYS  24           HZ2      LYS  24  16.398  -9.260   1.464
  187    HZ3  LYS  24           HZ3      LYS  24  17.636  -9.265   0.317
  188    H    GLY  25           HN       GLY  25  12.828  -4.479   3.844
  189    HA2  GLY  25           HA2      GLY  25  10.764  -3.870   5.533
  190    HA3  GLY  25           HA1      GLY  25  11.127  -2.962   4.094
  191    H    LYS  26           HN       LYS  26   8.580  -3.513   5.386
  192    HA   LYS  26           HA       LYS  26   7.268  -4.945   3.222
  193    HB2  LYS  26           HB2      LYS  26   6.272  -6.528   4.849
  194    HB3  LYS  26           HB1      LYS  26   8.030  -6.646   4.688
  195    HG2  LYS  26           HG2      LYS  26   8.096  -5.085   6.735
  196    HG3  LYS  26           HG1      LYS  26   6.426  -5.608   6.994
  197    HD2  LYS  26           HD2      LYS  26   7.525  -7.230   8.191
  198    HD3  LYS  26           HD1      LYS  26   7.517  -7.995   6.604
  199    HE2  LYS  26           HE2      LYS  26   9.764  -6.956   6.185
  200    HE3  LYS  26           HE1      LYS  26   9.757  -6.439   7.869
  201    HZ1  LYS  26           HZ1      LYS  26   9.576  -9.263   6.982
  202    HZ2  LYS  26           HZ2      LYS  26   9.667  -8.719   8.580
  203    HZ3  LYS  26           HZ3      LYS  26  10.983  -8.507   7.536
  204    H    LEU  27           HN       LEU  27   4.983  -4.753   3.213
  205    HA   LEU  27           HA       LEU  27   4.094  -2.311   4.594
  206    HB2  LEU  27           HB2      LEU  27   4.678  -2.639   1.890
  207    HB3  LEU  27           HB1      LEU  27   2.923  -2.754   1.947
  208    HG   LEU  27           HG       LEU  27   4.531  -0.448   3.053
  209   HD11  LEU  27          HD11      LEU  27   2.961  -0.680   0.489
  210   HD12  LEU  27          HD12      LEU  27   4.716  -0.573   0.623
  211   HD13  LEU  27          HD13      LEU  27   3.710   0.790   1.113
  212   HD21  LEU  27          HD21      LEU  27   2.373   0.667   3.178
  213   HD22  LEU  27          HD22      LEU  27   2.391  -0.796   4.166
  214   HD23  LEU  27          HD23      LEU  27   1.576  -0.797   2.602
  215    H    SER  28           HN       SER  28   2.485  -2.855   5.926
  216    HA   SER  28           HA       SER  28   0.557  -4.917   5.096
  217    HB2  SER  28           HB2      SER  28   1.132  -3.676   7.798
  218    HB3  SER  28           HB1      SER  28  -0.159  -4.841   7.499
  219    HG   SER  28           HG       SER  28   2.561  -5.222   7.733
  220    H    LEU  29           HN       LEU  29  -1.478  -4.340   4.534
  221    HA   LEU  29           HA       LEU  29  -2.052  -1.475   4.473
  222    HB2  LEU  29           HB2      LEU  29  -3.425  -3.680   2.960
  223    HB3  LEU  29           HB1      LEU  29  -3.534  -1.954   2.657
  224    HG   LEU  29           HG       LEU  29  -2.150  -2.661   0.974
  225   HD11  LEU  29          HD11      LEU  29  -1.099  -0.829   2.160
  226   HD12  LEU  29          HD12      LEU  29   0.105  -1.901   1.440
  227   HD13  LEU  29          HD13      LEU  29  -0.226  -1.982   3.170
  228   HD21  LEU  29          HD21      LEU  29  -0.644  -4.465   2.841
  229   HD22  LEU  29          HD22      LEU  29  -0.426  -4.325   1.099
  230   HD23  LEU  29          HD23      LEU  29  -1.927  -4.983   1.750
  231    H    SER  30           HN       SER  30  -3.736  -0.537   5.468
  232    HA   SER  30           HA       SER  30  -6.020  -2.202   6.040
  233    HB2  SER  30           HB2      SER  30  -4.722  -0.505   8.183
  234    HB3  SER  30           HB1      SER  30  -6.219  -1.423   8.362
  235    HG   SER  30           HG       SER  30  -4.447  -3.127   7.472
  236    H    MET  31           HN       MET  31  -7.915  -1.160   5.693
  237    HA   MET  31           HA       MET  31  -7.775   1.734   5.112
  238    HB2  MET  31           HB2      MET  31  -9.508  -0.267   3.651
  239    HB3  MET  31           HB1      MET  31  -9.206   1.409   3.215
  240    HG2  MET  31           HG2      MET  31  -6.930   0.908   2.651
  241    HG3  MET  31           HG1      MET  31  -7.109  -0.742   3.235
  242    HE1  MET  31           HE1      MET  31  -5.914  -0.041   0.382
  243    HE2  MET  31           HE2      MET  31  -6.716  -1.267  -0.601
  244    HE3  MET  31           HE3      MET  31  -6.114  -1.678   1.005
  245    H    ASN  32           HN       ASN  32  -9.437   2.979   5.908
  246    HA   ASN  32           HA       ASN  32 -11.888   1.677   6.787
  247    HB2  ASN  32           HB2      ASN  32 -10.455   1.578   8.788
  248    HB3  ASN  32           HB1      ASN  32 -10.210   3.322   8.697
  249   HD21  ASN  32          HD21      ASN  32 -12.477   0.775   9.412
  250   HD22  ASN  32          HD22      ASN  32 -13.633   1.770  10.239
  251    H    GLY  33           HN       GLY  33 -12.878   2.847   5.142
  252    HA2  GLY  33           HA2      GLY  33 -14.188   4.554   4.378
  253    HA3  GLY  33           HA1      GLY  33 -14.129   5.189   6.013
  254    H    ASN  34           HN       ASN  34 -12.650   6.830   6.515
  255    HA   ASN  34           HA       ASN  34 -11.538   8.180   4.159
  256    HB2  ASN  34           HB2      ASN  34 -13.397   9.278   5.592
  257    HB3  ASN  34           HB1      ASN  34 -12.126   9.537   6.778
  258   HD21  ASN  34          HD21      ASN  34 -10.032  10.016   4.801
  259   HD22  ASN  34          HD22      ASN  34 -10.369  11.592   4.133
  260    H    GLN  35           HN       GLN  35 -10.216   6.077   5.590
  261    HA   GLN  35           HA       GLN  35  -7.780   7.519   6.171
  262    HB2  GLN  35           HB2      GLN  35  -8.739   7.378   8.381
  263    HB3  GLN  35           HB1      GLN  35  -9.013   5.645   8.187
  264    HG2  GLN  35           HG2      GLN  35  -6.591   5.299   7.997
  265    HG3  GLN  35           HG1      GLN  35  -6.340   7.028   8.248
  266   HE21  GLN  35          HE21      GLN  35  -7.273   4.023   9.726
  267   HE22  GLN  35          HE22      GLN  35  -7.152   4.564  11.371
  268    H    LEU  36           HN       LEU  36  -6.031   6.519   5.540
  269    HA   LEU  36           HA       LEU  36  -6.050   3.604   5.148
  270    HB2  LEU  36           HB2      LEU  36  -5.703   5.123   3.106
  271    HB3  LEU  36           HB1      LEU  36  -4.191   5.604   3.840
  272    HG   LEU  36           HG       LEU  36  -3.927   3.923   2.046
  273   HD11  LEU  36          HD11      LEU  36  -2.425   2.423   3.214
  274   HD12  LEU  36          HD12      LEU  36  -3.135   2.891   4.759
  275   HD13  LEU  36          HD13      LEU  36  -2.242   4.075   3.805
  276   HD21  LEU  36          HD21      LEU  36  -4.622   1.634   2.389
  277   HD22  LEU  36          HD22      LEU  36  -6.016   2.714   2.413
  278   HD23  LEU  36          HD23      LEU  36  -5.372   2.070   3.923
  279    H    LYS  37           HN       LYS  37  -4.753   2.540   6.561
  280    HA   LYS  37           HA       LYS  37  -2.397   3.987   7.621
  281    HB2  LYS  37           HB2      LYS  37  -2.698   3.029   9.821
  282    HB3  LYS  37           HB1      LYS  37  -4.158   3.907   9.388
  283    HG2  LYS  37           HG2      LYS  37  -5.341   1.869   8.988
  284    HG3  LYS  37           HG1      LYS  37  -3.864   0.922   9.156
  285    HD2  LYS  37           HD2      LYS  37  -3.707   1.823  11.513
  286    HD3  LYS  37           HD1      LYS  37  -5.346   2.438  11.293
  287    HE2  LYS  37           HE2      LYS  37  -4.593  -0.449  10.899
  288    HE3  LYS  37           HE1      LYS  37  -5.147   0.200  12.440
  289    HZ1  LYS  37           HZ1      LYS  37  -6.715   0.373   9.928
  290    HZ2  LYS  37           HZ2      LYS  37  -7.240   0.743  11.492
  291    HZ3  LYS  37           HZ3      LYS  37  -6.902  -0.857  11.070
  292    H    ALA  38           HN       ALA  38  -0.874   3.031   6.535
  293    HA   ALA  38           HA       ALA  38  -0.811   0.088   6.456
  294    HB1  ALA  38           HB1      ALA  38   0.677   0.334   4.539
  295    HB2  ALA  38           HB2      ALA  38   0.603   2.089   4.689
  296    HB3  ALA  38           HB3      ALA  38  -0.845   1.177   4.259
  297    H    THR  39           HN       THR  39   0.735  -0.908   7.579
  298    HA   THR  39           HA       THR  39   2.725   0.798   8.890
  299    HB   THR  39           HB       THR  39   2.992  -1.077  10.499
  300    HG1  THR  39           HG1      THR  39   2.266  -2.758   9.120
  301   HG21  THR  39          HG21      THR  39   0.854  -0.755  11.649
  302   HG22  THR  39          HG22      THR  39   0.154  -0.094  10.173
  303   HG23  THR  39          HG23      THR  39   1.455   0.767  10.994
  304    H    SER  40           HN       SER  40   4.866   0.184   8.968
  305    HA   SER  40           HA       SER  40   5.684  -1.812   6.968
  306    HB2  SER  40           HB2      SER  40   7.703  -0.401   6.608
  307    HB3  SER  40           HB1      SER  40   6.208   0.431   6.170
  308    HG   SER  40           HG       SER  40   6.344   1.262   8.445
  309    H    SER  41           HN       SER  41   7.189  -3.275   7.605
  310    HA   SER  41           HA       SER  41   8.188  -2.954  10.336
  311    HB2  SER  41           HB2      SER  41   7.646  -5.565   8.936
  312    HB3  SER  41           HB1      SER  41   8.097  -5.349  10.624
  313    HG   SER  41           HG       SER  41   6.083  -4.009  10.702
  314    H    ASN  42           HN       ASN  42  10.093  -4.681  10.598
  315    HA   ASN  42           HA       ASN  42  12.228  -5.265  10.151
  316    HB2  ASN  42           HB2      ASN  42  11.233  -5.222   7.572
  317    HB3  ASN  42           HB1      ASN  42  12.597  -4.115   7.500
  318   HD21  ASN  42          HD21      ASN  42  14.674  -4.884   8.062
  319   HD22  ASN  42          HD22      ASN  42  15.045  -6.578   7.976
  320    H    ALA  43           HN       ALA  43  11.138  -2.583  10.934
  321    HA   ALA  43           HA       ALA  43  12.024  -0.741  11.892
  322    HB1  ALA  43           HB1      ALA  43  14.617  -2.240  11.627
  323    HB2  ALA  43           HB2      ALA  43  13.443  -2.436  12.927
  324    HB3  ALA  43           HB3      ALA  43  14.286  -0.900  12.725
  325    H    GLY  44           HN       GLY  44  11.573  -0.266   9.249
  326    HA2  GLY  44           HA2      GLY  44  11.981   1.690   8.037
  327    HA3  GLY  44           HA1      GLY  44  13.516   1.866   8.878
  328    H    TYR  45           HN       TYR  45  13.586  -1.226   7.886
  329    HA   TYR  45           HA       TYR  45  15.382  -0.751   5.760
  330    HB2  TYR  45           HB2      TYR  45  14.173  -3.121   7.039
  331    HB3  TYR  45           HB1      TYR  45  14.718  -3.342   5.378
  332    HD1  TYR  45           HD1      TYR  45  16.997  -3.777   4.957
  333    HD2  TYR  45           HD2      TYR  45  15.857  -2.103   8.705
  334    HE1  TYR  45           HE1      TYR  45  19.296  -4.034   5.766
  335    HE2  TYR  45           HE2      TYR  45  18.162  -2.360   9.520
  336    HH   TYR  45           HH       TYR  45  20.146  -3.746   9.028
  337    H    GLY  46           HN       GLY  46  15.176  -1.316   3.552
  338    HA2  GLY  46           HA2      GLY  46  12.577  -0.524   2.511
  339    HA3  GLY  46           HA1      GLY  46  14.080  -0.630   1.602
  340    H    ILE  47           HN       ILE  47  11.693  -1.581   0.646
  341    HA   ILE  47           HA       ILE  47  11.019  -4.240   0.918
  342    HB   ILE  47           HB       ILE  47  11.368  -2.648  -1.587
  343   HG12  ILE  47          HG12      ILE  47   9.785  -1.647   0.044
  344   HG13  ILE  47          HG11      ILE  47   8.993  -2.133  -1.448
  345   HG21  ILE  47          HG21      ILE  47   9.925  -5.233  -1.188
  346   HG22  ILE  47          HG22      ILE  47  11.340  -4.920  -2.195
  347   HG23  ILE  47          HG23      ILE  47   9.773  -4.223  -2.625
  348   HD11  ILE  47          HD11      ILE  47   8.157  -4.140  -0.335
  349   HD12  ILE  47          HD12      ILE  47   7.630  -2.662   0.471
  350   HD13  ILE  47          HD13      ILE  47   8.939  -3.624   1.160
  351    H    SER  48           HN       SER  48  13.209  -2.869  -1.438
  352    HA   SER  48           HA       SER  48  14.955  -5.106  -1.417
  353    HB2  SER  48           HB2      SER  48  13.004  -5.914  -2.781
  354    HB3  SER  48           HB1      SER  48  13.313  -4.589  -3.909
  355    HG   SER  48           HG       SER  48  14.351  -6.374  -4.711
  356    H    TYR  49           HN       TYR  49  16.297  -4.737  -3.706
  357    HA   TYR  49           HA       TYR  49  17.200  -1.953  -3.391
  358    HB2  TYR  49           HB2      TYR  49  18.499  -4.118  -2.621
  359    HB3  TYR  49           HB1      TYR  49  19.006  -4.144  -4.305
  360    HD1  TYR  49           HD1      TYR  49  20.159  -1.993  -5.239
  361    HD2  TYR  49           HD2      TYR  49  19.613  -2.714  -1.063
  362    HE1  TYR  49           HE1      TYR  49  21.921  -0.371  -4.722
  363    HE2  TYR  49           HE2      TYR  49  21.372  -1.085  -0.559
  364    HH   TYR  49           HH       TYR  49  23.393  -0.132  -1.735
  365    H    GLU  50           HN       GLU  50  15.240  -2.394  -5.167
  366    HA   GLU  50           HA       GLU  50  16.536  -2.100  -7.775
  367    HB2  GLU  50           HB2      GLU  50  14.213  -3.947  -7.175
  368    HB3  GLU  50           HB1      GLU  50  14.776  -3.543  -8.792
  369    HG2  GLU  50           HG2      GLU  50  16.785  -4.712  -8.503
  370    HG3  GLU  50           HG1      GLU  50  16.572  -4.803  -6.751
  371    H    ASP  51           HN       ASP  51  15.435  -0.740  -9.182
  372    HA   ASP  51           HA       ASP  51  13.566   1.032  -7.917
  373    HB2  ASP  51           HB2      ASP  51  13.624   2.282 -10.067
  374    HB3  ASP  51           HB1      ASP  51  15.226   1.998  -9.391
  375    H    LYS  52           HN       LYS  52  11.526   0.697  -7.767
  376    HA   LYS  52           HA       LYS  52  10.154  -0.860  -9.845
  377    HB2  LYS  52           HB2      LYS  52  10.442  -1.390  -7.009
  378    HB3  LYS  52           HB1      LYS  52   8.750  -1.283  -7.483
  379    HG2  LYS  52           HG2      LYS  52   9.582  -3.563  -7.566
  380    HG3  LYS  52           HG1      LYS  52   9.082  -2.994  -9.154
  381    HD2  LYS  52           HD2      LYS  52  11.321  -2.719  -9.868
  382    HD3  LYS  52           HD1      LYS  52  11.953  -2.917  -8.228
  383    HE2  LYS  52           HE2      LYS  52  11.278  -5.238  -8.216
  384    HE3  LYS  52           HE1      LYS  52  10.458  -5.051  -9.762
  385    HZ1  LYS  52           HZ1      LYS  52  12.475  -6.069 -10.254
  386    HZ2  LYS  52           HZ2      LYS  52  13.364  -5.071  -9.225
  387    HZ3  LYS  52           HZ3      LYS  52  12.728  -4.451 -10.665
  388    H    ASN  53           HN       ASN  53   8.366  -0.011 -10.604
  389    HA   ASN  53           HA       ASN  53   7.593   2.603  -9.606
  390    HB2  ASN  53           HB2      ASN  53   6.125   2.539 -11.747
  391    HB3  ASN  53           HB1      ASN  53   7.872   2.705 -11.916
  392   HD21  ASN  53          HD21      ASN  53   5.133   0.619 -12.362
  393   HD22  ASN  53          HD22      ASN  53   5.944  -0.563 -13.336
  394    H    TRP  54           HN       TRP  54   6.339   2.458  -7.930
  395    HA   TRP  54           HA       TRP  54   4.147   0.525  -7.862
  396    HB2  TRP  54           HB2      TRP  54   6.074   1.429  -6.006
  397    HB3  TRP  54           HB1      TRP  54   4.497   2.004  -5.457
  398    HD1  TRP  54           HD1      TRP  54   6.477  -1.195  -5.962
  399    HE1  TRP  54           HE1      TRP  54   5.178  -3.115  -4.800
  400    HE3  TRP  54           HE3      TRP  54   2.242   1.325  -4.943
  401    HZ2  TRP  54           HZ2      TRP  54   2.577  -3.451  -3.602
  402    HZ3  TRP  54           HZ3      TRP  54   0.403   0.212  -3.844
  403    HH2  TRP  54           HH2      TRP  54   0.566  -2.137  -3.149
  404    H    GLY  55           HN       GLY  55   2.055   1.289  -6.792
  405    HA2  GLY  55           HA2      GLY  55   1.709   4.096  -6.451
  406    HA3  GLY  55           HA1      GLY  55   1.015   3.536  -7.944
  407    H    ILE  56           HN       ILE  56  -0.448   4.812  -6.087
  408    HA   ILE  56           HA       ILE  56  -2.297   2.653  -5.270
  409    HB   ILE  56           HB       ILE  56  -1.772   5.262  -3.849
  410   HG12  ILE  56          HG12      ILE  56  -1.510   2.386  -2.990
  411   HG13  ILE  56          HG11      ILE  56  -0.175   3.422  -3.499
  412   HG21  ILE  56          HG21      ILE  56  -4.172   4.782  -3.858
  413   HG22  ILE  56          HG22      ILE  56  -3.489   4.559  -2.247
  414   HG23  ILE  56          HG23      ILE  56  -3.853   3.156  -3.253
  415   HD11  ILE  56          HD11      ILE  56  -0.517   4.868  -1.605
  416   HD12  ILE  56          HD12      ILE  56  -0.328   3.200  -1.065
  417   HD13  ILE  56          HD13      ILE  56  -1.931   3.934  -1.114
  418    H    PHE  57           HN       PHE  57  -4.243   2.709  -6.104
  419    HA   PHE  57           HA       PHE  57  -5.216   5.212  -7.326
  420    HB2  PHE  57           HB2      PHE  57  -5.835   2.427  -8.323
  421    HB3  PHE  57           HB1      PHE  57  -6.227   3.950  -9.104
  422    HD1  PHE  57           HD1      PHE  57  -3.492   1.639  -8.243
  423    HD2  PHE  57           HD2      PHE  57  -4.666   5.052 -10.498
  424    HE1  PHE  57           HE1      PHE  57  -1.403   1.499  -9.531
  425    HE2  PHE  57           HE2      PHE  57  -2.576   4.918 -11.788
  426    HZ   PHE  57           HZ       PHE  57  -0.945   3.141 -11.301
  427    H    VAL  58           HN       VAL  58  -6.836   5.926  -6.066
  428    HA   VAL  58           HA       VAL  58  -8.696   3.943  -4.942
  429    HB   VAL  58           HB       VAL  58  -7.655   5.502  -3.308
  430   HG11  VAL  58          HG11      VAL  58  -7.465   7.474  -4.740
  431   HG12  VAL  58          HG12      VAL  58  -8.328   7.839  -3.245
  432   HG13  VAL  58          HG13      VAL  58  -9.221   7.635  -4.753
  433   HG21  VAL  58          HG21      VAL  58  -9.686   6.061  -2.135
  434   HG22  VAL  58          HG22      VAL  58  -9.859   4.483  -2.904
  435   HG23  VAL  58          HG23      VAL  58 -10.624   5.903  -3.619
  436    H    ASN  59           HN       ASN  59 -10.688   3.788  -5.746
  437    HA   ASN  59           HA       ASN  59 -12.498   4.121  -7.088
  438    HB2  ASN  59           HB2      ASN  59 -11.958   7.020  -6.415
  439    HB3  ASN  59           HB1      ASN  59 -13.458   6.393  -7.090
  440   HD21  ASN  59          HD21      ASN  59 -12.959   7.806  -4.597
  441   HD22  ASN  59          HD22      ASN  59 -13.548   6.778  -3.340
  442    H    GLY  60           HN       GLY  60  -9.769   4.234  -8.334
  443    HA2  GLY  60           HA2      GLY  60  -9.208   4.214 -10.593
  444    HA3  GLY  60           HA1      GLY  60 -10.683   5.106 -10.944
  445    H    GLU  61           HN       GLU  61  -8.474   6.284  -8.497
  446    HA   GLU  61           HA       GLU  61  -7.137   8.031 -10.423
  447    HB2  GLU  61           HB2      GLU  61  -7.644  10.049  -9.267
  448    HB3  GLU  61           HB1      GLU  61  -9.176   9.215  -9.507
  449    HG2  GLU  61           HG2      GLU  61  -8.885   8.312  -7.164
  450    HG3  GLU  61           HG1      GLU  61  -7.576   9.477  -6.983
  451    H    LYS  62           HN       LYS  62  -5.161   8.914  -9.639
  452    HA   LYS  62           HA       LYS  62  -3.854   7.122  -7.782
  453    HB2  LYS  62           HB2      LYS  62  -2.844   9.427  -9.436
  454    HB3  LYS  62           HB1      LYS  62  -1.809   8.435  -8.411
  455    HG2  LYS  62           HG2      LYS  62  -2.517   6.453  -9.746
  456    HG3  LYS  62           HG1      LYS  62  -3.368   7.556 -10.833
  457    HD2  LYS  62           HD2      LYS  62  -0.408   7.595 -10.236
  458    HD3  LYS  62           HD1      LYS  62  -1.155   6.957 -11.701
  459    HE2  LYS  62           HE2      LYS  62  -1.315   9.821 -10.764
  460    HE3  LYS  62           HE1      LYS  62  -0.235   9.217 -12.017
  461    HZ1  LYS  62           HZ1      LYS  62  -2.232  10.242 -12.938
  462    HZ2  LYS  62           HZ2      LYS  62  -3.200   9.120 -12.127
  463    HZ3  LYS  62           HZ3      LYS  62  -2.145   8.601 -13.339
  464    H    VAL  63           HN       VAL  63  -3.181   7.566  -5.755
  465    HA   VAL  63           HA       VAL  63  -3.575  10.315  -4.772
  466    HB   VAL  63           HB       VAL  63  -4.068   9.557  -2.637
  467   HG11  VAL  63          HG11      VAL  63  -5.100   7.367  -4.421
  468   HG12  VAL  63          HG12      VAL  63  -5.843   8.951  -4.181
  469   HG13  VAL  63          HG13      VAL  63  -5.745   7.808  -2.840
  470   HG21  VAL  63          HG21      VAL  63  -2.123   8.116  -2.326
  471   HG22  VAL  63          HG22      VAL  63  -2.886   6.866  -3.308
  472   HG23  VAL  63          HG23      VAL  63  -3.598   7.330  -1.763
  473    H    TYR  64           HN       TYR  64  -1.333   7.675  -5.110
  474    HA   TYR  64           HA       TYR  64   0.911   9.322  -4.436
  475    HB2  TYR  64           HB2      TYR  64  -0.007   8.693  -2.200
  476    HB3  TYR  64           HB1      TYR  64   0.213   6.997  -2.622
  477    HD1  TYR  64           HD1      TYR  64   2.212   5.932  -2.110
  478    HD2  TYR  64           HD2      TYR  64   2.099  10.180  -2.200
  479    HE1  TYR  64           HE1      TYR  64   4.481   6.002  -1.167
  480    HE2  TYR  64           HE2      TYR  64   4.371  10.267  -1.265
  481    HH   TYR  64           HH       TYR  64   5.867   8.860   0.065
  482    H    THR  65           HN       THR  65   2.664   8.587  -5.456
  483    HA   THR  65           HA       THR  65   2.709   5.783  -6.370
  484    HB   THR  65           HB       THR  65   3.715   8.273  -7.794
  485    HG1  THR  65           HG1      THR  65   1.908   6.430  -8.905
  486   HG21  THR  65          HG21      THR  65   4.379   6.803  -9.632
  487   HG22  THR  65          HG22      THR  65   3.943   5.394  -8.665
  488   HG23  THR  65          HG23      THR  65   5.275   6.432  -8.159
  489    H    PHE  66           HN       PHE  66   4.806   4.740  -6.111
  490    HA   PHE  66           HA       PHE  66   6.981   6.342  -5.078
  491    HB2  PHE  66           HB2      PHE  66   7.176   5.229  -2.940
  492    HB3  PHE  66           HB1      PHE  66   5.598   5.980  -3.088
  493    HD1  PHE  66           HD1      PHE  66   3.608   4.683  -2.985
  494    HD2  PHE  66           HD2      PHE  66   7.409   2.774  -3.077
  495    HE1  PHE  66           HE1      PHE  66   2.558   2.565  -2.301
  496    HE2  PHE  66           HE2      PHE  66   6.365   0.650  -2.404
  497    HZ   PHE  66           HZ       PHE  66   3.942   0.547  -2.003
  498    H    ASN  67           HN       ASN  67   8.704   4.682  -4.112
  499    HA   ASN  67           HA       ASN  67   9.064   2.543  -6.112
  500    HB2  ASN  67           HB2      ASN  67  11.076   4.539  -5.043
  501    HB3  ASN  67           HB1      ASN  67  11.537   3.097  -5.942
  502   HD21  ASN  67          HD21      ASN  67   9.234   3.251  -7.739
  503   HD22  ASN  67          HD22      ASN  67   9.550   4.572  -8.811
  504    H    GLU  68           HN       GLU  68   9.585   0.606  -5.308
  505    HA   GLU  68           HA       GLU  68   9.264   0.108  -2.565
  506    HB2  GLU  68           HB2      GLU  68  10.113  -1.566  -4.883
  507    HB3  GLU  68           HB1      GLU  68  10.256  -2.213  -3.257
  508    HG2  GLU  68           HG2      GLU  68   7.887  -1.886  -2.888
  509    HG3  GLU  68           HG1      GLU  68   7.727  -1.156  -4.478
  510    H    LYS  69           HN       LYS  69  12.150   0.902  -4.289
  511    HA   LYS  69           HA       LYS  69  13.879  -0.390  -2.381
  512    HB2  LYS  69           HB2      LYS  69  15.718   0.629  -3.615
  513    HB3  LYS  69           HB1      LYS  69  14.595  -0.175  -4.703
  514    HG2  LYS  69           HG2      LYS  69  13.543   2.101  -5.056
  515    HG3  LYS  69           HG1      LYS  69  14.963   2.760  -4.248
  516    HD2  LYS  69           HD2      LYS  69  15.133   0.933  -6.635
  517    HD3  LYS  69           HD1      LYS  69  15.130   2.690  -6.758
  518    HE2  LYS  69           HE2      LYS  69  17.134   1.053  -5.212
  519    HE3  LYS  69           HE1      LYS  69  17.400   1.731  -6.816
  520    HZ1  LYS  69           HZ1      LYS  69  18.374   3.136  -5.140
  521    HZ2  LYS  69           HZ2      LYS  69  16.899   3.271  -4.329
  522    HZ3  LYS  69           HZ3      LYS  69  17.082   3.947  -5.865
  523    H    SER  70           HN       SER  70  11.988   2.256  -2.087
  524    HA   SER  70           HA       SER  70  13.903   3.849  -0.634
  525    HB2  SER  70           HB2      SER  70  10.913   4.178  -0.982
  526    HB3  SER  70           HB1      SER  70  11.975   5.346  -0.189
  527    HG   SER  70           HG       SER  70  13.003   5.713  -2.124
  528    H    THR  71           HN       THR  71  12.799   4.606   1.704
  529    HA   THR  71           HA       THR  71  12.734   2.186   3.239
  530    HB   THR  71           HB       THR  71  12.363   3.781   5.172
  531    HG1  THR  71           HG1      THR  71  13.183   5.937   3.661
  532   HG21  THR  71          HG21      THR  71  14.761   4.265   3.403
  533   HG22  THR  71          HG22      THR  71  14.595   2.992   4.612
  534   HG23  THR  71          HG23      THR  71  14.654   4.684   5.112
  535    H    VAL  72           HN       VAL  72  10.949   1.059   3.607
  536    HA   VAL  72           HA       VAL  72   8.501   1.851   2.487
  537    HB   VAL  72           HB       VAL  72   8.627  -0.336   4.532
  538   HG11  VAL  72          HG11      VAL  72   6.494   0.183   3.461
  539   HG12  VAL  72          HG12      VAL  72   7.071  -1.420   3.003
  540   HG13  VAL  72          HG13      VAL  72   7.222  -0.072   1.872
  541   HG21  VAL  72          HG21      VAL  72  10.639  -0.696   3.266
  542   HG22  VAL  72          HG22      VAL  72   9.781  -0.440   1.747
  543   HG23  VAL  72          HG23      VAL  72   9.428  -1.859   2.731
  544    H    GLY  73           HN       GLY  73   9.912   2.663   5.420
  545    HA2  GLY  73           HA2      GLY  73   7.408   2.990   6.880
  546    HA3  GLY  73           HA1      GLY  73   9.014   3.491   7.428
  547    H    ASN  74           HN       ASN  74   9.805   5.079   5.297
  548    HA   ASN  74           HA       ASN  74   8.329   7.466   5.634
  549    HB2  ASN  74           HB2      ASN  74  10.455   6.575   3.719
  550    HB3  ASN  74           HB1      ASN  74   9.593   8.076   3.413
  551   HD21  ASN  74          HD21      ASN  74  10.322   6.873   6.628
  552   HD22  ASN  74          HD22      ASN  74  11.469   8.112   7.023
  553    H    ILE  75           HN       ILE  75   8.234   4.848   3.336
  554    HA   ILE  75           HA       ILE  75   6.442   5.996   1.491
  555    HB   ILE  75           HB       ILE  75   6.948   3.096   2.166
  556   HG12  ILE  75          HG12      ILE  75   7.923   4.811  -0.135
  557   HG13  ILE  75          HG11      ILE  75   8.899   4.311   1.246
  558   HG21  ILE  75          HG21      ILE  75   5.459   4.248  -0.186
  559   HG22  ILE  75          HG22      ILE  75   4.739   3.375   1.165
  560   HG23  ILE  75          HG23      ILE  75   5.844   2.546   0.069
  561   HD11  ILE  75          HD11      ILE  75   7.675   2.482  -0.800
  562   HD12  ILE  75          HD12      ILE  75   8.661   1.983   0.571
  563   HD13  ILE  75          HD13      ILE  75   9.369   2.960  -0.713
  564    H    SER  76           HN       SER  76   5.712   3.451   3.914
  565    HA   SER  76           HA       SER  76   2.999   3.401   3.368
  566    HB2  SER  76           HB2      SER  76   4.057   2.738   6.090
  567    HB3  SER  76           HB1      SER  76   2.703   2.011   5.224
  568    HG   SER  76           HG       SER  76   5.471   1.693   4.725
  569    H    ASN  77           HN       ASN  77   4.555   4.996   6.097
  570    HA   ASN  77           HA       ASN  77   1.976   5.825   7.013
  571    HB2  ASN  77           HB2      ASN  77   4.715   6.266   8.141
  572    HB3  ASN  77           HB1      ASN  77   3.283   7.047   8.819
  573   HD21  ASN  77          HD21      ASN  77   1.521   4.859   8.179
  574   HD22  ASN  77          HD22      ASN  77   1.843   3.605   9.317
  575    H    ASP  78           HN       ASP  78   4.262   7.354   4.921
  576    HA   ASP  78           HA       ASP  78   3.147   9.968   5.189
  577    HB2  ASP  78           HB2      ASP  78   4.549   8.568   2.933
  578    HB3  ASP  78           HB1      ASP  78   3.765  10.121   2.667
  579    H    ILE  79           HN       ILE  79   2.355   7.109   3.323
  580    HA   ILE  79           HA       ILE  79   0.095   8.023   1.953
  581    HB   ILE  79           HB       ILE  79   0.570   5.263   3.113
  582   HG12  ILE  79          HG12      ILE  79   1.216   6.297   0.345
  583   HG13  ILE  79          HG11      ILE  79   2.402   6.120   1.640
  584   HG21  ILE  79          HG21      ILE  79  -1.203   6.140   0.835
  585   HG22  ILE  79          HG22      ILE  79  -1.746   5.626   2.432
  586   HG23  ILE  79          HG23      ILE  79  -0.938   4.478   1.365
  587   HD11  ILE  79          HD11      ILE  79   2.512   4.248   0.111
  588   HD12  ILE  79          HD12      ILE  79   0.803   3.905   0.378
  589   HD13  ILE  79          HD13      ILE  79   1.956   3.714   1.696
  590    H    ASN  80           HN       ASN  80   0.638   7.268   5.264
  591    HA   ASN  80           HA       ASN  80  -2.124   7.001   5.937
  592    HB2  ASN  80           HB2      ASN  80   0.362   7.238   7.627
  593    HB3  ASN  80           HB1      ASN  80  -1.248   7.121   8.323
  594   HD21  ASN  80          HD21      ASN  80  -0.494   5.265   9.374
  595   HD22  ASN  80          HD22      ASN  80  -0.391   3.752   8.553
  596    H    LYS  81           HN       LYS  81   0.273   9.564   6.066
  597    HA   LYS  81           HA       LYS  81  -1.168  11.398   7.606
  598    HB2  LYS  81           HB2      LYS  81   0.536  12.031   5.183
  599    HB3  LYS  81           HB1      LYS  81   0.100  13.151   6.471
  600    HG2  LYS  81           HG2      LYS  81   1.855  10.717   6.727
  601    HG3  LYS  81           HG1      LYS  81   2.379  12.401   6.739
  602    HD2  LYS  81           HD2      LYS  81   0.547  11.133   8.776
  603    HD3  LYS  81           HD1      LYS  81   2.272  11.415   8.998
  604    HE2  LYS  81           HE2      LYS  81   1.897  13.827   8.722
  605    HE3  LYS  81           HE1      LYS  81   0.169  13.527   8.543
  606    HZ1  LYS  81           HZ1      LYS  81   0.701  14.197  10.790
  607    HZ2  LYS  81           HZ2      LYS  81   1.797  12.919  10.950
  608    HZ3  LYS  81           HZ3      LYS  81   0.147  12.599  10.781
  609    H    LEU  82           HN       LEU  82  -1.357  10.489   4.260
  610    HA   LEU  82           HA       LEU  82  -3.062  12.412   3.229
  611    HB2  LEU  82           HB2      LEU  82  -3.348   9.535   2.452
  612    HB3  LEU  82           HB1      LEU  82  -3.377  10.966   1.433
  613    HG   LEU  82           HG       LEU  82  -0.924   9.693   2.697
  614   HD11  LEU  82          HD11      LEU  82  -1.806   8.465   0.787
  615   HD12  LEU  82          HD12      LEU  82  -0.305   9.280   0.344
  616   HD13  LEU  82          HD13      LEU  82  -1.856   9.940  -0.177
  617   HD21  LEU  82          HD21      LEU  82  -0.707  12.134   2.629
  618   HD22  LEU  82          HD22      LEU  82  -1.160  12.145   0.924
  619   HD23  LEU  82          HD23      LEU  82   0.344  11.379   1.431
  620    H    ASN  83           HN       ASN  83  -3.747   9.674   5.288
  621    HA   ASN  83           HA       ASN  83  -5.673   8.411   5.587
  622    HB2  ASN  83           HB2      ASN  83  -6.333  11.201   6.470
  623    HB3  ASN  83           HB1      ASN  83  -7.462   9.871   6.701
  624   HD21  ASN  83          HD21      ASN  83  -5.153   7.948   7.124
  625   HD22  ASN  83          HD22      ASN  83  -4.617   8.284   8.735
  626    H    ILE  84           HN       ILE  84  -6.104   7.749   3.528
  627    HA   ILE  84           HA       ILE  84  -7.225   9.354   1.523
  628    HB   ILE  84           HB       ILE  84  -7.311   6.349   1.625
  629   HG12  ILE  84          HG12      ILE  84  -5.064   8.196   0.821
  630   HG13  ILE  84          HG11      ILE  84  -5.081   7.094   2.211
  631   HG21  ILE  84          HG21      ILE  84  -7.117   8.288  -0.681
  632   HG22  ILE  84          HG22      ILE  84  -8.561   7.393  -0.206
  633   HG23  ILE  84          HG23      ILE  84  -7.146   6.529  -0.807
  634   HD11  ILE  84          HD11      ILE  84  -3.771   6.215   0.323
  635   HD12  ILE  84          HD12      ILE  84  -5.222   6.246  -0.683
  636   HD13  ILE  84          HD13      ILE  84  -5.144   5.185   0.722
  637    H    LYS  85           HN       LYS  85  -9.202   9.685   0.836
  638    HA   LYS  85           HA       LYS  85 -11.443   8.546   2.316
  639    HB2  LYS  85           HB2      LYS  85 -12.796  10.249   1.140
  640    HB3  LYS  85           HB1      LYS  85 -11.452  10.963   2.028
  641    HG2  LYS  85           HG2      LYS  85 -10.387  10.495  -0.507
  642    HG3  LYS  85           HG1      LYS  85 -12.036  11.067  -0.805
  643    HD2  LYS  85           HD2      LYS  85 -10.530  12.950  -0.747
  644    HD3  LYS  85           HD1      LYS  85 -11.599  13.009   0.653
  645    HE2  LYS  85           HE2      LYS  85  -9.829  12.066   2.051
  646    HE3  LYS  85           HE1      LYS  85  -8.752  11.979   0.654
  647    HZ1  LYS  85           HZ1      LYS  85  -9.901  14.459   1.832
  648    HZ2  LYS  85           HZ2      LYS  85  -8.900  14.401   0.469
  649    HZ3  LYS  85           HZ3      LYS  85  -8.300  13.939   1.981
  650    H    GLY  86           HN       GLY  86 -12.237   6.686   1.546
  651    HA2  GLY  86           HA2      GLY  86 -13.245   6.394  -1.028
  652    HA3  GLY  86           HA1      GLY  86 -11.601   5.765  -1.046
  653    HA   PRO  87           HA       PRO  87 -14.535   2.592   0.911
  654    HB2  PRO  87           HB2      PRO  87 -15.914   1.506  -1.102
  655    HB3  PRO  87           HB1      PRO  87 -16.480   2.988  -0.312
  656    HG2  PRO  87           HG2      PRO  87 -14.940   2.677  -2.870
  657    HG3  PRO  87           HG1      PRO  87 -16.389   3.664  -2.558
  658    HD2  PRO  87           HD2      PRO  87 -13.866   4.687  -2.550
  659    HD3  PRO  87           HD1      PRO  87 -15.174   5.335  -1.534
  660    H    TYR  88           HN       TYR  88 -13.177   2.390  -2.387
  661    HA   TYR  88           HA       TYR  88 -11.759  -0.009  -1.506
  662    HB2  TYR  88           HB2      TYR  88 -11.863  -0.802  -3.900
  663    HB3  TYR  88           HB1      TYR  88 -13.389  -0.832  -3.017
  664    HD1  TYR  88           HD1      TYR  88 -11.496   0.794  -5.716
  665    HD2  TYR  88           HD2      TYR  88 -15.207   0.639  -3.647
  666    HE1  TYR  88           HE1      TYR  88 -12.542   2.111  -7.506
  667    HE2  TYR  88           HE2      TYR  88 -16.262   1.961  -5.430
  668    HH   TYR  88           HH       TYR  88 -15.627   3.531  -7.172
  669    H    ILE  89           HN       ILE  89  -9.632   0.005  -1.755
  670    HA   ILE  89           HA       ILE  89  -8.462   2.168  -3.368
  671    HB   ILE  89           HB       ILE  89  -7.508   1.150  -0.687
  672   HG12  ILE  89          HG12      ILE  89  -8.549   3.851  -1.549
  673   HG13  ILE  89          HG11      ILE  89  -9.455   2.666  -0.610
  674   HG21  ILE  89          HG21      ILE  89  -6.297   3.245  -2.491
  675   HG22  ILE  89          HG22      ILE  89  -5.623   1.649  -2.157
  676   HG23  ILE  89          HG23      ILE  89  -5.748   2.842  -0.863
  677   HD11  ILE  89          HD11      ILE  89  -7.860   2.872   1.213
  678   HD12  ILE  89          HD12      ILE  89  -8.562   4.437   0.800
  679   HD13  ILE  89          HD13      ILE  89  -6.927   4.038   0.275
  680    H    GLU  90           HN       GLU  90  -7.177   1.485  -4.906
  681    HA   GLU  90           HA       GLU  90  -6.274  -1.282  -4.911
  682    HB2  GLU  90           HB2      GLU  90  -6.074   0.872  -7.011
  683    HB3  GLU  90           HB1      GLU  90  -5.634  -0.818  -7.230
  684    HG2  GLU  90           HG2      GLU  90  -8.396   0.151  -6.518
  685    HG3  GLU  90           HG1      GLU  90  -7.855  -0.196  -8.165
  686    H    ILE  91           HN       ILE  91  -4.380  -1.713  -4.041
  687    HA   ILE  91           HA       ILE  91  -2.273   0.311  -4.272
  688    HB   ILE  91           HB       ILE  91  -3.172  -0.127  -1.953
  689   HG12  ILE  91          HG12      ILE  91  -0.266  -0.861  -2.151
  690   HG13  ILE  91          HG11      ILE  91  -0.850   0.755  -2.522
  691   HG21  ILE  91          HG21      ILE  91  -3.508  -2.529  -2.122
  692   HG22  ILE  91          HG22      ILE  91  -2.457  -2.121  -0.767
  693   HG23  ILE  91          HG23      ILE  91  -1.763  -2.769  -2.254
  694   HD11  ILE  91          HD11      ILE  91  -1.721   0.961  -0.263
  695   HD12  ILE  91          HD12      ILE  91   0.007   0.604  -0.256
  696   HD13  ILE  91          HD13      ILE  91  -1.160  -0.669   0.104
  697    H    LYS  92           HN       LYS  92  -1.007  -0.275  -5.912
  698    HA   LYS  92           HA       LYS  92   0.214  -2.868  -6.067
  699    HB2  LYS  92           HB2      LYS  92  -0.800  -3.492  -8.247
  700    HB3  LYS  92           HB1      LYS  92  -1.980  -3.468  -6.941
  701    HG2  LYS  92           HG2      LYS  92  -3.214  -2.322  -8.437
  702    HG3  LYS  92           HG1      LYS  92  -2.257  -0.954  -7.861
  703    HD2  LYS  92           HD2      LYS  92  -2.273  -0.913 -10.259
  704    HD3  LYS  92           HD1      LYS  92  -0.656  -1.371  -9.725
  705    HE2  LYS  92           HE2      LYS  92  -1.271  -3.754 -10.102
  706    HE3  LYS  92           HE1      LYS  92  -2.813  -3.208 -10.764
  707    HZ1  LYS  92           HZ1      LYS  92  -0.111  -2.613 -11.847
  708    HZ2  LYS  92           HZ2      LYS  92  -1.554  -1.964 -12.452
  709    HZ3  LYS  92           HZ3      LYS  92  -1.277  -3.629 -12.536
  710    H    GLN  93           HN       GLN  93   1.746  -2.999  -7.882
  711    HA   GLN  93           HA       GLN  93   2.622  -0.337  -8.654
  712    HB2  GLN  93           HB2      GLN  93   4.531  -1.822  -9.743
  713    HB3  GLN  93           HB1      GLN  93   4.541  -1.356  -8.050
  714    HG2  GLN  93           HG2      GLN  93   3.586  -3.527  -7.455
  715    HG3  GLN  93           HG1      GLN  93   3.575  -3.984  -9.161
  716   HE21  GLN  93          HE21      GLN  93   6.165  -2.076  -7.861
  717   HE22  GLN  93          HE22      GLN  93   7.357  -3.330  -7.838
  718    H    ILE  94           HN       ILE  94   3.542  -0.130 -10.890
  719    HA   ILE  94           HA       ILE  94   1.284  -0.826 -12.639
  720    HB   ILE  94           HB       ILE  94   2.157   1.382 -13.800
  721   HG12  ILE  94          HG12      ILE  94   3.239   1.503 -10.986
  722   HG13  ILE  94          HG11      ILE  94   4.080   1.845 -12.493
  723   HG21  ILE  94          HG21      ILE  94   0.552   1.375 -11.253
  724   HG22  ILE  94          HG22      ILE  94  -0.067   1.030 -12.869
  725   HG23  ILE  94          HG23      ILE  94   0.541   2.639 -12.483
  726   HD11  ILE  94          HD11      ILE  94   1.925   3.533 -11.257
  727   HD12  ILE  94          HD12      ILE  94   2.802   3.893 -12.746
  728   HD13  ILE  94          HD13      ILE  94   3.656   3.853 -11.201
  Start of MODEL   17
    1    H    ASP   1           HT1      ASP   1 -23.141  -3.933   7.957
    2    HA   ASP   1           HA       ASP   1 -21.504  -2.419   7.143
    3    HB2  ASP   1           HB2      ASP   1 -21.013  -1.542   9.511
    4    HB3  ASP   1           HB1      ASP   1 -19.934  -2.923   9.673
    5    H    ASN   2           HN       ASN   2 -20.376  -3.536   5.668
    6    HA   ASN   2           HA       ASN   2 -19.153  -6.079   6.453
    7    HB2  ASN   2           HB2      ASN   2 -21.227  -5.702   4.323
    8    HB3  ASN   2           HB1      ASN   2 -19.993  -6.943   4.127
    9   HD21  ASN   2          HD21      ASN   2 -22.802  -7.325   4.380
   10   HD22  ASN   2          HD22      ASN   2 -23.059  -8.284   5.799
   11    H    GLN   3           HN       GLN   3 -19.121  -3.235   4.579
   12    HA   GLN   3           HA       GLN   3 -17.080  -3.907   2.745
   13    HB2  GLN   3           HB2      GLN   3 -18.010  -1.334   3.981
   14    HB3  GLN   3           HB1      GLN   3 -16.579  -1.363   2.969
   15    HG2  GLN   3           HG2      GLN   3 -18.675  -0.713   1.821
   16    HG3  GLN   3           HG1      GLN   3 -17.811  -2.060   1.084
   17   HE21  GLN   3          HE21      GLN   3 -20.636  -1.082   2.857
   18   HE22  GLN   3          HE22      GLN   3 -21.546  -2.532   2.606
   19    H    LYS   4           HN       LYS   4 -17.199  -3.176   6.076
   20    HA   LYS   4           HA       LYS   4 -14.539  -2.679   6.720
   21    HB2  LYS   4           HB2      LYS   4 -16.777  -2.811   8.144
   22    HB3  LYS   4           HB1      LYS   4 -16.208  -4.446   8.455
   23    HG2  LYS   4           HG2      LYS   4 -14.054  -3.512   9.255
   24    HG3  LYS   4           HG1      LYS   4 -14.739  -1.896   9.089
   25    HD2  LYS   4           HD2      LYS   4 -15.882  -4.082  10.826
   26    HD3  LYS   4           HD1      LYS   4 -14.841  -2.780  11.403
   27    HE2  LYS   4           HE2      LYS   4 -16.510  -1.144  10.610
   28    HE3  LYS   4           HE1      LYS   4 -17.560  -2.477  10.133
   29    HZ1  LYS   4           HZ1      LYS   4 -17.646  -3.189  12.435
   30    HZ2  LYS   4           HZ2      LYS   4 -18.166  -1.587  12.295
   31    HZ3  LYS   4           HZ3      LYS   4 -16.622  -1.922  12.893
   32    H    ALA   5           HN       ALA   5 -16.216  -5.682   6.029
   33    HA   ALA   5           HA       ALA   5 -13.842  -7.255   6.605
   34    HB1  ALA   5           HB1      ALA   5 -15.976  -8.079   7.430
   35    HB2  ALA   5           HB2      ALA   5 -15.262  -9.199   6.271
   36    HB3  ALA   5           HB3      ALA   5 -16.589  -8.148   5.779
   37    H    LEU   6           HN       LEU   6 -16.016  -6.630   3.912
   38    HA   LEU   6           HA       LEU   6 -14.356  -8.244   2.151
   39    HB2  LEU   6           HB2      LEU   6 -17.111  -7.095   1.912
   40    HB3  LEU   6           HB1      LEU   6 -16.258  -7.661   0.488
   41    HG   LEU   6           HG       LEU   6 -17.736  -9.389   1.220
   42   HD11  LEU   6          HD11      LEU   6 -16.219 -11.232   1.544
   43   HD12  LEU   6          HD12      LEU   6 -14.941 -10.131   2.056
   44   HD13  LEU   6          HD13      LEU   6 -15.531 -10.084   0.394
   45   HD21  LEU   6          HD21      LEU   6 -16.401  -9.225   3.917
   46   HD22  LEU   6          HD22      LEU   6 -17.625 -10.400   3.434
   47   HD23  LEU   6          HD23      LEU   6 -18.037  -8.688   3.534
   48    H    GLU   7           HN       GLU   7 -16.121  -5.273   1.347
   49    HA   GLU   7           HA       GLU   7 -14.835  -4.963  -1.056
   50    HB2  GLU   7           HB2      GLU   7 -16.055  -2.742   0.568
   51    HB3  GLU   7           HB1      GLU   7 -15.791  -2.740  -1.169
   52    HG2  GLU   7           HG2      GLU   7 -17.675  -4.505   0.370
   53    HG3  GLU   7           HG1      GLU   7 -18.103  -3.173  -0.701
   54    H    GLU   8           HN       GLU   8 -14.202  -2.919   1.806
   55    HA   GLU   8           HA       GLU   8 -12.261  -1.350   0.499
   56    HB2  GLU   8           HB2      GLU   8 -12.434  -1.774   3.479
   57    HB3  GLU   8           HB1      GLU   8 -11.839  -0.357   2.627
   58    HG2  GLU   8           HG2      GLU   8 -14.075   0.143   1.840
   59    HG3  GLU   8           HG1      GLU   8 -14.689  -1.317   2.609
   60    H    GLN   9           HN       GLN   9 -12.020  -4.505   1.665
   61    HA   GLN   9           HA       GLN   9  -9.089  -4.290   1.884
   62    HB2  GLN   9           HB2      GLN   9 -10.782  -6.259   3.420
   63    HB3  GLN   9           HB1      GLN   9  -9.051  -6.012   3.570
   64    HG2  GLN   9           HG2      GLN   9  -9.941  -4.961   5.436
   65    HG3  GLN   9           HG1      GLN   9  -9.644  -3.636   4.309
   66   HE21  GLN   9          HE21      GLN   9 -11.192  -2.336   5.331
   67   HE22  GLN   9          HE22      GLN   9 -12.887  -2.621   5.118
   68    H    MET  10           HN       MET  10 -10.980  -5.097  -0.380
   69    HA   MET  10           HA       MET  10 -11.037  -7.869  -0.623
   70    HB2  MET  10           HB2      MET  10 -11.190  -5.711  -2.704
   71    HB3  MET  10           HB1      MET  10 -11.331  -7.412  -3.117
   72    HG2  MET  10           HG2      MET  10 -13.120  -5.930  -1.209
   73    HG3  MET  10           HG1      MET  10 -13.504  -6.311  -2.885
   74    HE1  MET  10           HE1      MET  10 -13.826 -10.193  -2.830
   75    HE2  MET  10           HE2      MET  10 -12.342  -9.309  -3.176
   76    HE3  MET  10           HE3      MET  10 -13.882  -8.723  -3.804
   77    H    ASN  11           HN       ASN  11 -10.051  -9.106  -2.504
   78    HA   ASN  11           HA       ASN  11  -7.492  -9.634  -1.539
   79    HB2  ASN  11           HB2      ASN  11  -8.774 -10.607  -4.093
   80    HB3  ASN  11           HB1      ASN  11  -7.329 -11.292  -3.363
   81   HD21  ASN  11          HD21      ASN  11  -8.369 -10.903  -0.636
   82   HD22  ASN  11          HD22      ASN  11  -9.562 -12.136  -0.418
   83    H    SER  12           HN       SER  12  -8.430  -7.525  -4.103
   84    HA   SER  12           HA       SER  12  -6.165  -7.385  -5.670
   85    HB2  SER  12           HB2      SER  12  -7.839  -5.049  -4.711
   86    HB3  SER  12           HB1      SER  12  -6.821  -5.083  -6.155
   87    HG   SER  12           HG       SER  12  -9.312  -5.672  -6.100
   88    H    ILE  13           HN       ILE  13  -6.761  -5.863  -2.521
   89    HA   ILE  13           HA       ILE  13  -4.103  -4.692  -2.505
   90    HB   ILE  13           HB       ILE  13  -5.705  -3.263  -1.551
   91   HG12  ILE  13          HG12      ILE  13  -3.989  -4.627   0.479
   92   HG13  ILE  13          HG11      ILE  13  -3.862  -3.000  -0.187
   93   HG21  ILE  13          HG21      ILE  13  -6.654  -5.576   0.118
   94   HG22  ILE  13          HG22      ILE  13  -7.526  -4.771  -1.188
   95   HG23  ILE  13          HG23      ILE  13  -7.192  -3.908   0.315
   96   HD11  ILE  13          HD11      ILE  13  -6.078  -3.876   1.644
   97   HD12  ILE  13          HD12      ILE  13  -5.667  -2.232   1.145
   98   HD13  ILE  13          HD13      ILE  13  -4.578  -3.127   2.203
   99    H    ASN  14           HN       ASN  14  -5.784  -7.431  -1.116
  100    HA   ASN  14           HA       ASN  14  -4.012  -7.976   1.018
  101    HB2  ASN  14           HB2      ASN  14  -5.647  -9.950  -0.534
  102    HB3  ASN  14           HB1      ASN  14  -4.981 -10.191   1.070
  103   HD21  ASN  14          HD21      ASN  14  -5.623  -7.507   1.972
  104   HD22  ASN  14          HD22      ASN  14  -7.341  -7.475   2.198
  105    H    SER  15           HN       SER  15  -4.149  -9.219  -2.305
  106    HA   SER  15           HA       SER  15  -1.999 -11.012  -2.088
  107    HB2  SER  15           HB2      SER  15  -2.833  -9.437  -4.540
  108    HB3  SER  15           HB1      SER  15  -1.923 -10.949  -4.521
  109    HG   SER  15           HG       SER  15  -4.070 -11.448  -3.137
  110    H    VAL  16           HN       VAL  16  -2.126  -7.583  -2.299
  111    HA   VAL  16           HA       VAL  16   0.694  -7.287  -2.865
  112    HB   VAL  16           HB       VAL  16  -1.324  -5.212  -1.982
  113   HG11  VAL  16          HG11      VAL  16   0.938  -4.499  -1.526
  114   HG12  VAL  16          HG12      VAL  16   0.325  -3.625  -2.929
  115   HG13  VAL  16          HG13      VAL  16   1.449  -4.962  -3.149
  116   HG21  VAL  16          HG21      VAL  16  -1.938  -6.250  -4.112
  117   HG22  VAL  16          HG22      VAL  16  -0.327  -5.911  -4.747
  118   HG23  VAL  16          HG23      VAL  16  -1.415  -4.583  -4.343
  119    H    ASN  17           HN       ASN  17  -1.494  -7.282  -0.095
  120    HA   ASN  17           HA       ASN  17   0.226  -6.186   1.850
  121    HB2  ASN  17           HB2      ASN  17  -1.790  -8.438   2.184
  122    HB3  ASN  17           HB1      ASN  17  -1.054  -7.539   3.502
  123   HD21  ASN  17          HD21      ASN  17  -1.219  -5.023   1.947
  124   HD22  ASN  17          HD22      ASN  17  -2.881  -4.549   2.038
  125    H    ASP  18           HN       ASP  18  -0.240  -9.508   0.747
  126    HA   ASP  18           HA       ASP  18   1.878 -10.572   2.371
  127    HB2  ASP  18           HB2      ASP  18  -0.008 -11.692   0.335
  128    HB3  ASP  18           HB1      ASP  18   1.406 -12.629   0.813
  129    H    LYS  19           HN       LYS  19   1.754  -9.040  -0.667
  130    HA   LYS  19           HA       LYS  19   4.007 -10.455  -1.795
  131    HB2  LYS  19           HB2      LYS  19   2.255  -9.455  -3.253
  132    HB3  LYS  19           HB1      LYS  19   2.745  -7.858  -2.700
  133    HG2  LYS  19           HG2      LYS  19   5.003  -8.273  -3.611
  134    HG3  LYS  19           HG1      LYS  19   4.428  -9.815  -4.251
  135    HD2  LYS  19           HD2      LYS  19   2.757  -8.603  -5.597
  136    HD3  LYS  19           HD1      LYS  19   3.395  -7.075  -4.984
  137    HE2  LYS  19           HE2      LYS  19   4.889  -9.120  -6.624
  138    HE3  LYS  19           HE1      LYS  19   4.314  -7.549  -7.178
  139    HZ1  LYS  19           HZ1      LYS  19   5.811  -6.475  -5.628
  140    HZ2  LYS  19           HZ2      LYS  19   6.679  -7.520  -6.636
  141    HZ3  LYS  19           HZ3      LYS  19   6.339  -7.975  -5.047
  142    H    LEU  20           HN       LEU  20   3.331  -7.361  -0.296
  143    HA   LEU  20           HA       LEU  20   5.967  -6.330  -0.496
  144    HB2  LEU  20           HB2      LEU  20   3.662  -5.639   1.316
  145    HB3  LEU  20           HB1      LEU  20   5.141  -4.695   1.205
  146    HG   LEU  20           HG       LEU  20   3.136  -5.144  -1.017
  147   HD11  LEU  20          HD11      LEU  20   3.838  -2.645   0.513
  148   HD12  LEU  20          HD12      LEU  20   2.398  -3.626   0.775
  149   HD13  LEU  20          HD13      LEU  20   2.632  -2.800  -0.763
  150   HD21  LEU  20          HD21      LEU  20   5.692  -3.535  -0.975
  151   HD22  LEU  20          HD22      LEU  20   4.495  -3.516  -2.268
  152   HD23  LEU  20          HD23      LEU  20   5.388  -4.993  -1.917
  153    H    ASN  21           HN       ASN  21   4.218  -8.152   1.946
  154    HA   ASN  21           HA       ASN  21   6.436  -8.153   3.788
  155    HB2  ASN  21           HB2      ASN  21   3.737  -9.486   3.730
  156    HB3  ASN  21           HB1      ASN  21   4.955  -9.972   4.908
  157   HD21  ASN  21          HD21      ASN  21   2.735  -7.460   3.934
  158   HD22  ASN  21          HD22      ASN  21   2.916  -6.495   5.361
  159    H    LYS  22           HN       LYS  22   8.028  -8.933   2.277
  160    HA   LYS  22           HA       LYS  22   7.743 -11.777   1.573
  161    HB2  LYS  22           HB2      LYS  22   9.443 -11.018  -0.303
  162    HB3  LYS  22           HB1      LYS  22   7.705 -10.835  -0.499
  163    HG2  LYS  22           HG2      LYS  22   8.667  -8.821  -1.235
  164    HG3  LYS  22           HG1      LYS  22   7.968  -8.480   0.345
  165    HD2  LYS  22           HD2      LYS  22  10.213  -8.703   1.353
  166    HD3  LYS  22           HD1      LYS  22  10.886  -8.970  -0.259
  167    HE2  LYS  22           HE2      LYS  22   9.623  -6.476   0.852
  168    HE3  LYS  22           HE1      LYS  22  11.235  -6.678   0.184
  169    HZ1  LYS  22           HZ1      LYS  22   9.763  -5.557  -1.388
  170    HZ2  LYS  22           HZ2      LYS  22   8.701  -6.867  -1.366
  171    HZ3  LYS  22           HZ3      LYS  22  10.255  -7.052  -1.999
  172    H    GLY  23           HN       GLY  23   9.313 -10.021   3.733
  173    HA2  GLY  23           HA2      GLY  23  11.014 -11.480   4.918
  174    HA3  GLY  23           HA1      GLY  23  11.871 -11.448   3.376
  175    H    LYS  24           HN       LYS  24  12.369  -9.246   2.538
  176    HA   LYS  24           HA       LYS  24  13.397  -7.546   4.632
  177    HB2  LYS  24           HB2      LYS  24  13.551  -7.544   1.649
  178    HB3  LYS  24           HB1      LYS  24  13.952  -6.074   2.525
  179    HG2  LYS  24           HG2      LYS  24  15.604  -7.396   3.830
  180    HG3  LYS  24           HG1      LYS  24  15.275  -8.763   2.765
  181    HD2  LYS  24           HD2      LYS  24  15.834  -7.204   0.856
  182    HD3  LYS  24           HD1      LYS  24  16.451  -6.091   2.069
  183    HE2  LYS  24           HE2      LYS  24  18.214  -7.526   1.063
  184    HE3  LYS  24           HE1      LYS  24  18.081  -7.675   2.814
  185    HZ1  LYS  24           HZ1      LYS  24  16.870  -9.724   2.541
  186    HZ2  LYS  24           HZ2      LYS  24  18.330  -9.824   1.698
  187    HZ3  LYS  24           HZ3      LYS  24  16.890  -9.564   0.859
  188    H    GLY  25           HN       GLY  25  12.952  -5.050   3.174
  189    HA2  GLY  25           HA2      GLY  25  11.061  -4.030   4.823
  190    HA3  GLY  25           HA1      GLY  25  11.408  -3.333   3.280
  191    H    LYS  26           HN       LYS  26   8.984  -3.573   4.929
  192    HA   LYS  26           HA       LYS  26   7.243  -4.770   2.928
  193    HB2  LYS  26           HB2      LYS  26   6.241  -6.260   4.623
  194    HB3  LYS  26           HB1      LYS  26   7.948  -6.595   4.291
  195    HG2  LYS  26           HG2      LYS  26   8.443  -5.137   6.328
  196    HG3  LYS  26           HG1      LYS  26   6.733  -5.345   6.734
  197    HD2  LYS  26           HD2      LYS  26   8.050  -7.041   7.870
  198    HD3  LYS  26           HD1      LYS  26   7.063  -7.806   6.626
  199    HE2  LYS  26           HE2      LYS  26   8.895  -8.090   5.201
  200    HE3  LYS  26           HE1      LYS  26   9.899  -6.949   6.105
  201    HZ1  LYS  26           HZ1      LYS  26  10.589  -9.183   6.578
  202    HZ2  LYS  26           HZ2      LYS  26   9.014  -9.656   6.978
  203    HZ3  LYS  26           HZ3      LYS  26   9.843  -8.569   7.966
  204    H    LEU  27           HN       LEU  27   4.931  -4.484   3.486
  205    HA   LEU  27           HA       LEU  27   4.452  -2.075   5.088
  206    HB2  LEU  27           HB2      LEU  27   4.851  -1.950   2.382
  207    HB3  LEU  27           HB1      LEU  27   3.108  -2.156   2.454
  208    HG   LEU  27           HG       LEU  27   4.682   0.055   3.776
  209   HD11  LEU  27          HD11      LEU  27   2.848   0.078   1.386
  210   HD12  LEU  27          HD12      LEU  27   4.599   0.279   1.357
  211   HD13  LEU  27          HD13      LEU  27   3.585   1.495   2.133
  212   HD21  LEU  27          HD21      LEU  27   2.748  -0.475   5.095
  213   HD22  LEU  27          HD22      LEU  27   1.729  -0.489   3.658
  214   HD23  LEU  27          HD23      LEU  27   2.448   1.022   4.211
  215    H    SER  28           HN       SER  28   2.595  -2.270   6.232
  216    HA   SER  28           HA       SER  28   0.748  -4.445   5.504
  217    HB2  SER  28           HB2      SER  28   1.815  -4.456   7.792
  218    HB3  SER  28           HB1      SER  28   0.942  -2.964   8.144
  219    HG   SER  28           HG       SER  28  -0.473  -5.199   7.206
  220    H    LEU  29           HN       LEU  29  -0.876  -3.647   4.262
  221    HA   LEU  29           HA       LEU  29  -1.838  -0.919   4.645
  222    HB2  LEU  29           HB2      LEU  29  -2.561  -2.976   2.565
  223    HB3  LEU  29           HB1      LEU  29  -3.078  -1.300   2.571
  224    HG   LEU  29           HG       LEU  29  -1.387  -1.413   0.984
  225   HD11  LEU  29          HD11      LEU  29   0.476  -0.115   1.923
  226   HD12  LEU  29          HD12      LEU  29  -0.174  -0.429   3.531
  227   HD13  LEU  29          HD13      LEU  29  -1.116   0.501   2.367
  228   HD21  LEU  29          HD21      LEU  29   0.319  -2.942   2.926
  229   HD22  LEU  29          HD22      LEU  29   0.817  -2.398   1.326
  230   HD23  LEU  29          HD23      LEU  29  -0.469  -3.592   1.489
  231    H    SER  30           HN       SER  30  -3.689  -0.405   5.668
  232    HA   SER  30           HA       SER  30  -5.832  -2.348   5.478
  233    HB2  SER  30           HB2      SER  30  -5.025  -1.111   8.124
  234    HB3  SER  30           HB1      SER  30  -6.359  -2.239   7.862
  235    HG   SER  30           HG       SER  30  -4.300  -3.449   6.859
  236    H    MET  31           HN       MET  31  -7.783  -1.407   5.091
  237    HA   MET  31           HA       MET  31  -7.963   1.524   5.365
  238    HB2  MET  31           HB2      MET  31  -8.876  -0.083   2.967
  239    HB3  MET  31           HB1      MET  31  -9.018   1.657   3.161
  240    HG2  MET  31           HG2      MET  31  -6.550   1.803   3.227
  241    HG3  MET  31           HG1      MET  31  -6.473   0.076   2.904
  242    HE1  MET  31           HE1      MET  31  -8.862  -0.325   0.813
  243    HE2  MET  31           HE2      MET  31  -7.263  -1.050   0.665
  244    HE3  MET  31           HE3      MET  31  -7.961  -0.172  -0.696
  245    H    ASN  32           HN       ASN  32  -9.792   2.187   6.343
  246    HA   ASN  32           HA       ASN  32 -12.278   0.753   5.890
  247    HB2  ASN  32           HB2      ASN  32 -11.427  -0.389   7.865
  248    HB3  ASN  32           HB1      ASN  32 -11.161   1.153   8.674
  249   HD21  ASN  32          HD21      ASN  32 -13.973   0.207   6.728
  250   HD22  ASN  32          HD22      ASN  32 -15.106   0.310   8.044
  251    H    GLY  33           HN       GLY  33 -13.408   2.429   5.059
  252    HA2  GLY  33           HA2      GLY  33 -14.654   4.353   5.061
  253    HA3  GLY  33           HA1      GLY  33 -14.480   4.363   6.807
  254    H    ASN  34           HN       ASN  34 -12.979   5.757   7.758
  255    HA   ASN  34           HA       ASN  34 -11.538   7.537   5.896
  256    HB2  ASN  34           HB2      ASN  34 -13.586   8.461   7.217
  257    HB3  ASN  34           HB1      ASN  34 -12.498   8.441   8.599
  258   HD21  ASN  34          HD21      ASN  34 -10.180   9.055   6.760
  259   HD22  ASN  34          HD22      ASN  34 -10.336  10.760   6.443
  260    H    GLN  35           HN       GLN  35 -10.562   5.101   7.207
  261    HA   GLN  35           HA       GLN  35  -8.463   6.330   8.862
  262    HB2  GLN  35           HB2      GLN  35  -8.442   4.511  10.375
  263    HB3  GLN  35           HB1      GLN  35 -10.133   4.963  10.183
  264    HG2  GLN  35           HG2      GLN  35 -10.430   3.114   8.597
  265    HG3  GLN  35           HG1      GLN  35  -8.748   2.643   8.857
  266   HE21  GLN  35          HE21      GLN  35  -9.320   0.625   9.672
  267   HE22  GLN  35          HE22      GLN  35 -10.020   0.428  11.249
  268    H    LEU  36           HN       LEU  36  -6.472   6.000   8.180
  269    HA   LEU  36           HA       LEU  36  -5.879   3.488   6.778
  270    HB2  LEU  36           HB2      LEU  36  -5.904   5.562   5.255
  271    HB3  LEU  36           HB1      LEU  36  -4.468   6.068   6.110
  272    HG   LEU  36           HG       LEU  36  -3.960   4.999   3.945
  273   HD11  LEU  36          HD11      LEU  36  -2.337   3.304   4.752
  274   HD12  LEU  36          HD12      LEU  36  -3.031   3.470   6.365
  275   HD13  LEU  36          HD13      LEU  36  -2.243   4.848   5.598
  276   HD21  LEU  36          HD21      LEU  36  -4.390   2.696   3.532
  277   HD22  LEU  36          HD22      LEU  36  -5.913   3.463   3.985
  278   HD23  LEU  36          HD23      LEU  36  -5.044   2.470   5.153
  279    H    LYS  37           HN       LYS  37  -4.377   2.371   7.781
  280    HA   LYS  37           HA       LYS  37  -2.175   3.832   8.988
  281    HB2  LYS  37           HB2      LYS  37  -2.202   2.443  11.048
  282    HB3  LYS  37           HB1      LYS  37  -3.596   3.505  10.933
  283    HG2  LYS  37           HG2      LYS  37  -3.739   0.618  10.129
  284    HG3  LYS  37           HG1      LYS  37  -3.959   1.135  11.800
  285    HD2  LYS  37           HD2      LYS  37  -5.703   2.777  10.761
  286    HD3  LYS  37           HD1      LYS  37  -5.679   1.645   9.408
  287    HE2  LYS  37           HE2      LYS  37  -6.299   0.978  12.285
  288    HE3  LYS  37           HE1      LYS  37  -7.467   1.101  10.972
  289    HZ1  LYS  37           HZ1      LYS  37  -6.442  -0.783   9.902
  290    HZ2  LYS  37           HZ2      LYS  37  -6.854  -1.196  11.488
  291    HZ3  LYS  37           HZ3      LYS  37  -5.244  -0.866  11.095
  292    H    ALA  38           HN       ALA  38  -0.336   2.851   8.595
  293    HA   ALA  38           HA       ALA  38  -0.289   0.125   7.579
  294    HB1  ALA  38           HB1      ALA  38   0.726   0.772   5.465
  295    HB2  ALA  38           HB2      ALA  38   0.586   2.476   5.894
  296    HB3  ALA  38           HB3      ALA  38  -0.866   1.512   5.625
  297    H    THR  39           HN       THR  39   1.375  -0.793   8.472
  298    HA   THR  39           HA       THR  39   3.558   0.894   9.445
  299    HB   THR  39           HB       THR  39   4.114  -1.056  10.895
  300    HG1  THR  39           HG1      THR  39   3.168  -2.695   9.647
  301   HG21  THR  39          HG21      THR  39   2.719   0.753  11.765
  302   HG22  THR  39          HG22      THR  39   2.202  -0.801  12.420
  303   HG23  THR  39          HG23      THR  39   1.278  -0.037  11.127
  304    H    SER  40           HN       SER  40   5.694   0.284   9.137
  305    HA   SER  40           HA       SER  40   6.159  -1.731   7.045
  306    HB2  SER  40           HB2      SER  40   6.692   0.552   6.295
  307    HB3  SER  40           HB1      SER  40   7.777   0.736   7.671
  308    HG   SER  40           HG       SER  40   8.055  -1.316   5.741
  309    H    SER  41           HN       SER  41   7.069  -3.478   7.840
  310    HA   SER  41           HA       SER  41   8.577  -3.243  10.314
  311    HB2  SER  41           HB2      SER  41   6.760  -4.914  10.225
  312    HB3  SER  41           HB1      SER  41   7.582  -5.721   8.902
  313    HG   SER  41           HG       SER  41   8.074  -5.798  11.600
  314    H    ASN  42           HN       ASN  42  10.355  -5.185  10.266
  315    HA   ASN  42           HA       ASN  42  12.504  -5.615   9.688
  316    HB2  ASN  42           HB2      ASN  42  11.348  -5.425   7.161
  317    HB3  ASN  42           HB1      ASN  42  12.677  -4.272   7.103
  318   HD21  ASN  42          HD21      ASN  42  12.547  -7.249   8.979
  319   HD22  ASN  42          HD22      ASN  42  13.840  -8.042   8.139
  320    H    ALA  43           HN       ALA  43  11.496  -3.278  10.971
  321    HA   ALA  43           HA       ALA  43  12.282  -1.399  11.948
  322    HB1  ALA  43           HB1      ALA  43  14.921  -2.241  10.770
  323    HB2  ALA  43           HB2      ALA  43  14.258  -2.788  12.308
  324    HB3  ALA  43           HB3      ALA  43  14.684  -1.091  12.086
  325    H    GLY  44           HN       GLY  44  11.222  -1.213   9.232
  326    HA2  GLY  44           HA2      GLY  44  10.789   0.580   7.838
  327    HA3  GLY  44           HA1      GLY  44  11.937   1.525   8.781
  328    H    TYR  45           HN       TYR  45  13.208  -1.419   7.632
  329    HA   TYR  45           HA       TYR  45  15.024  -0.120   5.880
  330    HB2  TYR  45           HB2      TYR  45  14.431  -2.975   6.546
  331    HB3  TYR  45           HB1      TYR  45  15.419  -2.612   5.133
  332    HD1  TYR  45           HD1      TYR  45  16.983  -0.309   6.060
  333    HD2  TYR  45           HD2      TYR  45  15.942  -3.891   8.120
  334    HE1  TYR  45           HE1      TYR  45  18.981  -0.083   7.465
  335    HE2  TYR  45           HE2      TYR  45  17.937  -3.660   9.529
  336    HH   TYR  45           HH       TYR  45  20.175  -2.566   9.385
  337    H    GLY  46           HN       GLY  46  15.333  -0.929   3.606
  338    HA2  GLY  46           HA2      GLY  46  12.811  -0.535   2.211
  339    HA3  GLY  46           HA1      GLY  46  14.422  -0.437   1.508
  340    H    ILE  47           HN       ILE  47  13.048  -1.684  -0.091
  341    HA   ILE  47           HA       ILE  47  12.234  -4.337   0.367
  342    HB   ILE  47           HB       ILE  47  13.142  -3.052  -2.178
  343   HG12  ILE  47          HG12      ILE  47  11.359  -1.732  -1.412
  344   HG13  ILE  47          HG11      ILE  47  10.582  -2.876  -2.503
  345   HG21  ILE  47          HG21      ILE  47  13.118  -5.422  -2.457
  346   HG22  ILE  47          HG22      ILE  47  11.710  -4.754  -3.285
  347   HG23  ILE  47          HG23      ILE  47  11.520  -5.544  -1.721
  348   HD11  ILE  47          HD11      ILE  47  10.607  -2.977   0.504
  349   HD12  ILE  47          HD12      ILE  47   9.931  -4.228  -0.535
  350   HD13  ILE  47          HD13      ILE  47   9.237  -2.608  -0.542
  351    H    SER  48           HN       SER  48  15.023  -3.133  -1.468
  352    HA   SER  48           HA       SER  48  16.720  -5.129  -0.534
  353    HB2  SER  48           HB2      SER  48  15.169  -6.535  -1.902
  354    HB3  SER  48           HB1      SER  48  15.692  -5.628  -3.326
  355    HG   SER  48           HG       SER  48  16.863  -7.728  -2.179
  356    H    TYR  49           HN       TYR  49  16.389  -4.016  -3.877
  357    HA   TYR  49           HA       TYR  49  18.526  -2.102  -3.598
  358    HB2  TYR  49           HB2      TYR  49  19.839  -4.118  -3.670
  359    HB3  TYR  49           HB1      TYR  49  18.949  -4.719  -5.053
  360    HD1  TYR  49           HD1      TYR  49  21.573  -2.422  -3.916
  361    HD2  TYR  49           HD2      TYR  49  19.412  -3.784  -7.345
  362    HE1  TYR  49           HE1      TYR  49  23.232  -1.378  -5.390
  363    HE2  TYR  49           HE2      TYR  49  21.079  -2.745  -8.800
  364    HH   TYR  49           HH       TYR  49  22.727  -0.986  -8.747
  365    H    GLU  50           HN       GLU  50  16.582  -4.056  -5.826
  366    HA   GLU  50           HA       GLU  50  16.938  -2.211  -7.992
  367    HB2  GLU  50           HB2      GLU  50  14.920  -4.440  -7.742
  368    HB3  GLU  50           HB1      GLU  50  15.478  -3.674  -9.227
  369    HG2  GLU  50           HG2      GLU  50  17.650  -4.617  -8.988
  370    HG3  GLU  50           HG1      GLU  50  17.271  -5.207  -7.364
  371    H    ASP  51           HN       ASP  51  15.341  -0.940  -8.975
  372    HA   ASP  51           HA       ASP  51  13.352   0.065  -7.078
  373    HB2  ASP  51           HB2      ASP  51  13.226   2.043  -8.554
  374    HB3  ASP  51           HB1      ASP  51  14.866   1.745  -7.986
  375    H    LYS  52           HN       LYS  52  11.280  -0.331  -7.329
  376    HA   LYS  52           HA       LYS  52  10.323  -1.395  -9.903
  377    HB2  LYS  52           HB2      LYS  52   9.115  -1.741  -7.157
  378    HB3  LYS  52           HB1      LYS  52   8.444  -2.369  -8.634
  379    HG2  LYS  52           HG2      LYS  52   9.467  -4.143  -7.465
  380    HG3  LYS  52           HG1      LYS  52  10.453  -3.795  -8.881
  381    HD2  LYS  52           HD2      LYS  52  12.089  -2.669  -7.537
  382    HD3  LYS  52           HD1      LYS  52  11.047  -2.753  -6.116
  383    HE2  LYS  52           HE2      LYS  52  12.846  -4.424  -6.054
  384    HE3  LYS  52           HE1      LYS  52  11.246  -5.163  -6.069
  385    HZ1  LYS  52           HZ1      LYS  52  12.998  -4.856  -8.448
  386    HZ2  LYS  52           HZ2      LYS  52  11.498  -5.632  -8.404
  387    HZ3  LYS  52           HZ3      LYS  52  12.808  -6.281  -7.557
  388    H    ASN  53           HN       ASN  53   8.165  -0.723 -10.545
  389    HA   ASN  53           HA       ASN  53   7.649   2.019  -9.691
  390    HB2  ASN  53           HB2      ASN  53   5.992   1.879 -11.733
  391    HB3  ASN  53           HB1      ASN  53   7.718   2.128 -11.990
  392   HD21  ASN  53          HD21      ASN  53   5.069  -0.096 -12.241
  393   HD22  ASN  53          HD22      ASN  53   5.881  -1.250 -13.251
  394    H    TRP  54           HN       TRP  54   6.263   2.356  -8.202
  395    HA   TRP  54           HA       TRP  54   4.209   0.357  -7.637
  396    HB2  TRP  54           HB2      TRP  54   6.073   1.764  -6.076
  397    HB3  TRP  54           HB1      TRP  54   4.475   2.395  -5.653
  398    HD1  TRP  54           HD1      TRP  54   6.576  -0.757  -5.443
  399    HE1  TRP  54           HE1      TRP  54   5.333  -2.433  -3.901
  400    HE3  TRP  54           HE3      TRP  54   2.257   1.786  -4.957
  401    HZ2  TRP  54           HZ2      TRP  54   2.757  -2.592  -2.664
  402    HZ3  TRP  54           HZ3      TRP  54   0.446   0.863  -3.641
  403    HH2  TRP  54           HH2      TRP  54   0.695  -1.275  -2.487
  404    H    GLY  55           HN       GLY  55   2.090   1.241  -6.662
  405    HA2  GLY  55           HA2      GLY  55   1.422   3.928  -7.496
  406    HA3  GLY  55           HA1      GLY  55   0.709   2.658  -8.453
  407    H    ILE  56           HN       ILE  56  -0.414   4.755  -6.726
  408    HA   ILE  56           HA       ILE  56  -2.296   2.919  -5.355
  409    HB   ILE  56           HB       ILE  56  -1.694   5.789  -4.605
  410   HG12  ILE  56          HG12      ILE  56  -1.015   3.175  -3.252
  411   HG13  ILE  56          HG11      ILE  56   0.125   4.305  -3.988
  412   HG21  ILE  56          HG21      ILE  56  -3.137   5.316  -2.648
  413   HG22  ILE  56          HG22      ILE  56  -3.550   3.758  -3.367
  414   HG23  ILE  56          HG23      ILE  56  -4.009   5.252  -4.180
  415   HD11  ILE  56          HD11      ILE  56  -0.445   5.978  -2.304
  416   HD12  ILE  56          HD12      ILE  56   0.156   4.490  -1.573
  417   HD13  ILE  56          HD13      ILE  56  -1.573   4.844  -1.562
  418    H    PHE  57           HN       PHE  57  -4.411   3.065  -5.963
  419    HA   PHE  57           HA       PHE  57  -5.223   5.367  -7.631
  420    HB2  PHE  57           HB2      PHE  57  -6.270   2.572  -8.111
  421    HB3  PHE  57           HB1      PHE  57  -6.461   3.983  -9.127
  422    HD1  PHE  57           HD1      PHE  57  -3.825   1.689  -7.828
  423    HD2  PHE  57           HD2      PHE  57  -5.139   4.220 -10.985
  424    HE1  PHE  57           HE1      PHE  57  -1.959   0.910  -9.220
  425    HE2  PHE  57           HE2      PHE  57  -3.267   3.450 -12.383
  426    HZ   PHE  57           HZ       PHE  57  -1.679   1.788 -11.499
  427    H    VAL  58           HN       VAL  58  -7.125   6.277  -7.029
  428    HA   VAL  58           HA       VAL  58  -8.784   4.830  -5.076
  429    HB   VAL  58           HB       VAL  58  -8.780   7.767  -5.816
  430   HG11  VAL  58          HG11      VAL  58 -10.429   8.055  -4.029
  431   HG12  VAL  58          HG12      VAL  58 -10.470   6.310  -3.780
  432   HG13  VAL  58          HG13      VAL  58 -11.049   6.997  -5.297
  433   HG21  VAL  58          HG21      VAL  58  -8.039   6.389  -3.242
  434   HG22  VAL  58          HG22      VAL  58  -7.971   8.123  -3.562
  435   HG23  VAL  58          HG23      VAL  58  -6.893   7.024  -4.421
  436    H    ASN  59           HN       ASN  59 -10.436   3.749  -5.904
  437    HA   ASN  59           HA       ASN  59 -12.123   3.074  -7.269
  438    HB2  ASN  59           HB2      ASN  59 -12.406   6.062  -7.623
  439    HB3  ASN  59           HB1      ASN  59 -13.564   4.894  -8.247
  440   HD21  ASN  59          HD21      ASN  59 -13.917   7.014  -6.278
  441   HD22  ASN  59          HD22      ASN  59 -14.503   6.240  -4.849
  442    H    GLY  60           HN       GLY  60  -9.449   3.267  -8.406
  443    HA2  GLY  60           HA2      GLY  60  -8.719   2.510 -10.497
  444    HA3  GLY  60           HA1      GLY  60 -10.251   3.026 -11.191
  445    H    GLU  61           HN       GLU  61  -9.077   5.538  -9.341
  446    HA   GLU  61           HA       GLU  61  -7.823   6.771 -11.699
  447    HB2  GLU  61           HB2      GLU  61  -9.838   7.910 -10.780
  448    HB3  GLU  61           HB1      GLU  61  -8.976   8.138  -9.259
  449    HG2  GLU  61           HG2      GLU  61  -7.275   9.460 -10.457
  450    HG3  GLU  61           HG1      GLU  61  -8.216   9.285 -11.940
  451    H    LYS  62           HN       LYS  62  -5.726   7.188 -11.663
  452    HA   LYS  62           HA       LYS  62  -4.029   6.319  -9.615
  453    HB2  LYS  62           HB2      LYS  62  -3.479   6.669 -12.068
  454    HB3  LYS  62           HB1      LYS  62  -3.347   8.387 -11.708
  455    HG2  LYS  62           HG2      LYS  62  -1.157   7.442 -11.728
  456    HG3  LYS  62           HG1      LYS  62  -1.573   7.845 -10.058
  457    HD2  LYS  62           HD2      LYS  62  -2.036   5.559  -9.547
  458    HD3  LYS  62           HD1      LYS  62  -1.909   5.095 -11.244
  459    HE2  LYS  62           HE2      LYS  62   0.319   6.105  -9.483
  460    HE3  LYS  62           HE1      LYS  62   0.092   4.449 -10.040
  461    HZ1  LYS  62           HZ1      LYS  62   0.647   6.805 -11.762
  462    HZ2  LYS  62           HZ2      LYS  62   0.393   5.230 -12.320
  463    HZ3  LYS  62           HZ3      LYS  62   1.744   5.582 -11.366
  464    H    VAL  63           HN       VAL  63  -3.389   7.235  -7.766
  465    HA   VAL  63           HA       VAL  63  -3.931  10.107  -7.411
  466    HB   VAL  63           HB       VAL  63  -5.547   9.069  -6.076
  467   HG11  VAL  63          HG11      VAL  63  -4.847   6.802  -6.143
  468   HG12  VAL  63          HG12      VAL  63  -4.975   7.265  -4.445
  469   HG13  VAL  63          HG13      VAL  63  -3.393   7.163  -5.215
  470   HG21  VAL  63          HG21      VAL  63  -4.910   9.522  -3.775
  471   HG22  VAL  63          HG22      VAL  63  -4.325  10.791  -4.852
  472   HG23  VAL  63          HG23      VAL  63  -3.211   9.563  -4.245
  473    H    TYR  64           HN       TYR  64  -1.744   7.438  -6.616
  474    HA   TYR  64           HA       TYR  64   0.366   9.383  -6.137
  475    HB2  TYR  64           HB2      TYR  64  -0.671   9.001  -3.909
  476    HB3  TYR  64           HB1      TYR  64  -0.326   7.280  -4.066
  477    HD1  TYR  64           HD1      TYR  64   1.428  10.579  -4.149
  478    HD2  TYR  64           HD2      TYR  64   1.629   6.456  -3.118
  479    HE1  TYR  64           HE1      TYR  64   3.636  10.947  -3.133
  480    HE2  TYR  64           HE2      TYR  64   3.839   6.815  -2.101
  481    HH   TYR  64           HH       TYR  64   5.051   9.784  -1.312
  482    H    THR  65           HN       THR  65   2.469   8.509  -6.301
  483    HA   THR  65           HA       THR  65   2.707   5.700  -7.118
  484    HB   THR  65           HB       THR  65   3.918   8.023  -8.658
  485    HG1  THR  65           HG1      THR  65   1.791   7.994  -9.202
  486   HG21  THR  65          HG21      THR  65   5.293   6.010  -8.749
  487   HG22  THR  65          HG22      THR  65   4.548   6.337 -10.313
  488   HG23  THR  65          HG23      THR  65   3.894   5.072  -9.273
  489    H    PHE  66           HN       PHE  66   4.801   4.813  -6.555
  490    HA   PHE  66           HA       PHE  66   6.914   6.599  -5.762
  491    HB2  PHE  66           HB2      PHE  66   7.192   5.809  -3.482
  492    HB3  PHE  66           HB1      PHE  66   5.604   6.532  -3.678
  493    HD1  PHE  66           HD1      PHE  66   7.454   3.410  -3.153
  494    HD2  PHE  66           HD2      PHE  66   3.609   5.215  -3.426
  495    HE1  PHE  66           HE1      PHE  66   6.450   1.409  -2.131
  496    HE2  PHE  66           HE2      PHE  66   2.594   3.220  -2.401
  497    HZ   PHE  66           HZ       PHE  66   4.020   1.317  -1.747
  498    H    ASN  67           HN       ASN  67   8.704   5.090  -4.598
  499    HA   ASN  67           HA       ASN  67   9.048   2.781  -6.394
  500    HB2  ASN  67           HB2      ASN  67  11.046   4.767  -5.318
  501    HB3  ASN  67           HB1      ASN  67  11.547   3.195  -5.938
  502   HD21  ASN  67          HD21      ASN  67  12.717   4.111  -7.601
  503   HD22  ASN  67          HD22      ASN  67  11.960   4.835  -8.977
  504    H    GLU  68           HN       GLU  68   9.611   0.892  -5.573
  505    HA   GLU  68           HA       GLU  68   8.791   0.252  -2.990
  506    HB2  GLU  68           HB2      GLU  68   9.496  -1.101  -5.314
  507    HB3  GLU  68           HB1      GLU  68  10.578  -1.735  -4.102
  508    HG2  GLU  68           HG2      GLU  68   8.451  -2.075  -2.691
  509    HG3  GLU  68           HG1      GLU  68   7.596  -1.850  -4.217
  510    H    LYS  69           HN       LYS  69  12.079   0.576  -4.275
  511    HA   LYS  69           HA       LYS  69  13.325  -0.686  -2.063
  512    HB2  LYS  69           HB2      LYS  69  15.420   0.087  -3.059
  513    HB3  LYS  69           HB1      LYS  69  14.355  -0.614  -4.273
  514    HG2  LYS  69           HG2      LYS  69  13.644   1.611  -4.936
  515    HG3  LYS  69           HG1      LYS  69  14.715   2.315  -3.729
  516    HD2  LYS  69           HD2      LYS  69  15.729   0.506  -5.910
  517    HD3  LYS  69           HD1      LYS  69  15.610   2.257  -6.104
  518    HE2  LYS  69           HE2      LYS  69  17.163   0.868  -3.924
  519    HE3  LYS  69           HE1      LYS  69  17.865   1.491  -5.412
  520    HZ1  LYS  69           HZ1      LYS  69  18.164   3.059  -3.631
  521    HZ2  LYS  69           HZ2      LYS  69  16.504   3.097  -3.316
  522    HZ3  LYS  69           HZ3      LYS  69  17.102   3.710  -4.774
  523    H    SER  70           HN       SER  70  11.890   2.299  -2.145
  524    HA   SER  70           HA       SER  70  13.829   3.833  -0.743
  525    HB2  SER  70           HB2      SER  70  10.823   4.191  -0.910
  526    HB3  SER  70           HB1      SER  70  11.976   5.409  -0.352
  527    HG   SER  70           HG       SER  70  12.859   4.625  -2.690
  528    H    THR  71           HN       THR  71  12.710   4.834   1.545
  529    HA   THR  71           HA       THR  71  12.816   2.571   3.299
  530    HB   THR  71           HB       THR  71  12.317   4.409   5.056
  531    HG1  THR  71           HG1      THR  71  13.288   6.184   3.097
  532   HG21  THR  71          HG21      THR  71  14.523   3.420   4.741
  533   HG22  THR  71          HG22      THR  71  14.660   5.154   5.036
  534   HG23  THR  71          HG23      THR  71  14.841   4.521   3.400
  535    H    VAL  72           HN       VAL  72  11.094   1.335   3.346
  536    HA   VAL  72           HA       VAL  72   8.564   2.069   2.436
  537    HB   VAL  72           HB       VAL  72   8.979  -0.237   4.338
  538   HG11  VAL  72          HG11      VAL  72   7.365  -1.344   2.894
  539   HG12  VAL  72          HG12      VAL  72   7.269   0.099   1.881
  540   HG13  VAL  72          HG13      VAL  72   6.721   0.159   3.557
  541   HG21  VAL  72          HG21      VAL  72  10.864  -0.373   2.840
  542   HG22  VAL  72          HG22      VAL  72   9.825  -0.111   1.440
  543   HG23  VAL  72          HG23      VAL  72   9.682  -1.597   2.379
  544    H    GLY  73           HN       GLY  73  10.046   2.807   5.358
  545    HA2  GLY  73           HA2      GLY  73   7.568   2.832   6.932
  546    HA3  GLY  73           HA1      GLY  73   9.182   3.263   7.514
  547    H    ASN  74           HN       ASN  74   9.663   5.037   5.215
  548    HA   ASN  74           HA       ASN  74   8.244   7.358   6.194
  549    HB2  ASN  74           HB2      ASN  74  10.356   6.925   4.087
  550    HB3  ASN  74           HB1      ASN  74   9.559   8.482   4.292
  551   HD21  ASN  74          HD21      ASN  74  12.335   7.280   4.802
  552   HD22  ASN  74          HD22      ASN  74  12.741   7.905   6.373
  553    H    ILE  75           HN       ILE  75   8.135   5.135   3.541
  554    HA   ILE  75           HA       ILE  75   6.262   6.627   1.976
  555    HB   ILE  75           HB       ILE  75   6.858   3.665   1.900
  556   HG12  ILE  75          HG12      ILE  75   8.865   5.041   1.475
  557   HG13  ILE  75          HG11      ILE  75   8.349   4.178   0.029
  558   HG21  ILE  75          HG21      ILE  75   5.928   3.797  -0.377
  559   HG22  ILE  75          HG22      ILE  75   5.488   5.476  -0.079
  560   HG23  ILE  75          HG23      ILE  75   4.742   4.188   0.866
  561   HD11  ILE  75          HD11      ILE  75   7.856   7.080   0.641
  562   HD12  ILE  75          HD12      ILE  75   7.308   6.227  -0.802
  563   HD13  ILE  75          HD13      ILE  75   9.033   6.432  -0.499
  564    H    SER  76           HN       SER  76   6.002   3.777   4.110
  565    HA   SER  76           HA       SER  76   3.313   3.284   3.765
  566    HB2  SER  76           HB2      SER  76   3.383   2.218   6.036
  567    HB3  SER  76           HB1      SER  76   4.616   1.655   4.904
  568    HG   SER  76           HG       SER  76   6.139   2.581   6.057
  569    H    ASN  77           HN       ASN  77   4.720   5.031   6.473
  570    HA   ASN  77           HA       ASN  77   2.132   5.767   7.387
  571    HB2  ASN  77           HB2      ASN  77   4.879   6.493   8.291
  572    HB3  ASN  77           HB1      ASN  77   3.477   7.377   8.895
  573   HD21  ASN  77          HD21      ASN  77   1.636   5.222   8.879
  574   HD22  ASN  77          HD22      ASN  77   2.080   4.132  10.145
  575    H    ASP  78           HN       ASP  78   4.223   7.310   5.075
  576    HA   ASP  78           HA       ASP  78   2.920   9.822   5.046
  577    HB2  ASP  78           HB2      ASP  78   4.408   8.229   3.043
  578    HB3  ASP  78           HB1      ASP  78   3.265   9.400   2.400
  579    H    ILE  79           HN       ILE  79   2.177   6.711   3.601
  580    HA   ILE  79           HA       ILE  79  -0.197   7.354   2.305
  581    HB   ILE  79           HB       ILE  79   0.643   4.784   3.657
  582   HG12  ILE  79          HG12      ILE  79   0.654   5.637   0.750
  583   HG13  ILE  79          HG11      ILE  79   2.069   5.504   1.795
  584   HG21  ILE  79          HG21      ILE  79  -1.768   4.791   3.488
  585   HG22  ILE  79          HG22      ILE  79  -1.086   3.669   2.309
  586   HG23  ILE  79          HG23      ILE  79  -1.677   5.247   1.784
  587   HD11  ILE  79          HD11      ILE  79   1.860   3.593   0.298
  588   HD12  ILE  79          HD12      ILE  79   0.273   3.231   0.980
  589   HD13  ILE  79          HD13      ILE  79   1.715   3.108   1.987
  590    H    ASN  80           HN       ASN  80   0.523   7.209   5.665
  591    HA   ASN  80           HA       ASN  80  -2.213   6.701   6.418
  592    HB2  ASN  80           HB2      ASN  80   0.130   7.444   8.176
  593    HB3  ASN  80           HB1      ASN  80  -1.466   7.009   8.761
  594   HD21  ASN  80          HD21      ASN  80   0.317   5.477   6.139
  595   HD22  ASN  80          HD22      ASN  80   0.530   3.962   6.945
  596    H    LYS  81           HN       LYS  81  -0.019   9.460   6.377
  597    HA   LYS  81           HA       LYS  81  -1.753  11.206   7.746
  598    HB2  LYS  81           HB2      LYS  81  -0.416  13.024   6.851
  599    HB3  LYS  81           HB1      LYS  81   0.632  11.709   7.373
  600    HG2  LYS  81           HG2      LYS  81   0.631  10.981   4.925
  601    HG3  LYS  81           HG1      LYS  81  -0.043  12.574   4.587
  602    HD2  LYS  81           HD2      LYS  81   2.576  11.998   5.971
  603    HD3  LYS  81           HD1      LYS  81   2.377  12.593   4.322
  604    HE2  LYS  81           HE2      LYS  81   1.370  14.637   5.163
  605    HE3  LYS  81           HE1      LYS  81   1.486  14.035   6.815
  606    HZ1  LYS  81           HZ1      LYS  81   3.764  14.634   5.009
  607    HZ2  LYS  81           HZ2      LYS  81   3.903  13.999   6.568
  608    HZ3  LYS  81           HZ3      LYS  81   3.278  15.552   6.343
  609    H    LEU  82           HN       LEU  82  -1.636  10.078   4.467
  610    HA   LEU  82           HA       LEU  82  -3.404  11.833   3.201
  611    HB2  LEU  82           HB2      LEU  82  -3.587   8.869   2.770
  612    HB3  LEU  82           HB1      LEU  82  -3.721  10.163   1.592
  613    HG   LEU  82           HG       LEU  82  -1.184   9.088   2.865
  614   HD11  LEU  82          HD11      LEU  82  -2.233   9.165   0.019
  615   HD12  LEU  82          HD12      LEU  82  -2.090   7.740   1.048
  616   HD13  LEU  82          HD13      LEU  82  -0.640   8.584   0.499
  617   HD21  LEU  82          HD21      LEU  82  -1.032  11.532   2.656
  618   HD22  LEU  82          HD22      LEU  82  -1.533  11.436   0.968
  619   HD23  LEU  82          HD23      LEU  82   0.004  10.734   1.473
  620    H    ASN  83           HN       ASN  83  -3.851   9.399   5.554
  621    HA   ASN  83           HA       ASN  83  -5.598   8.094   6.241
  622    HB2  ASN  83           HB2      ASN  83  -5.673  10.725   7.198
  623    HB3  ASN  83           HB1      ASN  83  -7.347  10.229   6.951
  624   HD21  ASN  83          HD21      ASN  83  -4.704   8.000   7.698
  625   HD22  ASN  83          HD22      ASN  83  -5.284   7.550   9.270
  626    H    ILE  84           HN       ILE  84  -6.667   6.870   5.099
  627    HA   ILE  84           HA       ILE  84  -7.788   7.139   2.682
  628    HB   ILE  84           HB       ILE  84  -7.542   5.100   4.469
  629   HG12  ILE  84          HG12      ILE  84  -8.537   3.667   2.737
  630   HG13  ILE  84          HG11      ILE  84  -9.135   5.118   1.915
  631   HG21  ILE  84          HG21      ILE  84  -9.724   4.040   4.735
  632   HG22  ILE  84          HG22      ILE  84 -10.499   5.466   4.046
  633   HG23  ILE  84          HG23      ILE  84  -9.643   5.583   5.583
  634   HD11  ILE  84          HD11      ILE  84  -7.020   4.122   0.992
  635   HD12  ILE  84          HD12      ILE  84  -6.220   4.653   2.471
  636   HD13  ILE  84          HD13      ILE  84  -6.955   5.836   1.392
  637    H    LYS  85           HN       LYS  85  -9.731   7.570   1.766
  638    HA   LYS  85           HA       LYS  85 -12.067   8.053   3.431
  639    HB2  LYS  85           HB2      LYS  85 -12.513  10.246   2.537
  640    HB3  LYS  85           HB1      LYS  85 -10.888  10.244   3.213
  641    HG2  LYS  85           HG2      LYS  85 -10.370   9.547   0.616
  642    HG3  LYS  85           HG1      LYS  85 -11.750  10.641   0.440
  643    HD2  LYS  85           HD2      LYS  85  -9.698  11.900   0.308
  644    HD3  LYS  85           HD1      LYS  85 -10.542  12.317   1.802
  645    HE2  LYS  85           HE2      LYS  85  -9.082  10.901   3.084
  646    HE3  LYS  85           HE1      LYS  85  -8.315  10.291   1.618
  647    HZ1  LYS  85           HZ1      LYS  85  -8.212  13.097   2.591
  648    HZ2  LYS  85           HZ2      LYS  85  -7.462  12.510   1.195
  649    HZ3  LYS  85           HZ3      LYS  85  -6.962  11.962   2.715
  650    H    GLY  86           HN       GLY  86 -10.938   6.232   1.313
  651    HA2  GLY  86           HA2      GLY  86 -12.931   6.624  -0.808
  652    HA3  GLY  86           HA1      GLY  86 -11.446   5.698  -0.976
  653    HA   PRO  87           HA       PRO  87 -14.974   2.847   0.402
  654    HB2  PRO  87           HB2      PRO  87 -15.983   1.975  -1.900
  655    HB3  PRO  87           HB1      PRO  87 -16.534   3.514  -1.207
  656    HG2  PRO  87           HG2      PRO  87 -14.461   3.026  -3.332
  657    HG3  PRO  87           HG1      PRO  87 -15.838   4.158  -3.372
  658    HD2  PRO  87           HD2      PRO  87 -13.333   4.950  -2.729
  659    HD3  PRO  87           HD1      PRO  87 -14.772   5.682  -1.983
  660    H    TYR  88           HN       TYR  88 -12.839   2.682  -2.396
  661    HA   TYR  88           HA       TYR  88 -11.486   0.456  -1.299
  662    HB2  TYR  88           HB2      TYR  88 -11.740  -0.981  -3.361
  663    HB3  TYR  88           HB1      TYR  88 -13.154  -0.905  -2.312
  664    HD1  TYR  88           HD1      TYR  88 -11.733   0.102  -5.555
  665    HD2  TYR  88           HD2      TYR  88 -15.197   0.145  -3.087
  666    HE1  TYR  88           HE1      TYR  88 -13.096   0.768  -7.489
  667    HE2  TYR  88           HE2      TYR  88 -16.568   0.812  -5.015
  668    HH   TYR  88           HH       TYR  88 -16.335   1.856  -7.167
  669    H    ILE  89           HN       ILE  89  -9.407   0.455  -1.949
  670    HA   ILE  89           HA       ILE  89  -8.685   2.283  -4.115
  671    HB   ILE  89           HB       ILE  89  -7.728   2.423  -1.258
  672   HG12  ILE  89          HG12      ILE  89  -8.957   4.464  -3.122
  673   HG13  ILE  89          HG11      ILE  89  -9.803   3.613  -1.835
  674   HG21  ILE  89          HG21      ILE  89  -6.545   3.830  -3.648
  675   HG22  ILE  89          HG22      ILE  89  -5.767   2.564  -2.700
  676   HG23  ILE  89          HG23      ILE  89  -6.121   4.126  -1.962
  677   HD11  ILE  89          HD11      ILE  89  -7.479   5.469  -1.412
  678   HD12  ILE  89          HD12      ILE  89  -8.491   4.722  -0.174
  679   HD13  ILE  89          HD13      ILE  89  -9.177   5.922  -1.267
  680    H    GLU  90           HN       GLU  90  -6.854   1.762  -5.209
  681    HA   GLU  90           HA       GLU  90  -5.963  -0.979  -4.806
  682    HB2  GLU  90           HB2      GLU  90  -5.564   0.971  -7.065
  683    HB3  GLU  90           HB1      GLU  90  -4.889  -0.651  -7.040
  684    HG2  GLU  90           HG2      GLU  90  -7.821   0.029  -6.962
  685    HG3  GLU  90           HG1      GLU  90  -6.929  -0.533  -8.376
  686    H    ILE  91           HN       ILE  91  -4.443  -1.035  -3.299
  687    HA   ILE  91           HA       ILE  91  -2.079   0.675  -3.588
  688    HB   ILE  91           HB       ILE  91  -2.820  -1.306  -1.409
  689   HG12  ILE  91          HG12      ILE  91  -4.326   0.716  -1.649
  690   HG13  ILE  91          HG11      ILE  91  -3.557   0.519  -0.074
  691   HG21  ILE  91          HG21      ILE  91  -1.104   0.270  -0.175
  692   HG22  ILE  91          HG22      ILE  91  -0.483   0.477  -1.814
  693   HG23  ILE  91          HG23      ILE  91  -0.580  -1.133  -1.098
  694   HD11  ILE  91          HD11      ILE  91  -3.555   2.840  -0.810
  695   HD12  ILE  91          HD12      ILE  91  -2.654   2.383  -2.256
  696   HD13  ILE  91          HD13      ILE  91  -1.913   2.211  -0.666
  697    H    LYS  92           HN       LYS  92  -1.000  -0.240  -5.351
  698    HA   LYS  92           HA       LYS  92   0.181  -2.881  -4.995
  699    HB2  LYS  92           HB2      LYS  92  -0.741  -3.751  -7.087
  700    HB3  LYS  92           HB1      LYS  92  -2.069  -3.291  -6.015
  701    HG2  LYS  92           HG2      LYS  92  -1.682  -0.977  -7.339
  702    HG3  LYS  92           HG1      LYS  92  -1.218  -2.138  -8.581
  703    HD2  LYS  92           HD2      LYS  92  -3.772  -2.382  -7.037
  704    HD3  LYS  92           HD1      LYS  92  -3.637  -1.399  -8.493
  705    HE2  LYS  92           HE2      LYS  92  -2.839  -3.409  -9.711
  706    HE3  LYS  92           HE1      LYS  92  -3.103  -4.359  -8.248
  707    HZ1  LYS  92           HZ1      LYS  92  -4.990  -4.656  -9.601
  708    HZ2  LYS  92           HZ2      LYS  92  -5.131  -3.005  -9.920
  709    HZ3  LYS  92           HZ3      LYS  92  -5.481  -3.592  -8.373
  710    H    GLN  93           HN       GLN  93   1.735  -3.319  -6.854
  711    HA   GLN  93           HA       GLN  93   2.655  -0.778  -7.970
  712    HB2  GLN  93           HB2      GLN  93   4.690  -2.240  -8.661
  713    HB3  GLN  93           HB1      GLN  93   4.524  -1.670  -7.006
  714    HG2  GLN  93           HG2      GLN  93   3.391  -3.939  -6.575
  715    HG3  GLN  93           HG1      GLN  93   4.116  -4.417  -8.115
  716   HE21  GLN  93          HE21      GLN  93   6.443  -2.648  -7.667
  717   HE22  GLN  93          HE22      GLN  93   7.425  -3.478  -6.493
  718    H    ILE  94           HN       ILE  94   3.646  -0.996 -10.231
  719    HA   ILE  94           HA       ILE  94   1.405  -2.081 -11.805
  720    HB   ILE  94           HB       ILE  94   1.781   0.061 -13.195
  721   HG12  ILE  94          HG12      ILE  94   3.398   0.593 -10.723
  722   HG13  ILE  94          HG11      ILE  94   3.764   0.997 -12.394
  723   HG21  ILE  94          HG21      ILE  94   0.635   0.200 -10.413
  724   HG22  ILE  94          HG22      ILE  94  -0.205  -0.352 -11.863
  725   HG23  ILE  94          HG23      ILE  94   0.292   1.334 -11.718
  726   HD11  ILE  94          HD11      ILE  94   2.056   2.766 -12.304
  727   HD12  ILE  94          HD12      ILE  94   3.346   2.993 -11.121
  728   HD13  ILE  94          HD13      ILE  94   1.777   2.373 -10.607
  Start of MODEL   18
    1    H    ASP   1           HT1      ASP   1 -20.874  -4.193  -5.827
    2    HA   ASP   1           HA       ASP   1 -21.369  -6.469  -6.407
    3    HB2  ASP   1           HB2      ASP   1 -20.581  -4.774  -8.106
    4    HB3  ASP   1           HB1      ASP   1 -18.975  -5.484  -7.967
    5    H    ASN   2           HN       ASN   2 -17.890  -5.967  -5.752
    6    HA   ASN   2           HA       ASN   2 -17.729  -8.847  -5.149
    7    HB2  ASN   2           HB2      ASN   2 -15.568  -7.111  -6.369
    8    HB3  ASN   2           HB1      ASN   2 -15.362  -8.787  -5.877
    9   HD21  ASN   2          HD21      ASN   2 -16.399 -10.416  -7.060
   10   HD22  ASN   2          HD22      ASN   2 -16.937 -10.142  -8.681
   11    H    GLN   3           HN       GLN   3 -16.740  -5.583  -4.338
   12    HA   GLN   3           HA       GLN   3 -15.349  -6.445  -1.952
   13    HB2  GLN   3           HB2      GLN   3 -16.104  -3.715  -2.979
   14    HB3  GLN   3           HB1      GLN   3 -15.319  -3.990  -1.441
   15    HG2  GLN   3           HG2      GLN   3 -13.501  -3.531  -2.704
   16    HG3  GLN   3           HG1      GLN   3 -13.586  -5.282  -2.924
   17   HE21  GLN   3          HE21      GLN   3 -14.305  -6.139  -4.868
   18   HE22  GLN   3          HE22      GLN   3 -14.454  -5.194  -6.307
   19    H    LYS   4           HN       LYS   4 -18.155  -7.041  -2.474
   20    HA   LYS   4           HA       LYS   4 -19.969  -5.598  -0.977
   21    HB2  LYS   4           HB2      LYS   4 -20.531  -7.376  -2.577
   22    HB3  LYS   4           HB1      LYS   4 -19.877  -8.578  -1.476
   23    HG2  LYS   4           HG2      LYS   4 -21.595  -7.901   0.193
   24    HG3  LYS   4           HG1      LYS   4 -22.290  -6.833  -1.028
   25    HD2  LYS   4           HD2      LYS   4 -23.555  -8.840  -1.080
   26    HD3  LYS   4           HD1      LYS   4 -22.518  -8.861  -2.506
   27    HE2  LYS   4           HE2      LYS   4 -22.499 -11.042  -1.492
   28    HE3  LYS   4           HE1      LYS   4 -20.919 -10.294  -1.269
   29    HZ1  LYS   4           HZ1      LYS   4 -21.568  -9.699   0.987
   30    HZ2  LYS   4           HZ2      LYS   4 -21.675 -11.368   0.756
   31    HZ3  LYS   4           HZ3      LYS   4 -23.076 -10.425   0.767
   32    H    ALA   5           HN       ALA   5 -17.725  -8.139   0.033
   33    HA   ALA   5           HA       ALA   5 -18.518  -7.838   2.812
   34    HB1  ALA   5           HB1      ALA   5 -17.966 -10.071   1.984
   35    HB2  ALA   5           HB2      ALA   5 -16.877  -9.575   3.279
   36    HB3  ALA   5           HB3      ALA   5 -16.335  -9.521   1.603
   37    H    LEU   6           HN       LEU   6 -15.343  -7.848   1.286
   38    HA   LEU   6           HA       LEU   6 -14.420  -5.794   3.122
   39    HB2  LEU   6           HB2      LEU   6 -12.974  -7.412   1.024
   40    HB3  LEU   6           HB1      LEU   6 -12.202  -6.188   2.019
   41    HG   LEU   6           HG       LEU   6 -13.499  -8.712   3.058
   42   HD11  LEU   6          HD11      LEU   6 -10.591  -7.971   2.764
   43   HD12  LEU   6          HD12      LEU   6 -11.460  -9.163   1.797
   44   HD13  LEU   6          HD13      LEU   6 -11.216  -9.435   3.522
   45   HD21  LEU   6          HD21      LEU   6 -11.900  -6.570   4.459
   46   HD22  LEU   6          HD22      LEU   6 -12.429  -8.090   5.180
   47   HD23  LEU   6          HD23      LEU   6 -13.621  -6.895   4.669
   48    H    GLU   7           HN       GLU   7 -15.211  -3.865   2.519
   49    HA   GLU   7           HA       GLU   7 -15.970  -3.122  -0.059
   50    HB2  GLU   7           HB2      GLU   7 -15.368  -1.443   2.359
   51    HB3  GLU   7           HB1      GLU   7 -16.093  -0.814   0.887
   52    HG2  GLU   7           HG2      GLU   7 -17.979  -2.348   1.173
   53    HG3  GLU   7           HG1      GLU   7 -17.253  -2.944   2.666
   54    H    GLU   8           HN       GLU   8 -12.815  -3.202   1.174
   55    HA   GLU   8           HA       GLU   8 -11.774  -1.380  -0.846
   56    HB2  GLU   8           HB2      GLU   8 -11.194  -0.969   2.099
   57    HB3  GLU   8           HB1      GLU   8 -10.535  -0.031   0.769
   58    HG2  GLU   8           HG2      GLU   8 -12.634   0.965   0.317
   59    HG3  GLU   8           HG1      GLU   8 -13.470  -0.155   1.391
   60    H    GLN   9           HN       GLN   9 -11.489  -4.032   1.215
   61    HA   GLN   9           HA       GLN   9  -8.553  -4.056   1.079
   62    HB2  GLN   9           HB2      GLN   9 -10.353  -5.208   3.213
   63    HB3  GLN   9           HB1      GLN   9  -8.596  -5.314   3.196
   64    HG2  GLN   9           HG2      GLN   9  -8.409  -2.917   3.391
   65    HG3  GLN   9           HG1      GLN   9 -10.159  -2.742   3.283
   66   HE21  GLN   9          HE21      GLN   9 -11.433  -3.374   5.026
   67   HE22  GLN   9          HE22      GLN   9 -10.776  -3.576   6.612
   68    H    MET  10           HN       MET  10 -10.673  -5.317  -0.712
   69    HA   MET  10           HA       MET  10 -10.551  -8.115  -0.369
   70    HB2  MET  10           HB2      MET  10 -11.399  -6.280  -2.530
   71    HB3  MET  10           HB1      MET  10 -11.003  -7.925  -3.009
   72    HG2  MET  10           HG2      MET  10 -13.039  -7.103  -0.951
   73    HG3  MET  10           HG1      MET  10 -13.368  -7.713  -2.573
   74    HE1  MET  10           HE1      MET  10 -14.965  -9.615  -1.706
   75    HE2  MET  10           HE2      MET  10 -14.761  -8.998  -0.066
   76    HE3  MET  10           HE3      MET  10 -14.554 -10.718  -0.393
   77    H    ASN  11           HN       ASN  11  -9.797  -9.212  -2.750
   78    HA   ASN  11           HA       ASN  11  -7.257 -10.040  -2.292
   79    HB2  ASN  11           HB2      ASN  11  -8.490  -9.775  -5.037
   80    HB3  ASN  11           HB1      ASN  11  -7.172 -10.852  -4.593
   81   HD21  ASN  11          HD21      ASN  11  -7.604 -12.671  -3.345
   82   HD22  ASN  11          HD22      ASN  11  -9.211 -13.289  -3.161
   83    H    SER  12           HN       SER  12  -8.154  -7.224  -4.196
   84    HA   SER  12           HA       SER  12  -5.923  -6.583  -5.576
   85    HB2  SER  12           HB2      SER  12  -7.600  -4.673  -3.936
   86    HB3  SER  12           HB1      SER  12  -6.510  -4.207  -5.245
   87    HG   SER  12           HG       SER  12  -8.394  -4.373  -6.260
   88    H    ILE  13           HN       ILE  13  -6.435  -5.725  -2.136
   89    HA   ILE  13           HA       ILE  13  -3.687  -4.762  -2.033
   90    HB   ILE  13           HB       ILE  13  -4.178  -3.677  -0.036
   91   HG12  ILE  13          HG12      ILE  13  -6.770  -5.157   0.347
   92   HG13  ILE  13          HG11      ILE  13  -5.252  -5.816   0.953
   93   HG21  ILE  13          HG21      ILE  13  -5.382  -2.710  -1.932
   94   HG22  ILE  13          HG22      ILE  13  -6.265  -2.474  -0.423
   95   HG23  ILE  13          HG23      ILE  13  -6.781  -3.718  -1.560
   96   HD11  ILE  13          HD11      ILE  13  -6.431  -3.148   1.681
   97   HD12  ILE  13          HD12      ILE  13  -4.907  -3.806   2.278
   98   HD13  ILE  13          HD13      ILE  13  -6.429  -4.599   2.686
   99    H    ASN  14           HN       ASN  14  -5.466  -7.574  -1.217
  100    HA   ASN  14           HA       ASN  14  -3.936  -8.420   1.031
  101    HB2  ASN  14           HB2      ASN  14  -5.469 -10.098  -0.927
  102    HB3  ASN  14           HB1      ASN  14  -4.884 -10.631   0.636
  103   HD21  ASN  14          HD21      ASN  14  -5.563  -8.161   1.991
  104   HD22  ASN  14          HD22      ASN  14  -7.287  -8.127   2.123
  105    H    SER  15           HN       SER  15  -3.848  -9.291  -2.418
  106    HA   SER  15           HA       SER  15  -1.669 -11.035  -2.295
  107    HB2  SER  15           HB2      SER  15  -1.319 -10.368  -4.732
  108    HB3  SER  15           HB1      SER  15  -2.964 -10.878  -4.333
  109    HG   SER  15           HG       SER  15  -1.985  -8.385  -5.057
  110    H    VAL  16           HN       VAL  16  -1.878  -7.556  -2.427
  111    HA   VAL  16           HA       VAL  16   0.890  -7.016  -2.677
  112    HB   VAL  16           HB       VAL  16  -1.279  -5.294  -1.441
  113   HG11  VAL  16          HG11      VAL  16   1.430  -4.556  -2.554
  114   HG12  VAL  16          HG12      VAL  16   0.970  -4.548  -0.851
  115   HG13  VAL  16          HG13      VAL  16   0.207  -3.425  -1.977
  116   HG21  VAL  16          HG21      VAL  16  -0.241  -5.394  -4.276
  117   HG22  VAL  16          HG22      VAL  16  -1.415  -4.238  -3.647
  118   HG23  VAL  16          HG23      VAL  16  -1.822  -5.951  -3.730
  119    H    ASN  17           HN       ASN  17  -1.266  -7.606   0.091
  120    HA   ASN  17           HA       ASN  17   0.641  -6.737   2.050
  121    HB2  ASN  17           HB2      ASN  17  -1.937  -8.227   2.122
  122    HB3  ASN  17           HB1      ASN  17  -0.863  -8.419   3.500
  123   HD21  ASN  17          HD21      ASN  17  -2.909  -6.241   1.739
  124   HD22  ASN  17          HD22      ASN  17  -2.926  -4.980   2.933
  125    H    ASP  18           HN       ASP  18  -0.163  -9.801   0.564
  126    HA   ASP  18           HA       ASP  18   1.690 -11.319   2.143
  127    HB2  ASP  18           HB2      ASP  18   0.066 -11.950  -0.317
  128    HB3  ASP  18           HB1      ASP  18   1.189 -13.108   0.394
  129    H    LYS  19           HN       LYS  19   1.972  -9.326  -0.603
  130    HA   LYS  19           HA       LYS  19   4.235 -10.802  -1.686
  131    HB2  LYS  19           HB2      LYS  19   2.607  -9.836  -3.258
  132    HB3  LYS  19           HB1      LYS  19   2.966  -8.229  -2.639
  133    HG2  LYS  19           HG2      LYS  19   5.263  -8.434  -3.407
  134    HG3  LYS  19           HG1      LYS  19   4.918 -10.053  -4.025
  135    HD2  LYS  19           HD2      LYS  19   3.215  -9.059  -5.525
  136    HD3  LYS  19           HD1      LYS  19   3.690  -7.458  -4.953
  137    HE2  LYS  19           HE2      LYS  19   5.446  -9.446  -6.391
  138    HE3  LYS  19           HE1      LYS  19   4.790  -7.952  -7.060
  139    HZ1  LYS  19           HZ1      LYS  19   6.066  -6.718  -5.390
  140    HZ2  LYS  19           HZ2      LYS  19   7.069  -7.637  -6.396
  141    HZ3  LYS  19           HZ3      LYS  19   6.738  -8.168  -4.827
  142    H    LEU  20           HN       LEU  20   3.506  -7.698  -0.185
  143    HA   LEU  20           HA       LEU  20   6.180  -6.742  -0.301
  144    HB2  LEU  20           HB2      LEU  20   3.834  -5.918   1.393
  145    HB3  LEU  20           HB1      LEU  20   5.359  -5.047   1.339
  146    HG   LEU  20           HG       LEU  20   3.360  -5.393  -0.892
  147   HD11  LEU  20          HD11      LEU  20   2.778  -3.668   0.671
  148   HD12  LEU  20          HD12      LEU  20   3.353  -2.927  -0.822
  149   HD13  LEU  20          HD13      LEU  20   4.404  -2.993   0.589
  150   HD21  LEU  20          HD21      LEU  20   4.902  -4.044  -2.265
  151   HD22  LEU  20          HD22      LEU  20   5.567  -5.623  -1.854
  152   HD23  LEU  20          HD23      LEU  20   6.122  -4.183  -1.000
  153    H    ASN  21           HN       ASN  21   4.338  -8.583   2.043
  154    HA   ASN  21           HA       ASN  21   6.487  -8.571   3.965
  155    HB2  ASN  21           HB2      ASN  21   3.803  -9.887   3.790
  156    HB3  ASN  21           HB1      ASN  21   5.002 -10.553   4.899
  157   HD21  ASN  21          HD21      ASN  21   2.885  -7.843   4.231
  158   HD22  ASN  21          HD22      ASN  21   3.118  -7.056   5.757
  159    H    LYS  22           HN       LYS  22   8.065  -9.192   2.293
  160    HA   LYS  22           HA       LYS  22   7.981 -12.049   1.610
  161    HB2  LYS  22           HB2      LYS  22   9.910 -11.075  -0.027
  162    HB3  LYS  22           HB1      LYS  22   8.215 -11.233  -0.465
  163    HG2  LYS  22           HG2      LYS  22   8.786  -9.087  -1.144
  164    HG3  LYS  22           HG1      LYS  22   7.953  -8.840   0.385
  165    HD2  LYS  22           HD2      LYS  22  10.182  -8.682   1.494
  166    HD3  LYS  22           HD1      LYS  22  10.931  -8.761  -0.104
  167    HE2  LYS  22           HE2      LYS  22   8.993  -6.669   0.866
  168    HE3  LYS  22           HE1      LYS  22  10.720  -6.432   0.636
  169    HZ1  LYS  22           HZ1      LYS  22   8.697  -7.018  -1.471
  170    HZ2  LYS  22           HZ2      LYS  22  10.357  -6.942  -1.745
  171    HZ3  LYS  22           HZ3      LYS  22   9.519  -5.553  -1.248
  172    H    GLY  23           HN       GLY  23  10.128  -9.551   2.894
  173    HA2  GLY  23           HA2      GLY  23  11.654 -11.398   4.398
  174    HA3  GLY  23           HA1      GLY  23  12.514 -10.996   2.912
  175    H    LYS  24           HN       LYS  24  12.820  -8.628   2.481
  176    HA   LYS  24           HA       LYS  24  13.063  -7.075   4.943
  177    HB2  LYS  24           HB2      LYS  24  14.798  -7.259   2.997
  178    HB3  LYS  24           HB1      LYS  24  13.740  -6.107   2.185
  179    HG2  LYS  24           HG2      LYS  24  14.085  -4.480   3.867
  180    HG3  LYS  24           HG1      LYS  24  14.927  -5.638   4.903
  181    HD2  LYS  24           HD2      LYS  24  15.863  -4.948   2.154
  182    HD3  LYS  24           HD1      LYS  24  16.362  -4.031   3.579
  183    HE2  LYS  24           HE2      LYS  24  16.817  -6.965   3.051
  184    HE3  LYS  24           HE1      LYS  24  18.039  -5.696   3.041
  185    HZ1  LYS  24           HZ1      LYS  24  16.478  -6.616   5.394
  186    HZ2  LYS  24           HZ2      LYS  24  17.574  -5.326   5.407
  187    HZ3  LYS  24           HZ3      LYS  24  18.123  -6.896   5.104
  188    H    GLY  25           HN       GLY  25  12.433  -4.619   4.344
  189    HA2  GLY  25           HA2      GLY  25  10.624  -3.191   4.058
  190    HA3  GLY  25           HA1      GLY  25  10.967  -3.642   2.425
  191    H    LYS  26           HN       LYS  26   8.865  -3.993   5.104
  192    HA   LYS  26           HA       LYS  26   6.937  -5.178   3.243
  193    HB2  LYS  26           HB2      LYS  26   6.089  -6.598   5.056
  194    HB3  LYS  26           HB1      LYS  26   7.768  -6.927   4.629
  195    HG2  LYS  26           HG2      LYS  26   8.211  -5.237   6.614
  196    HG3  LYS  26           HG1      LYS  26   6.635  -5.845   7.134
  197    HD2  LYS  26           HD2      LYS  26   8.117  -7.355   8.101
  198    HD3  LYS  26           HD1      LYS  26   7.631  -8.170   6.615
  199    HE2  LYS  26           HE2      LYS  26   9.667  -7.168   5.511
  200    HE3  LYS  26           HE1      LYS  26  10.152  -6.629   7.121
  201    HZ1  LYS  26           HZ1      LYS  26  11.159  -8.768   6.465
  202    HZ2  LYS  26           HZ2      LYS  26   9.615  -9.459   6.455
  203    HZ3  LYS  26           HZ3      LYS  26  10.257  -8.857   7.894
  204    H    LEU  27           HN       LEU  27   5.140  -4.179   3.060
  205    HA   LEU  27           HA       LEU  27   4.487  -2.043   4.968
  206    HB2  LEU  27           HB2      LEU  27   4.920  -1.817   2.330
  207    HB3  LEU  27           HB1      LEU  27   3.221  -2.252   2.267
  208    HG   LEU  27           HG       LEU  27   4.351   0.130   3.737
  209   HD11  LEU  27          HD11      LEU  27   3.321   1.449   1.958
  210   HD12  LEU  27          HD12      LEU  27   2.847  -0.034   1.129
  211   HD13  LEU  27          HD13      LEU  27   4.554   0.363   1.318
  212   HD21  LEU  27          HD21      LEU  27   2.037   0.825   3.953
  213   HD22  LEU  27          HD22      LEU  27   2.305  -0.730   4.744
  214   HD23  LEU  27          HD23      LEU  27   1.505  -0.661   3.174
  215    H    SER  28           HN       SER  28   2.919  -2.663   6.354
  216    HA   SER  28           HA       SER  28   0.932  -4.635   5.571
  217    HB2  SER  28           HB2      SER  28   1.926  -4.509   7.893
  218    HB3  SER  28           HB1      SER  28   1.076  -2.983   8.116
  219    HG   SER  28           HG       SER  28   0.072  -5.589   7.963
  220    H    LEU  29           HN       LEU  29  -0.838  -3.984   4.436
  221    HA   LEU  29           HA       LEU  29  -1.638  -1.149   4.642
  222    HB2  LEU  29           HB2      LEU  29  -2.389  -2.784   2.276
  223    HB3  LEU  29           HB1      LEU  29  -2.035  -1.065   2.380
  224    HG   LEU  29           HG       LEU  29   0.408  -2.168   2.930
  225   HD11  LEU  29          HD11      LEU  29  -0.888  -3.896   0.838
  226   HD12  LEU  29          HD12      LEU  29  -0.399  -4.413   2.452
  227   HD13  LEU  29          HD13      LEU  29   0.818  -3.899   1.283
  228   HD21  LEU  29          HD21      LEU  29  -0.700  -1.435   0.228
  229   HD22  LEU  29          HD22      LEU  29   1.008  -1.526   0.653
  230   HD23  LEU  29          HD23      LEU  29  -0.027  -0.315   1.412
  231    H    SER  30           HN       SER  30  -3.538  -0.738   5.505
  232    HA   SER  30           HA       SER  30  -5.717  -2.524   4.920
  233    HB2  SER  30           HB2      SER  30  -6.314  -2.625   7.409
  234    HB3  SER  30           HB1      SER  30  -4.967  -3.630   6.867
  235    HG   SER  30           HG       SER  30  -3.538  -2.090   7.668
  236    H    MET  31           HN       MET  31  -7.721  -1.569   5.020
  237    HA   MET  31           HA       MET  31  -7.721   1.332   5.409
  238    HB2  MET  31           HB2      MET  31  -9.686  -0.521   4.057
  239    HB3  MET  31           HB1      MET  31 -10.010   1.181   4.333
  240    HG2  MET  31           HG2      MET  31  -9.293   1.022   2.114
  241    HG3  MET  31           HG1      MET  31  -7.917   1.661   3.007
  242    HE1  MET  31           HE1      MET  31  -7.918   0.236   0.014
  243    HE2  MET  31           HE2      MET  31  -6.349  -0.558   0.146
  244    HE3  MET  31           HE3      MET  31  -6.564   1.077   0.767
  245    H    ASN  32           HN       ASN  32  -8.858   2.316   6.958
  246    HA   ASN  32           HA       ASN  32 -10.802   0.772   8.508
  247    HB2  ASN  32           HB2      ASN  32  -8.379   2.170   9.626
  248    HB3  ASN  32           HB1      ASN  32  -9.811   1.865  10.610
  249   HD21  ASN  32          HD21      ASN  32 -10.273  -0.201  11.269
  250   HD22  ASN  32          HD22      ASN  32  -9.165  -1.522  11.071
  251    H    GLY  33           HN       GLY  33 -12.430   1.950   7.598
  252    HA2  GLY  33           HA2      GLY  33 -14.023   3.598   7.688
  253    HA3  GLY  33           HA1      GLY  33 -13.058   4.402   8.918
  254    H    ASN  34           HN       ASN  34 -11.589   5.986   8.307
  255    HA   ASN  34           HA       ASN  34 -11.728   6.840   5.488
  256    HB2  ASN  34           HB2      ASN  34 -11.473   9.175   6.345
  257    HB3  ASN  34           HB1      ASN  34 -12.977   8.416   6.854
  258   HD21  ASN  34          HD21      ASN  34  -9.641   8.930   7.930
  259   HD22  ASN  34          HD22      ASN  34 -10.042   9.152   9.612
  260    H    GLN  35           HN       GLN  35  -9.789   5.084   6.666
  261    HA   GLN  35           HA       GLN  35  -7.384   6.707   6.455
  262    HB2  GLN  35           HB2      GLN  35  -7.873   6.722   8.822
  263    HB3  GLN  35           HB1      GLN  35  -8.060   4.968   8.828
  264    HG2  GLN  35           HG2      GLN  35  -5.683   4.762   8.167
  265    HG3  GLN  35           HG1      GLN  35  -5.532   6.512   8.313
  266   HE21  GLN  35          HE21      GLN  35  -7.354   6.609  10.623
  267   HE22  GLN  35          HE22      GLN  35  -6.428   6.018  11.966
  268    H    LEU  36           HN       LEU  36  -5.778   5.714   5.446
  269    HA   LEU  36           HA       LEU  36  -5.704   2.781   5.365
  270    HB2  LEU  36           HB2      LEU  36  -5.523   4.115   3.201
  271    HB3  LEU  36           HB1      LEU  36  -4.008   4.746   3.800
  272    HG   LEU  36           HG       LEU  36  -3.741   2.933   2.138
  273   HD11  LEU  36          HD11      LEU  36  -1.958   3.329   3.744
  274   HD12  LEU  36          HD12      LEU  36  -2.087   1.616   3.343
  275   HD13  LEU  36          HD13      LEU  36  -2.720   2.211   4.877
  276   HD21  LEU  36          HD21      LEU  36  -4.968   1.178   4.253
  277   HD22  LEU  36          HD22      LEU  36  -4.259   0.640   2.729
  278   HD23  LEU  36          HD23      LEU  36  -5.717   1.631   2.723
  279    H    LYS  37           HN       LYS  37  -4.656   2.087   7.148
  280    HA   LYS  37           HA       LYS  37  -2.463   3.767   8.204
  281    HB2  LYS  37           HB2      LYS  37  -2.639   2.394  10.246
  282    HB3  LYS  37           HB1      LYS  37  -4.178   3.147   9.851
  283    HG2  LYS  37           HG2      LYS  37  -5.042   1.057   9.023
  284    HG3  LYS  37           HG1      LYS  37  -3.470   0.283   9.243
  285    HD2  LYS  37           HD2      LYS  37  -3.612   0.633  11.646
  286    HD3  LYS  37           HD1      LYS  37  -5.146   1.479  11.449
  287    HE2  LYS  37           HE2      LYS  37  -5.490  -0.815  12.198
  288    HE3  LYS  37           HE1      LYS  37  -6.174  -0.556  10.595
  289    HZ1  LYS  37           HZ1      LYS  37  -3.529  -1.798  11.098
  290    HZ2  LYS  37           HZ2      LYS  37  -4.330  -1.681   9.608
  291    HZ3  LYS  37           HZ3      LYS  37  -4.954  -2.665  10.834
  292    H    ALA  38           HN       ALA  38  -0.446   2.672   8.737
  293    HA   ALA  38           HA       ALA  38  -0.005   0.131   7.396
  294    HB1  ALA  38           HB1      ALA  38   1.343   2.651   6.449
  295    HB2  ALA  38           HB2      ALA  38   0.102   1.749   5.578
  296    HB3  ALA  38           HB3      ALA  38   1.675   1.015   5.885
  297    H    THR  39           HN       THR  39   1.663  -0.967   8.167
  298    HA   THR  39           HA       THR  39   3.650   0.476   9.777
  299    HB   THR  39           HB       THR  39   4.028  -1.648  11.012
  300    HG1  THR  39           HG1      THR  39   3.181  -3.081   9.464
  301   HG21  THR  39          HG21      THR  39   2.562   0.074  11.958
  302   HG22  THR  39          HG22      THR  39   2.022  -1.544  12.400
  303   HG23  THR  39          HG23      THR  39   1.181  -0.650  11.134
  304    H    SER  40           HN       SER  40   5.796  -0.102   9.439
  305    HA   SER  40           HA       SER  40   6.307  -1.948   7.207
  306    HB2  SER  40           HB2      SER  40   7.701   0.686   7.714
  307    HB3  SER  40           HB1      SER  40   8.060  -0.448   6.407
  308    HG   SER  40           HG       SER  40   5.488   0.005   6.290
  309    H    SER  41           HN       SER  41   7.467  -3.578   7.882
  310    HA   SER  41           HA       SER  41   9.070  -3.228  10.302
  311    HB2  SER  41           HB2      SER  41   8.129  -5.790   9.006
  312    HB3  SER  41           HB1      SER  41   8.900  -5.642  10.582
  313    HG   SER  41           HG       SER  41   6.976  -4.093  10.916
  314    H    ASN  42           HN       ASN  42  10.887  -5.111  10.253
  315    HA   ASN  42           HA       ASN  42  13.059  -5.349   9.689
  316    HB2  ASN  42           HB2      ASN  42  11.734  -5.839   7.304
  317    HB3  ASN  42           HB1      ASN  42  12.919  -4.625   6.862
  318   HD21  ASN  42          HD21      ASN  42  13.159  -7.161   9.319
  319   HD22  ASN  42          HD22      ASN  42  14.492  -7.990   8.577
  320    H    ALA  43           HN       ALA  43  12.182  -3.018  10.718
  321    HA   ALA  43           HA       ALA  43  12.893  -0.947  11.242
  322    HB1  ALA  43           HB1      ALA  43  15.096  -1.980  11.172
  323    HB2  ALA  43           HB2      ALA  43  15.150  -0.295  10.654
  324    HB3  ALA  43           HB3      ALA  43  15.228  -1.589   9.459
  325    H    GLY  44           HN       GLY  44  11.335  -1.503   8.682
  326    HA2  GLY  44           HA2      GLY  44  10.211  -0.100   7.245
  327    HA3  GLY  44           HA1      GLY  44  11.022   1.243   8.032
  328    H    TYR  45           HN       TYR  45  12.943  -1.277   6.629
  329    HA   TYR  45           HA       TYR  45  14.032   0.593   4.732
  330    HB2  TYR  45           HB2      TYR  45  14.691  -2.238   5.470
  331    HB3  TYR  45           HB1      TYR  45  15.389  -1.500   4.030
  332    HD1  TYR  45           HD1      TYR  45  15.998  -2.091   7.432
  333    HD2  TYR  45           HD2      TYR  45  16.330   0.964   4.479
  334    HE1  TYR  45           HE1      TYR  45  17.719  -0.976   8.777
  335    HE2  TYR  45           HE2      TYR  45  18.055   2.078   5.822
  336    HH   TYR  45           HH       TYR  45  19.661   0.617   8.329
  337    H    GLY  46           HN       GLY  46  14.585  -0.637   2.476
  338    HA2  GLY  46           HA2      GLY  46  11.957  -0.776   1.234
  339    HA3  GLY  46           HA1      GLY  46  13.499  -0.605   0.416
  340    H    ILE  47           HN       ILE  47  12.610  -2.166  -1.042
  341    HA   ILE  47           HA       ILE  47  11.613  -4.666  -0.564
  342    HB   ILE  47           HB       ILE  47  13.634  -4.268  -2.727
  343   HG12  ILE  47          HG12      ILE  47  10.803  -3.214  -2.713
  344   HG13  ILE  47          HG11      ILE  47  12.274  -2.239  -2.724
  345   HG21  ILE  47          HG21      ILE  47  12.595  -6.470  -2.477
  346   HG22  ILE  47          HG22      ILE  47  12.149  -5.710  -4.004
  347   HG23  ILE  47          HG23      ILE  47  11.004  -5.735  -2.666
  348   HD11  ILE  47          HD11      ILE  47  11.492  -2.234  -4.926
  349   HD12  ILE  47          HD12      ILE  47  11.172  -3.967  -4.905
  350   HD13  ILE  47          HD13      ILE  47  12.833  -3.376  -4.909
  351    H    SER  48           HN       SER  48  14.958  -4.041  -1.483
  352    HA   SER  48           HA       SER  48  16.303  -5.653   0.256
  353    HB2  SER  48           HB2      SER  48  16.602  -7.754  -1.096
  354    HB3  SER  48           HB1      SER  48  14.960  -7.539  -0.470
  355    HG   SER  48           HG       SER  48  14.515  -7.926  -2.517
  356    H    TYR  49           HN       TYR  49  16.340  -5.919  -3.258
  357    HA   TYR  49           HA       TYR  49  18.668  -4.135  -3.399
  358    HB2  TYR  49           HB2      TYR  49  19.555  -6.393  -3.249
  359    HB3  TYR  49           HB1      TYR  49  18.494  -6.927  -4.540
  360    HD1  TYR  49           HD1      TYR  49  21.206  -4.405  -3.915
  361    HD2  TYR  49           HD2      TYR  49  19.368  -7.056  -6.715
  362    HE1  TYR  49           HE1      TYR  49  22.950  -3.892  -5.560
  363    HE2  TYR  49           HE2      TYR  49  21.111  -6.533  -8.348
  364    HH   TYR  49           HH       TYR  49  23.964  -4.826  -7.529
  365    H    GLU  50           HN       GLU  50  15.703  -5.156  -4.709
  366    HA   GLU  50           HA       GLU  50  16.357  -4.253  -7.404
  367    HB2  GLU  50           HB2      GLU  50  13.995  -5.273  -7.844
  368    HB3  GLU  50           HB1      GLU  50  15.380  -6.342  -7.619
  369    HG2  GLU  50           HG2      GLU  50  14.724  -6.603  -5.244
  370    HG3  GLU  50           HG1      GLU  50  13.289  -5.629  -5.578
  371    H    ASP  51           HN       ASP  51  14.352  -3.349  -8.562
  372    HA   ASP  51           HA       ASP  51  13.424  -1.053  -6.965
  373    HB2  ASP  51           HB2      ASP  51  15.215  -0.541  -8.633
  374    HB3  ASP  51           HB1      ASP  51  14.149  -1.131  -9.906
  375    H    LYS  52           HN       LYS  52  11.253  -0.888  -6.827
  376    HA   LYS  52           HA       LYS  52   9.651  -2.212  -8.894
  377    HB2  LYS  52           HB2      LYS  52   9.714  -2.647  -6.018
  378    HB3  LYS  52           HB1      LYS  52   8.098  -2.263  -6.604
  379    HG2  LYS  52           HG2      LYS  52   8.483  -4.646  -6.535
  380    HG3  LYS  52           HG1      LYS  52   8.223  -4.095  -8.191
  381    HD2  LYS  52           HD2      LYS  52  10.798  -3.994  -8.327
  382    HD3  LYS  52           HD1      LYS  52  10.764  -4.992  -6.870
  383    HE2  LYS  52           HE2      LYS  52   9.287  -6.594  -8.100
  384    HE3  LYS  52           HE1      LYS  52   9.570  -5.647  -9.557
  385    HZ1  LYS  52           HZ1      LYS  52  11.622  -7.078  -7.955
  386    HZ2  LYS  52           HZ2      LYS  52  11.958  -6.089  -9.289
  387    HZ3  LYS  52           HZ3      LYS  52  11.063  -7.507  -9.495
  388    H    ASN  53           HN       ASN  53   8.013  -1.142  -9.684
  389    HA   ASN  53           HA       ASN  53   7.665   1.639  -8.971
  390    HB2  ASN  53           HB2      ASN  53   7.898   1.210 -11.294
  391    HB3  ASN  53           HB1      ASN  53   6.772  -0.144 -11.221
  392   HD21  ASN  53          HD21      ASN  53   5.339   0.410 -12.608
  393   HD22  ASN  53          HD22      ASN  53   4.320   1.810 -12.515
  394    H    TRP  54           HN       TRP  54   6.180   2.238  -7.558
  395    HA   TRP  54           HA       TRP  54   3.945   0.432  -6.971
  396    HB2  TRP  54           HB2      TRP  54   5.863   1.763  -5.390
  397    HB3  TRP  54           HB1      TRP  54   4.293   2.513  -5.063
  398    HD1  TRP  54           HD1      TRP  54   6.226  -0.677  -4.545
  399    HE1  TRP  54           HE1      TRP  54   4.801  -2.263  -3.052
  400    HE3  TRP  54           HE3      TRP  54   1.945   1.969  -4.560
  401    HZ2  TRP  54           HZ2      TRP  54   2.096  -2.310  -2.045
  402    HZ3  TRP  54           HZ3      TRP  54  -0.002   1.149  -3.366
  403    HH2  TRP  54           HH2      TRP  54   0.077  -0.948  -2.114
  404    H    GLY  55           HN       GLY  55   1.820   1.440  -6.333
  405    HA2  GLY  55           HA2      GLY  55   1.488   4.252  -6.604
  406    HA3  GLY  55           HA1      GLY  55   0.950   3.420  -8.030
  407    H    ILE  56           HN       ILE  56  -0.450   5.033  -5.991
  408    HA   ILE  56           HA       ILE  56  -2.462   3.060  -5.122
  409    HB   ILE  56           HB       ILE  56  -1.834   5.835  -4.121
  410   HG12  ILE  56          HG12      ILE  56  -1.868   4.538  -1.918
  411   HG13  ILE  56          HG11      ILE  56  -1.890   3.084  -2.914
  412   HG21  ILE  56          HG21      ILE  56  -4.256   4.180  -3.418
  413   HG22  ILE  56          HG22      ILE  56  -4.261   5.680  -4.345
  414   HG23  ILE  56          HG23      ILE  56  -3.778   5.694  -2.649
  415   HD11  ILE  56          HD11      ILE  56   0.357   3.604  -2.147
  416   HD12  ILE  56          HD12      ILE  56   0.260   5.194  -2.903
  417   HD13  ILE  56          HD13      ILE  56   0.248   3.740  -3.901
  418    H    PHE  57           HN       PHE  57  -4.404   3.009  -6.045
  419    HA   PHE  57           HA       PHE  57  -5.312   5.348  -7.604
  420    HB2  PHE  57           HB2      PHE  57  -5.738   2.452  -8.388
  421    HB3  PHE  57           HB1      PHE  57  -6.224   3.873  -9.301
  422    HD1  PHE  57           HD1      PHE  57  -4.593   5.176 -10.531
  423    HD2  PHE  57           HD2      PHE  57  -3.460   1.693  -8.368
  424    HE1  PHE  57           HE1      PHE  57  -2.456   5.118 -11.743
  425    HE2  PHE  57           HE2      PHE  57  -1.320   1.631  -9.575
  426    HZ   PHE  57           HZ       PHE  57  -0.815   3.346 -11.266
  427    H    VAL  58           HN       VAL  58  -7.209   6.082  -6.790
  428    HA   VAL  58           HA       VAL  58  -9.026   4.120  -5.547
  429    HB   VAL  58           HB       VAL  58  -8.460   5.842  -3.959
  430   HG11  VAL  58          HG11      VAL  58  -8.969   8.216  -4.363
  431   HG12  VAL  58          HG12      VAL  58  -9.375   7.827  -6.034
  432   HG13  VAL  58          HG13      VAL  58  -7.728   7.596  -5.449
  433   HG21  VAL  58          HG21      VAL  58 -10.772   5.039  -3.946
  434   HG22  VAL  58          HG22      VAL  58 -11.231   6.338  -5.046
  435   HG23  VAL  58          HG23      VAL  58 -10.669   6.718  -3.419
  436    H    ASN  59           HN       ASN  59 -10.727   3.535  -6.705
  437    HA   ASN  59           HA       ASN  59 -12.236   3.405  -8.404
  438    HB2  ASN  59           HB2      ASN  59 -12.222   6.392  -8.000
  439    HB3  ASN  59           HB1      ASN  59 -13.232   5.626  -9.218
  440   HD21  ASN  59          HD21      ASN  59 -14.029   7.161  -6.924
  441   HD22  ASN  59          HD22      ASN  59 -15.037   6.128  -5.971
  442    H    GLY  60           HN       GLY  60  -9.391   3.544  -8.961
  443    HA2  GLY  60           HA2      GLY  60  -8.105   3.419 -10.875
  444    HA3  GLY  60           HA1      GLY  60  -9.510   3.926 -11.805
  445    H    GLU  61           HN       GLU  61  -8.740   5.956  -9.167
  446    HA   GLU  61           HA       GLU  61  -7.599   7.894 -11.049
  447    HB2  GLU  61           HB2      GLU  61  -9.252   8.219  -8.568
  448    HB3  GLU  61           HB1      GLU  61  -8.264   9.548  -9.176
  449    HG2  GLU  61           HG2      GLU  61  -9.434   9.567 -11.246
  450    HG3  GLU  61           HG1      GLU  61 -10.298   8.091 -10.827
  451    H    LYS  62           HN       LYS  62  -5.929   9.220 -10.412
  452    HA   LYS  62           HA       LYS  62  -3.884   7.640  -9.147
  453    HB2  LYS  62           HB2      LYS  62  -3.794   8.944 -11.352
  454    HB3  LYS  62           HB1      LYS  62  -3.642  10.388 -10.360
  455    HG2  LYS  62           HG2      LYS  62  -1.457   9.829 -10.984
  456    HG3  LYS  62           HG1      LYS  62  -1.615   9.300  -9.305
  457    HD2  LYS  62           HD2      LYS  62  -1.809   7.029  -9.947
  458    HD3  LYS  62           HD1      LYS  62  -2.052   7.454 -11.644
  459    HE2  LYS  62           HE2      LYS  62   0.239   8.340 -11.728
  460    HE3  LYS  62           HE1      LYS  62   0.476   7.864 -10.050
  461    HZ1  LYS  62           HZ1      LYS  62   1.393   6.267 -11.654
  462    HZ2  LYS  62           HZ2      LYS  62  -0.158   5.981 -12.257
  463    HZ3  LYS  62           HZ3      LYS  62   0.217   5.576 -10.657
  464    H    VAL  63           HN       VAL  63  -3.363   7.836  -7.058
  465    HA   VAL  63           HA       VAL  63  -3.892  10.394  -5.714
  466    HB   VAL  63           HB       VAL  63  -3.474   7.737  -4.432
  467   HG11  VAL  63          HG11      VAL  63  -4.336   8.821  -2.410
  468   HG12  VAL  63          HG12      VAL  63  -4.423  10.349  -3.287
  469   HG13  VAL  63          HG13      VAL  63  -2.858   9.590  -2.992
  470   HG21  VAL  63          HG21      VAL  63  -5.883   7.743  -3.986
  471   HG22  VAL  63          HG22      VAL  63  -5.529   7.714  -5.714
  472   HG23  VAL  63          HG23      VAL  63  -6.038   9.216  -4.943
  473    H    TYR  64           HN       TYR  64  -1.655   7.686  -5.217
  474    HA   TYR  64           HA       TYR  64   0.565   9.586  -5.045
  475    HB2  TYR  64           HB2      TYR  64  -0.339   9.209  -2.755
  476    HB3  TYR  64           HB1      TYR  64  -0.045   7.483  -2.951
  477    HD1  TYR  64           HD1      TYR  64   1.606  10.784  -2.700
  478    HD2  TYR  64           HD2      TYR  64   2.093   6.564  -2.558
  479    HE1  TYR  64           HE1      TYR  64   3.881  11.082  -1.814
  480    HE2  TYR  64           HE2      TYR  64   4.364   6.849  -1.675
  481    HH   TYR  64           HH       TYR  64   5.520   9.762  -0.461
  482    H    THR  65           HN       THR  65   2.549   8.725  -5.647
  483    HA   THR  65           HA       THR  65   2.611   5.892  -6.442
  484    HB   THR  65           HB       THR  65   3.514   8.222  -8.164
  485    HG1  THR  65           HG1      THR  65   1.245   7.954  -8.128
  486   HG21  THR  65          HG21      THR  65   3.927   6.544  -9.896
  487   HG22  THR  65          HG22      THR  65   3.496   5.262  -8.763
  488   HG23  THR  65          HG23      THR  65   4.929   6.249  -8.474
  489    H    PHE  66           HN       PHE  66   4.735   4.935  -6.244
  490    HA   PHE  66           HA       PHE  66   6.983   6.617  -5.617
  491    HB2  PHE  66           HB2      PHE  66   7.348   5.917  -3.329
  492    HB3  PHE  66           HB1      PHE  66   5.771   6.683  -3.476
  493    HD1  PHE  66           HD1      PHE  66   7.578   3.666  -2.636
  494    HD2  PHE  66           HD2      PHE  66   3.719   5.297  -3.385
  495    HE1  PHE  66           HE1      PHE  66   6.551   1.732  -1.519
  496    HE2  PHE  66           HE2      PHE  66   2.684   3.364  -2.269
  497    HZ   PHE  66           HZ       PHE  66   4.101   1.581  -1.331
  498    H    ASN  67           HN       ASN  67   8.677   5.016  -4.348
  499    HA   ASN  67           HA       ASN  67   8.956   2.668  -6.116
  500    HB2  ASN  67           HB2      ASN  67  10.573   4.620  -6.432
  501    HB3  ASN  67           HB1      ASN  67  11.198   4.248  -4.831
  502   HD21  ASN  67          HD21      ASN  67  12.476   4.216  -7.448
  503   HD22  ASN  67          HD22      ASN  67  13.123   2.618  -7.653
  504    H    GLU  68           HN       GLU  68   9.525   0.763  -5.214
  505    HA   GLU  68           HA       GLU  68   8.687   0.397  -2.531
  506    HB2  GLU  68           HB2      GLU  68   8.746  -1.149  -4.761
  507    HB3  GLU  68           HB1      GLU  68  10.078  -1.826  -3.843
  508    HG2  GLU  68           HG2      GLU  68   8.263  -1.810  -1.914
  509    HG3  GLU  68           HG1      GLU  68   7.185  -1.863  -3.312
  510    H    LYS  69           HN       LYS  69  11.825   0.708  -4.007
  511    HA   LYS  69           HA       LYS  69  13.101  -0.578  -1.716
  512    HB2  LYS  69           HB2      LYS  69  15.160  -0.463  -2.973
  513    HB3  LYS  69           HB1      LYS  69  13.888  -1.159  -3.967
  514    HG2  LYS  69           HG2      LYS  69  13.559   1.092  -4.980
  515    HG3  LYS  69           HG1      LYS  69  14.997   1.627  -4.101
  516    HD2  LYS  69           HD2      LYS  69  15.098  -0.809  -5.849
  517    HD3  LYS  69           HD1      LYS  69  15.331   0.793  -6.537
  518    HE2  LYS  69           HE2      LYS  69  16.944  -0.428  -4.300
  519    HE3  LYS  69           HE1      LYS  69  17.458  -0.294  -5.979
  520    HZ1  LYS  69           HZ1      LYS  69  18.433   1.470  -4.710
  521    HZ2  LYS  69           HZ2      LYS  69  16.931   1.949  -4.101
  522    HZ3  LYS  69           HZ3      LYS  69  17.277   2.144  -5.745
  523    H    SER  70           HN       SER  70  11.830   2.246  -1.842
  524    HA   SER  70           HA       SER  70  14.044   3.877  -1.082
  525    HB2  SER  70           HB2      SER  70  12.195   5.392  -0.163
  526    HB3  SER  70           HB1      SER  70  12.123   5.056  -1.892
  527    HG   SER  70           HG       SER  70  10.359   3.873  -1.614
  528    H    THR  71           HN       THR  71  11.871   4.485   1.295
  529    HA   THR  71           HA       THR  71  12.603   2.217   2.974
  530    HB   THR  71           HB       THR  71  12.385   3.941   4.918
  531    HG1  THR  71           HG1      THR  71  12.799   5.578   2.668
  532   HG21  THR  71          HG21      THR  71  14.808   4.366   4.863
  533   HG22  THR  71          HG22      THR  71  14.849   3.824   3.186
  534   HG23  THR  71          HG23      THR  71  14.416   2.694   4.469
  535    H    VAL  72           HN       VAL  72  10.769   1.165   3.220
  536    HA   VAL  72           HA       VAL  72   8.323   2.120   2.349
  537    HB   VAL  72           HB       VAL  72   8.693  -0.168   4.299
  538   HG11  VAL  72          HG11      VAL  72   6.737  -1.101   3.241
  539   HG12  VAL  72          HG12      VAL  72   6.611   0.311   2.189
  540   HG13  VAL  72          HG13      VAL  72   6.386   0.484   3.931
  541   HG21  VAL  72          HG21      VAL  72  10.242  -0.450   2.450
  542   HG22  VAL  72          HG22      VAL  72   8.946  -0.161   1.290
  543   HG23  VAL  72          HG23      VAL  72   8.914  -1.602   2.307
  544    H    GLY  73           HN       GLY  73   9.803   2.539   5.443
  545    HA2  GLY  73           HA2      GLY  73   7.284   2.897   6.852
  546    HA3  GLY  73           HA1      GLY  73   8.900   3.165   7.515
  547    H    ASN  74           HN       ASN  74   9.695   4.981   5.369
  548    HA   ASN  74           HA       ASN  74   8.487   7.391   6.308
  549    HB2  ASN  74           HB2      ASN  74  10.409   6.807   4.048
  550    HB3  ASN  74           HB1      ASN  74   9.752   8.419   4.322
  551   HD21  ASN  74          HD21      ASN  74  11.966   6.019   5.410
  552   HD22  ASN  74          HD22      ASN  74  12.713   6.967   6.657
  553    H    ILE  75           HN       ILE  75   8.040   5.248   3.597
  554    HA   ILE  75           HA       ILE  75   6.354   7.056   2.132
  555    HB   ILE  75           HB       ILE  75   6.551   4.073   1.759
  556   HG12  ILE  75          HG12      ILE  75   8.815   5.060   1.704
  557   HG13  ILE  75          HG11      ILE  75   8.313   4.486   0.115
  558   HG21  ILE  75          HG21      ILE  75   4.702   5.139   0.626
  559   HG22  ILE  75          HG22      ILE  75   5.915   4.626  -0.547
  560   HG23  ILE  75          HG23      ILE  75   5.795   6.324  -0.089
  561   HD11  ILE  75          HD11      ILE  75   9.465   6.600  -0.051
  562   HD12  ILE  75          HD12      ILE  75   8.309   7.341   1.054
  563   HD13  ILE  75          HD13      ILE  75   7.778   6.779  -0.530
  564    H    SER  76           HN       SER  76   5.823   4.031   3.916
  565    HA   SER  76           HA       SER  76   3.145   3.725   3.381
  566    HB2  SER  76           HB2      SER  76   3.071   2.281   5.391
  567    HB3  SER  76           HB1      SER  76   4.440   1.937   4.335
  568    HG   SER  76           HG       SER  76   5.698   2.354   5.944
  569    H    ASN  77           HN       ASN  77   4.548   5.208   6.240
  570    HA   ASN  77           HA       ASN  77   1.923   5.888   7.167
  571    HB2  ASN  77           HB2      ASN  77   4.649   6.376   8.278
  572    HB3  ASN  77           HB1      ASN  77   3.240   7.214   8.934
  573   HD21  ASN  77          HD21      ASN  77   1.333   5.190   8.553
  574   HD22  ASN  77          HD22      ASN  77   1.685   3.891   9.639
  575    H    ASP  78           HN       ASP  78   4.200   7.584   5.154
  576    HA   ASP  78           HA       ASP  78   2.936  10.115   5.364
  577    HB2  ASP  78           HB2      ASP  78   4.448   8.746   3.186
  578    HB3  ASP  78           HB1      ASP  78   3.471  10.151   2.773
  579    H    ILE  79           HN       ILE  79   2.214   7.182   3.590
  580    HA   ILE  79           HA       ILE  79  -0.094   8.023   2.253
  581    HB   ILE  79           HB       ILE  79   0.602   5.293   3.356
  582   HG12  ILE  79          HG12      ILE  79   0.863   6.434   0.563
  583   HG13  ILE  79          HG11      ILE  79   2.194   6.206   1.699
  584   HG21  ILE  79          HG21      ILE  79  -1.534   6.064   1.370
  585   HG22  ILE  79          HG22      ILE  79  -1.787   5.419   2.994
  586   HG23  ILE  79          HG23      ILE  79  -1.043   4.412   1.750
  587   HD11  ILE  79          HD11      ILE  79   2.156   4.434   0.063
  588   HD12  ILE  79          HD12      ILE  79   0.491   4.040   0.488
  589   HD13  ILE  79          HD13      ILE  79   1.783   3.789   1.660
  590    H    ASN  80           HN       ASN  80   0.513   7.440   5.600
  591    HA   ASN  80           HA       ASN  80  -2.270   7.103   6.232
  592    HB2  ASN  80           HB2      ASN  80   0.095   7.546   8.063
  593    HB3  ASN  80           HB1      ASN  80  -1.550   7.340   8.635
  594   HD21  ASN  80          HD21      ASN  80   0.094   5.584   6.042
  595   HD22  ASN  80          HD22      ASN  80   0.041   4.051   6.837
  596    H    LYS  81           HN       LYS  81   0.091   9.695   6.282
  597    HA   LYS  81           HA       LYS  81  -1.366  11.657   7.594
  598    HB2  LYS  81           HB2      LYS  81   0.269  12.039   5.073
  599    HB3  LYS  81           HB1      LYS  81  -0.131  13.279   6.260
  600    HG2  LYS  81           HG2      LYS  81   1.256  12.243   7.907
  601    HG3  LYS  81           HG1      LYS  81   1.522  10.840   6.870
  602    HD2  LYS  81           HD2      LYS  81   3.462  12.262   6.775
  603    HD3  LYS  81           HD1      LYS  81   2.629  12.325   5.224
  604    HE2  LYS  81           HE2      LYS  81   1.561  14.436   5.928
  605    HE3  LYS  81           HE1      LYS  81   2.490  14.379   7.424
  606    HZ1  LYS  81           HZ1      LYS  81   3.602  14.569   4.679
  607    HZ2  LYS  81           HZ2      LYS  81   4.526  14.438   6.090
  608    HZ3  LYS  81           HZ3      LYS  81   3.569  15.806   5.833
  609    H    LEU  82           HN       LEU  82  -1.531  10.508   4.297
  610    HA   LEU  82           HA       LEU  82  -3.410  12.264   3.220
  611    HB2  LEU  82           HB2      LEU  82  -3.489   9.381   2.469
  612    HB3  LEU  82           HB1      LEU  82  -3.516  10.803   1.439
  613    HG   LEU  82           HG       LEU  82  -1.074   9.647   2.834
  614   HD11  LEU  82          HD11      LEU  82  -1.832   8.296   0.956
  615   HD12  LEU  82          HD12      LEU  82  -0.357   9.159   0.518
  616   HD13  LEU  82          HD13      LEU  82  -1.919   9.720  -0.079
  617   HD21  LEU  82          HD21      LEU  82  -0.937  12.090   2.651
  618   HD22  LEU  82          HD22      LEU  82  -1.338  12.005   0.936
  619   HD23  LEU  82          HD23      LEU  82   0.176  11.317   1.523
  620    H    ASN  83           HN       ASN  83  -3.762   9.627   5.420
  621    HA   ASN  83           HA       ASN  83  -5.490   8.183   5.922
  622    HB2  ASN  83           HB2      ASN  83  -5.981  10.877   6.827
  623    HB3  ASN  83           HB1      ASN  83  -7.494   9.997   6.614
  624   HD21  ASN  83          HD21      ASN  83  -4.483   8.365   7.385
  625   HD22  ASN  83          HD22      ASN  83  -4.913   7.918   9.007
  626    H    ILE  84           HN       ILE  84  -5.980   7.147   4.107
  627    HA   ILE  84           HA       ILE  84  -7.076   8.187   1.816
  628    HB   ILE  84           HB       ILE  84  -6.849   5.396   2.848
  629   HG12  ILE  84          HG12      ILE  84  -4.803   6.539   2.248
  630   HG13  ILE  84          HG11      ILE  84  -5.156   5.295   1.047
  631   HG21  ILE  84          HG21      ILE  84  -7.455   4.556   0.640
  632   HG22  ILE  84          HG22      ILE  84  -7.870   6.192   0.128
  633   HG23  ILE  84          HG23      ILE  84  -8.806   5.400   1.395
  634   HD11  ILE  84          HD11      ILE  84  -5.478   8.258   0.754
  635   HD12  ILE  84          HD12      ILE  84  -6.209   7.103  -0.361
  636   HD13  ILE  84          HD13      ILE  84  -4.452   7.168  -0.179
  637    H    LYS  85           HN       LYS  85  -8.921   8.342   0.890
  638    HA   LYS  85           HA       LYS  85 -11.368   7.627   2.348
  639    HB2  LYS  85           HB2      LYS  85 -12.246   9.606   0.793
  640    HB3  LYS  85           HB1      LYS  85 -11.603   9.897   2.391
  641    HG2  LYS  85           HG2      LYS  85  -9.848  10.016  -0.057
  642    HG3  LYS  85           HG1      LYS  85 -10.811  11.402   0.465
  643    HD2  LYS  85           HD2      LYS  85  -9.488  11.820   2.259
  644    HD3  LYS  85           HD1      LYS  85  -9.170  10.112   2.555
  645    HE2  LYS  85           HE2      LYS  85  -7.147  11.338   1.887
  646    HE3  LYS  85           HE1      LYS  85  -7.556  10.057   0.740
  647    HZ1  LYS  85           HZ1      LYS  85  -8.495  11.714  -0.729
  648    HZ2  LYS  85           HZ2      LYS  85  -6.907  12.145  -0.344
  649    HZ3  LYS  85           HZ3      LYS  85  -8.201  12.944   0.394
  650    H    GLY  86           HN       GLY  86 -13.257   7.483   0.766
  651    HA2  GLY  86           HA2      GLY  86 -13.729   7.299  -1.664
  652    HA3  GLY  86           HA1      GLY  86 -12.218   6.394  -1.737
  653    HA   PRO  87           HA       PRO  87 -15.864   3.509  -0.880
  654    HB2  PRO  87           HB2      PRO  87 -16.331   2.447  -3.280
  655    HB3  PRO  87           HB1      PRO  87 -16.984   4.039  -2.854
  656    HG2  PRO  87           HG2      PRO  87 -14.512   3.367  -4.421
  657    HG3  PRO  87           HG1      PRO  87 -15.803   4.523  -4.829
  658    HD2  PRO  87           HD2      PRO  87 -13.450   5.274  -3.688
  659    HD3  PRO  87           HD1      PRO  87 -14.978   6.131  -3.389
  660    H    TYR  88           HN       TYR  88 -13.355   2.853  -3.325
  661    HA   TYR  88           HA       TYR  88 -12.222   0.813  -1.653
  662    HB2  TYR  88           HB2      TYR  88 -12.263  -0.963  -3.298
  663    HB3  TYR  88           HB1      TYR  88 -13.915  -0.417  -3.010
  664    HD1  TYR  88           HD1      TYR  88 -11.267  -0.746  -5.472
  665    HD2  TYR  88           HD2      TYR  88 -15.081   0.973  -4.703
  666    HE1  TYR  88           HE1      TYR  88 -11.580  -0.377  -7.881
  667    HE2  TYR  88           HE2      TYR  88 -15.404   1.346  -7.111
  668    HH   TYR  88           HH       TYR  88 -13.985   1.623  -9.142
  669    H    ILE  89           HN       ILE  89 -10.031   0.481  -2.096
  670    HA   ILE  89           HA       ILE  89  -8.921   2.360  -4.062
  671    HB   ILE  89           HB       ILE  89  -7.988   2.021  -1.207
  672   HG12  ILE  89          HG12      ILE  89  -8.391   4.616  -1.362
  673   HG13  ILE  89          HG11      ILE  89  -9.455   4.164  -2.693
  674   HG21  ILE  89          HG21      ILE  89  -6.797   3.676  -3.427
  675   HG22  ILE  89          HG22      ILE  89  -6.074   2.252  -2.680
  676   HG23  ILE  89          HG23      ILE  89  -6.299   3.725  -1.736
  677   HD11  ILE  89          HD11      ILE  89  -9.678   3.190   0.148
  678   HD12  ILE  89          HD12      ILE  89 -10.746   2.749  -1.184
  679   HD13  ILE  89          HD13      ILE  89 -10.687   4.418  -0.615
  680    H    GLU  90           HN       GLU  90  -7.345   1.601  -5.275
  681    HA   GLU  90           HA       GLU  90  -6.345  -1.094  -4.795
  682    HB2  GLU  90           HB2      GLU  90  -5.971   0.821  -7.107
  683    HB3  GLU  90           HB1      GLU  90  -5.329  -0.816  -7.047
  684    HG2  GLU  90           HG2      GLU  90  -8.263  -0.210  -6.822
  685    HG3  GLU  90           HG1      GLU  90  -7.456  -0.467  -8.370
  686    H    ILE  91           HN       ILE  91  -4.848  -0.893  -3.163
  687    HA   ILE  91           HA       ILE  91  -2.614   0.922  -3.678
  688    HB   ILE  91           HB       ILE  91  -3.754   0.946  -1.414
  689   HG12  ILE  91          HG12      ILE  91  -0.869   0.188  -1.108
  690   HG13  ILE  91          HG11      ILE  91  -1.339   1.672  -1.926
  691   HG21  ILE  91          HG21      ILE  91  -4.111  -1.435  -1.112
  692   HG22  ILE  91          HG22      ILE  91  -3.170  -0.765   0.218
  693   HG23  ILE  91          HG23      ILE  91  -2.367  -1.701  -1.047
  694   HD11  ILE  91          HD11      ILE  91  -2.477   2.422   0.088
  695   HD12  ILE  91          HD12      ILE  91  -0.782   2.060   0.409
  696   HD13  ILE  91          HD13      ILE  91  -2.035   0.922   0.901
  697    H    LYS  92           HN       LYS  92  -1.260  -0.003  -5.089
  698    HA   LYS  92           HA       LYS  92  -0.223  -2.671  -4.654
  699    HB2  LYS  92           HB2      LYS  92  -1.042  -3.413  -6.950
  700    HB3  LYS  92           HB1      LYS  92  -2.283  -3.305  -5.704
  701    HG2  LYS  92           HG2      LYS  92  -3.358  -2.266  -7.435
  702    HG3  LYS  92           HG1      LYS  92  -2.586  -0.878  -6.667
  703    HD2  LYS  92           HD2      LYS  92  -2.177  -0.610  -8.963
  704    HD3  LYS  92           HD1      LYS  92  -0.669  -1.236  -8.298
  705    HE2  LYS  92           HE2      LYS  92  -1.176  -2.372 -10.371
  706    HE3  LYS  92           HE1      LYS  92  -1.312  -3.502  -9.022
  707    HZ1  LYS  92           HZ1      LYS  92  -3.552  -2.160 -10.433
  708    HZ2  LYS  92           HZ2      LYS  92  -3.728  -3.146  -9.073
  709    HZ3  LYS  92           HZ3      LYS  92  -3.147  -3.799 -10.516
  710    H    GLN  93           HN       GLN  93   1.231  -3.253  -6.637
  711    HA   GLN  93           HA       GLN  93   2.473  -0.744  -7.498
  712    HB2  GLN  93           HB2      GLN  93   4.261  -2.746  -8.156
  713    HB3  GLN  93           HB1      GLN  93   4.366  -1.629  -6.799
  714    HG2  GLN  93           HG2      GLN  93   3.115  -3.271  -5.424
  715    HG3  GLN  93           HG1      GLN  93   3.162  -4.393  -6.786
  716   HE21  GLN  93          HE21      GLN  93   5.832  -2.264  -6.040
  717   HE22  GLN  93          HE22      GLN  93   6.896  -3.501  -5.434
  718    H    ILE  94           HN       ILE  94   3.548  -0.817  -9.620
  719    HA   ILE  94           HA       ILE  94   1.610  -1.916 -11.530
  720    HB   ILE  94           HB       ILE  94   2.110   0.462 -12.633
  721   HG12  ILE  94          HG12      ILE  94   2.450   0.820  -9.650
  722   HG13  ILE  94          HG11      ILE  94   3.601   1.247 -10.911
  723   HG21  ILE  94          HG21      ILE  94   0.005   1.240 -11.659
  724   HG22  ILE  94          HG22      ILE  94   0.102  -0.026 -10.437
  725   HG23  ILE  94          HG23      ILE  94  -0.100  -0.455 -12.136
  726   HD11  ILE  94          HD11      ILE  94   0.943   2.555 -10.426
  727   HD12  ILE  94          HD12      ILE  94   2.101   2.997 -11.681
  728   HD13  ILE  94          HD13      ILE  94   2.523   3.198  -9.979
  Start of MODEL   19
    1    H    ASP   1           HT1      ASP   1 -13.637 -10.639   4.725
    2    HA   ASP   1           HA       ASP   1 -16.569 -10.483   5.086
    3    HB2  ASP   1           HB2      ASP   1 -14.328 -10.468   7.120
    4    HB3  ASP   1           HB1      ASP   1 -16.025 -10.181   7.479
    5    H    ASN   2           HN       ASN   2 -17.352  -8.470   5.687
    6    HA   ASN   2           HA       ASN   2 -17.507  -6.226   5.874
    7    HB2  ASN   2           HB2      ASN   2 -14.519  -6.362   6.301
    8    HB3  ASN   2           HB1      ASN   2 -15.475  -4.892   6.459
    9   HD21  ASN   2          HD21      ASN   2 -14.722  -7.984   7.826
   10   HD22  ASN   2          HD22      ASN   2 -15.467  -7.718   9.362
   11    H    GLN   3           HN       GLN   3 -16.597  -7.702   3.281
   12    HA   GLN   3           HA       GLN   3 -15.886  -5.322   1.751
   13    HB2  GLN   3           HB2      GLN   3 -16.143  -8.218   1.053
   14    HB3  GLN   3           HB1      GLN   3 -16.284  -7.002  -0.207
   15    HG2  GLN   3           HG2      GLN   3 -14.039  -7.686  -0.205
   16    HG3  GLN   3           HG1      GLN   3 -14.088  -6.099   0.551
   17   HE21  GLN   3          HE21      GLN   3 -13.618  -9.510   1.089
   18   HE22  GLN   3          HE22      GLN   3 -12.888  -9.350   2.651
   19    H    LYS   4           HN       LYS   4 -18.379  -5.671   3.234
   20    HA   LYS   4           HA       LYS   4 -20.585  -6.197   1.615
   21    HB2  LYS   4           HB2      LYS   4 -20.414  -5.856   4.169
   22    HB3  LYS   4           HB1      LYS   4 -20.586  -4.145   3.826
   23    HG2  LYS   4           HG2      LYS   4 -22.581  -6.240   2.983
   24    HG3  LYS   4           HG1      LYS   4 -22.693  -5.319   4.479
   25    HD2  LYS   4           HD2      LYS   4 -22.619  -4.082   1.729
   26    HD3  LYS   4           HD1      LYS   4 -24.101  -4.439   2.615
   27    HE2  LYS   4           HE2      LYS   4 -23.362  -2.953   4.425
   28    HE3  LYS   4           HE1      LYS   4 -21.898  -2.586   3.515
   29    HZ1  LYS   4           HZ1      LYS   4 -23.589  -0.871   3.251
   30    HZ2  LYS   4           HZ2      LYS   4 -24.663  -2.006   2.609
   31    HZ3  LYS   4           HZ3      LYS   4 -23.246  -1.621   1.775
   32    H    ALA   5           HN       ALA   5 -19.543  -2.929   2.634
   33    HA   ALA   5           HA       ALA   5 -20.540  -1.850   0.120
   34    HB1  ALA   5           HB1      ALA   5 -21.040  -0.631   2.187
   35    HB2  ALA   5           HB2      ALA   5 -20.071   0.342   1.081
   36    HB3  ALA   5           HB3      ALA   5 -19.312  -0.424   2.476
   37    H    LEU   6           HN       LEU   6 -17.614  -2.587   1.776
   38    HA   LEU   6           HA       LEU   6 -15.943  -1.290  -0.223
   39    HB2  LEU   6           HB2      LEU   6 -15.091  -2.932   2.161
   40    HB3  LEU   6           HB1      LEU   6 -14.097  -1.829   1.221
   41    HG   LEU   6           HG       LEU   6 -16.407  -1.048   3.009
   42   HD11  LEU   6          HD11      LEU   6 -14.458  -1.731   4.269
   43   HD12  LEU   6          HD12      LEU   6 -14.680   0.016   4.377
   44   HD13  LEU   6          HD13      LEU   6 -13.438  -0.653   3.317
   45   HD21  LEU   6          HD21      LEU   6 -14.538   0.669   1.381
   46   HD22  LEU   6          HD22      LEU   6 -15.711   1.259   2.559
   47   HD23  LEU   6          HD23      LEU   6 -16.265   0.441   1.099
   48    H    GLU   7           HN       GLU   7 -17.100  -2.834  -1.718
   49    HA   GLU   7           HA       GLU   7 -16.761  -5.621  -1.659
   50    HB2  GLU   7           HB2      GLU   7 -18.551  -4.273  -2.795
   51    HB3  GLU   7           HB1      GLU   7 -17.383  -3.879  -4.042
   52    HG2  GLU   7           HG2      GLU   7 -18.789  -5.633  -4.829
   53    HG3  GLU   7           HG1      GLU   7 -17.178  -6.288  -4.551
   54    H    GLU   8           HN       GLU   8 -14.101  -4.184  -1.606
   55    HA   GLU   8           HA       GLU   8 -12.880  -5.602  -3.838
   56    HB2  GLU   8           HB2      GLU   8 -12.648  -2.614  -3.553
   57    HB3  GLU   8           HB1      GLU   8 -11.499  -3.574  -4.473
   58    HG2  GLU   8           HG2      GLU   8 -13.492  -4.437  -5.780
   59    HG3  GLU   8           HG1      GLU   8 -14.418  -3.151  -5.011
   60    H    GLN   9           HN       GLN   9 -12.873  -5.032  -0.709
   61    HA   GLN   9           HA       GLN   9 -10.029  -4.967  -0.242
   62    HB2  GLN   9           HB2      GLN   9 -12.411  -5.417   1.527
   63    HB3  GLN   9           HB1      GLN   9 -10.773  -5.620   2.119
   64    HG2  GLN   9           HG2      GLN   9 -10.270  -3.320   1.726
   65    HG3  GLN   9           HG1      GLN   9 -11.812  -3.078   0.899
   66   HE21  GLN   9          HE21      GLN   9 -13.353  -4.652   2.722
   67   HE22  GLN   9          HE22      GLN   9 -13.480  -3.750   4.193
   68    H    MET  10           HN       MET  10 -11.371  -7.109  -1.894
   69    HA   MET  10           HA       MET  10 -11.337  -9.550  -0.438
   70    HB2  MET  10           HB2      MET  10 -11.418  -8.910  -3.380
   71    HB3  MET  10           HB1      MET  10 -11.440 -10.556  -2.772
   72    HG2  MET  10           HG2      MET  10 -13.471  -8.421  -2.181
   73    HG3  MET  10           HG1      MET  10 -13.675  -9.779  -3.286
   74    HE1  MET  10           HE1      MET  10 -15.886 -10.588  -2.157
   75    HE2  MET  10           HE2      MET  10 -15.814  -9.197  -1.076
   76    HE3  MET  10           HE3      MET  10 -16.081 -10.811  -0.419
   77    H    ASN  11           HN       ASN  11 -10.057 -11.306  -2.194
   78    HA   ASN  11           HA       ASN  11  -7.521 -11.532  -1.128
   79    HB2  ASN  11           HB2      ASN  11  -8.612 -12.615  -3.725
   80    HB3  ASN  11           HB1      ASN  11  -7.037 -13.057  -3.084
   81   HD21  ASN  11          HD21      ASN  11  -7.556 -15.198  -2.851
   82   HD22  ASN  11          HD22      ASN  11  -8.656 -15.769  -1.646
   83    H    SER  12           HN       SER  12  -8.538  -9.562  -3.790
   84    HA   SER  12           HA       SER  12  -6.228  -9.105  -5.189
   85    HB2  SER  12           HB2      SER  12  -8.258  -7.037  -4.307
   86    HB3  SER  12           HB1      SER  12  -7.091  -6.834  -5.618
   87    HG   SER  12           HG       SER  12  -9.408  -7.632  -6.021
   88    H    ILE  13           HN       ILE  13  -7.166  -7.721  -2.050
   89    HA   ILE  13           HA       ILE  13  -4.714  -6.178  -1.994
   90    HB   ILE  13           HB       ILE  13  -6.893  -6.315   0.069
   91   HG12  ILE  13          HG12      ILE  13  -6.385  -4.519  -2.288
   92   HG13  ILE  13          HG11      ILE  13  -7.862  -5.378  -1.868
   93   HG21  ILE  13          HG21      ILE  13  -4.754  -5.611   1.011
   94   HG22  ILE  13          HG22      ILE  13  -5.910  -4.278   0.976
   95   HG23  ILE  13          HG23      ILE  13  -4.622  -4.362  -0.226
   96   HD11  ILE  13          HD11      ILE  13  -6.710  -2.967  -0.504
   97   HD12  ILE  13          HD12      ILE  13  -8.100  -3.872   0.086
   98   HD13  ILE  13          HD13      ILE  13  -8.182  -3.049  -1.472
   99    H    ASN  14           HN       ASN  14  -5.942  -9.160  -0.722
  100    HA   ASN  14           HA       ASN  14  -4.093  -9.419   1.441
  101    HB2  ASN  14           HB2      ASN  14  -5.565 -11.518  -0.122
  102    HB3  ASN  14           HB1      ASN  14  -4.635 -11.834   1.331
  103   HD21  ASN  14          HD21      ASN  14  -5.413 -11.117   3.321
  104   HD22  ASN  14          HD22      ASN  14  -7.064 -10.656   3.543
  105    H    SER  15           HN       SER  15  -4.177 -10.792  -1.843
  106    HA   SER  15           HA       SER  15  -1.642 -11.973  -1.822
  107    HB2  SER  15           HB2      SER  15  -1.752 -11.559  -4.365
  108    HB3  SER  15           HB1      SER  15  -3.092 -12.468  -3.659
  109    HG   SER  15           HG       SER  15  -4.404 -10.753  -3.876
  110    H    VAL  16           HN       VAL  16  -2.683  -8.706  -2.342
  111    HA   VAL  16           HA       VAL  16  -0.193  -7.546  -2.992
  112    HB   VAL  16           HB       VAL  16  -2.845  -6.603  -2.045
  113   HG11  VAL  16          HG11      VAL  16  -2.119  -4.306  -1.834
  114   HG12  VAL  16          HG12      VAL  16  -0.438  -4.806  -2.040
  115   HG13  VAL  16          HG13      VAL  16  -1.350  -5.331  -0.622
  116   HG21  VAL  16          HG21      VAL  16  -2.677  -5.191  -4.043
  117   HG22  VAL  16          HG22      VAL  16  -2.420  -6.895  -4.416
  118   HG23  VAL  16          HG23      VAL  16  -1.044  -5.795  -4.321
  119    H    ASN  17           HN       ASN  17  -1.842  -8.221   0.099
  120    HA   ASN  17           HA       ASN  17   0.025  -6.768   1.693
  121    HB2  ASN  17           HB2      ASN  17  -2.117  -8.742   2.227
  122    HB3  ASN  17           HB1      ASN  17  -0.852  -8.627   3.445
  123   HD21  ASN  17          HD21      ASN  17  -3.456  -6.973   1.848
  124   HD22  ASN  17          HD22      ASN  17  -3.591  -5.676   2.991
  125    H    ASP  18           HN       ASP  18  -0.093 -10.095   0.545
  126    HA   ASP  18           HA       ASP  18   2.312 -10.866   1.918
  127    HB2  ASP  18           HB2      ASP  18   0.709 -12.163  -0.285
  128    HB3  ASP  18           HB1      ASP  18   2.215 -12.853   0.321
  129    H    LYS  19           HN       LYS  19   1.566  -9.233  -0.991
  130    HA   LYS  19           HA       LYS  19   4.063  -9.701  -2.329
  131    HB2  LYS  19           HB2      LYS  19   2.037  -9.039  -3.570
  132    HB3  LYS  19           HB1      LYS  19   1.989  -7.518  -2.692
  133    HG2  LYS  19           HG2      LYS  19   2.879  -7.129  -4.876
  134    HG3  LYS  19           HG1      LYS  19   4.177  -6.925  -3.693
  135    HD2  LYS  19           HD2      LYS  19   4.861  -9.278  -4.169
  136    HD3  LYS  19           HD1      LYS  19   3.684  -9.300  -5.481
  137    HE2  LYS  19           HE2      LYS  19   5.984  -7.367  -5.237
  138    HE3  LYS  19           HE1      LYS  19   5.972  -8.801  -6.260
  139    HZ1  LYS  19           HZ1      LYS  19   5.439  -6.727  -7.457
  140    HZ2  LYS  19           HZ2      LYS  19   4.044  -6.556  -6.515
  141    HZ3  LYS  19           HZ3      LYS  19   4.202  -7.879  -7.556
  142    H    LEU  20           HN       LEU  20   2.703  -7.384  -0.139
  143    HA   LEU  20           HA       LEU  20   4.972  -5.639  -0.110
  144    HB2  LEU  20           HB2      LEU  20   2.551  -5.931   1.656
  145    HB3  LEU  20           HB1      LEU  20   3.767  -4.685   1.889
  146    HG   LEU  20           HG       LEU  20   2.288  -4.990  -0.713
  147   HD11  LEU  20          HD11      LEU  20   0.808  -3.177   0.052
  148   HD12  LEU  20          HD12      LEU  20   1.492  -3.325   1.669
  149   HD13  LEU  20          HD13      LEU  20   0.591  -4.665   0.969
  150   HD21  LEU  20          HD21      LEU  20   3.786  -2.709   0.567
  151   HD22  LEU  20          HD22      LEU  20   2.929  -2.633  -0.972
  152   HD23  LEU  20          HD23      LEU  20   4.329  -3.691  -0.793
  153    H    ASN  21           HN       ASN  21   3.738  -8.241   1.941
  154    HA   ASN  21           HA       ASN  21   6.123  -8.064   3.623
  155    HB2  ASN  21           HB2      ASN  21   3.589  -9.707   3.812
  156    HB3  ASN  21           HB1      ASN  21   4.965  -9.953   4.887
  157   HD21  ASN  21          HD21      ASN  21   2.365  -7.799   3.983
  158   HD22  ASN  21          HD22      ASN  21   2.467  -6.786   5.389
  159    H    LYS  22           HN       LYS  22   7.669  -8.736   2.041
  160    HA   LYS  22           HA       LYS  22   7.426 -11.541   1.188
  161    HB2  LYS  22           HB2      LYS  22   8.970 -10.676  -0.768
  162    HB3  LYS  22           HB1      LYS  22   7.217 -10.540  -0.846
  163    HG2  LYS  22           HG2      LYS  22   8.170  -8.493  -1.601
  164    HG3  LYS  22           HG1      LYS  22   7.415  -8.206  -0.037
  165    HD2  LYS  22           HD2      LYS  22  10.052  -8.865   0.575
  166    HD3  LYS  22           HD1      LYS  22  10.170  -7.833  -0.858
  167    HE2  LYS  22           HE2      LYS  22   8.930  -7.216   1.802
  168    HE3  LYS  22           HE1      LYS  22  10.201  -6.324   0.971
  169    HZ1  LYS  22           HZ1      LYS  22   8.391  -5.968  -0.807
  170    HZ2  LYS  22           HZ2      LYS  22   8.332  -5.055   0.620
  171    HZ3  LYS  22           HZ3      LYS  22   7.307  -6.384   0.424
  172    H    GLY  23           HN       GLY  23   9.267  -9.539   3.103
  173    HA2  GLY  23           HA2      GLY  23  11.153 -11.221   3.954
  174    HA3  GLY  23           HA1      GLY  23  11.837 -10.726   2.408
  175    H    LYS  24           HN       LYS  24  12.222  -8.412   2.083
  176    HA   LYS  24           HA       LYS  24  12.978  -7.038   4.516
  177    HB2  LYS  24           HB2      LYS  24  14.118  -7.115   2.082
  178    HB3  LYS  24           HB1      LYS  24  13.103  -5.683   1.878
  179    HG2  LYS  24           HG2      LYS  24  14.123  -4.713   3.894
  180    HG3  LYS  24           HG1      LYS  24  15.198  -6.111   3.996
  181    HD2  LYS  24           HD2      LYS  24  14.995  -4.560   1.471
  182    HD3  LYS  24           HD1      LYS  24  15.988  -3.944   2.797
  183    HE2  LYS  24           HE2      LYS  24  17.182  -6.140   2.800
  184    HE3  LYS  24           HE1      LYS  24  16.265  -6.580   1.359
  185    HZ1  LYS  24           HZ1      LYS  24  18.154  -4.304   1.612
  186    HZ2  LYS  24           HZ2      LYS  24  17.221  -4.635   0.239
  187    HZ3  LYS  24           HZ3      LYS  24  18.409  -5.732   0.737
  188    H    GLY  25           HN       GLY  25  12.478  -4.415   3.450
  189    HA2  GLY  25           HA2      GLY  25  10.490  -3.288   4.612
  190    HA3  GLY  25           HA1      GLY  25  10.751  -2.923   2.944
  191    H    LYS  26           HN       LYS  26   8.662  -3.957   5.253
  192    HA   LYS  26           HA       LYS  26   6.854  -5.099   3.243
  193    HB2  LYS  26           HB2      LYS  26   5.795  -6.258   5.212
  194    HB3  LYS  26           HB1      LYS  26   7.419  -6.784   4.775
  195    HG2  LYS  26           HG2      LYS  26   8.001  -4.906   6.599
  196    HG3  LYS  26           HG1      LYS  26   6.459  -5.485   7.233
  197    HD2  LYS  26           HD2      LYS  26   7.958  -6.963   8.206
  198    HD3  LYS  26           HD1      LYS  26   7.496  -7.835   6.746
  199    HE2  LYS  26           HE2      LYS  26   9.505  -6.728   5.627
  200    HE3  LYS  26           HE1      LYS  26   9.995  -6.250   7.254
  201    HZ1  LYS  26           HZ1      LYS  26  10.106  -8.528   7.925
  202    HZ2  LYS  26           HZ2      LYS  26  11.034  -8.335   6.521
  203    HZ3  LYS  26           HZ3      LYS  26   9.506  -9.056   6.435
  204    H    LEU  27           HN       LEU  27   4.483  -4.924   4.076
  205    HA   LEU  27           HA       LEU  27   3.894  -2.377   5.282
  206    HB2  LEU  27           HB2      LEU  27   4.650  -2.079   2.800
  207    HB3  LEU  27           HB1      LEU  27   3.077  -2.745   2.413
  208    HG   LEU  27           HG       LEU  27   3.547  -0.217   3.998
  209   HD11  LEU  27          HD11      LEU  27   2.652  -0.621   1.145
  210   HD12  LEU  27          HD12      LEU  27   4.208   0.023   1.666
  211   HD13  LEU  27          HD13      LEU  27   2.727   0.922   1.994
  212   HD21  LEU  27          HD21      LEU  27   1.471  -1.306   4.620
  213   HD22  LEU  27          HD22      LEU  27   1.021  -1.453   2.923
  214   HD23  LEU  27          HD23      LEU  27   1.144   0.141   3.666
  215    H    SER  28           HN       SER  28   2.226  -2.946   6.519
  216    HA   SER  28           HA       SER  28   0.301  -4.922   5.565
  217    HB2  SER  28           HB2      SER  28   0.592  -3.530   8.242
  218    HB3  SER  28           HB1      SER  28  -0.614  -4.769   7.873
  219    HG   SER  28           HG       SER  28   0.932  -6.283   7.780
  220    H    LEU  29           HN       LEU  29  -1.641  -4.390   4.771
  221    HA   LEU  29           HA       LEU  29  -2.326  -1.539   4.652
  222    HB2  LEU  29           HB2      LEU  29  -3.370  -3.891   3.084
  223    HB3  LEU  29           HB1      LEU  29  -3.883  -2.226   2.860
  224    HG   LEU  29           HG       LEU  29  -1.113  -3.313   2.356
  225   HD11  LEU  29          HD11      LEU  29  -2.756  -3.986   0.682
  226   HD12  LEU  29          HD12      LEU  29  -1.604  -2.822   0.026
  227   HD13  LEU  29          HD13      LEU  29  -3.230  -2.301   0.467
  228   HD21  LEU  29          HD21      LEU  29  -2.241  -0.544   2.025
  229   HD22  LEU  29          HD22      LEU  29  -0.663  -1.080   1.446
  230   HD23  LEU  29          HD23      LEU  29  -1.002  -1.045   3.176
  231    H    SER  30           HN       SER  30  -4.065  -0.662   5.544
  232    HA   SER  30           HA       SER  30  -6.337  -2.379   5.967
  233    HB2  SER  30           HB2      SER  30  -5.285  -0.631   8.204
  234    HB3  SER  30           HB1      SER  30  -6.724  -1.651   8.264
  235    HG   SER  30           HG       SER  30  -4.794  -3.239   7.516
  236    H    MET  31           HN       MET  31  -8.155  -1.398   5.354
  237    HA   MET  31           HA       MET  31  -8.032   1.499   4.809
  238    HB2  MET  31           HB2      MET  31  -9.485  -0.693   3.304
  239    HB3  MET  31           HB1      MET  31  -9.669   1.019   2.975
  240    HG2  MET  31           HG2      MET  31  -8.212   0.078   1.348
  241    HG3  MET  31           HG1      MET  31  -7.272   1.126   2.400
  242    HE1  MET  31           HE1      MET  31  -7.191  -3.482   2.690
  243    HE2  MET  31           HE2      MET  31  -8.279  -2.577   1.639
  244    HE3  MET  31           HE3      MET  31  -8.485  -2.508   3.387
  245    H    ASN  32           HN       ASN  32  -9.618   2.738   5.682
  246    HA   ASN  32           HA       ASN  32 -12.158   1.499   6.327
  247    HB2  ASN  32           HB2      ASN  32 -12.144   2.404   8.661
  248    HB3  ASN  32           HB1      ASN  32 -11.025   1.073   8.386
  249   HD21  ASN  32          HD21      ASN  32 -11.396   4.321   9.350
  250   HD22  ASN  32          HD22      ASN  32  -9.724   4.657   9.668
  251    H    GLY  33           HN       GLY  33 -12.978   2.812   4.723
  252    HA2  GLY  33           HA2      GLY  33 -14.216   4.599   4.024
  253    HA3  GLY  33           HA1      GLY  33 -14.275   5.081   5.711
  254    H    ASN  34           HN       ASN  34 -12.801   6.642   6.474
  255    HA   ASN  34           HA       ASN  34 -11.598   8.216   4.314
  256    HB2  ASN  34           HB2      ASN  34 -13.460   9.170   5.859
  257    HB3  ASN  34           HB1      ASN  34 -12.177   9.306   7.054
  258   HD21  ASN  34          HD21      ASN  34 -10.150   9.883   4.975
  259   HD22  ASN  34          HD22      ASN  34 -10.441  11.533   4.509
  260    H    GLN  35           HN       GLN  35 -10.295   5.942   5.570
  261    HA   GLN  35           HA       GLN  35  -7.855   7.353   6.227
  262    HB2  GLN  35           HB2      GLN  35  -8.819   7.034   8.421
  263    HB3  GLN  35           HB1      GLN  35  -9.042   5.315   8.102
  264    HG2  GLN  35           HG2      GLN  35  -6.613   5.049   7.900
  265    HG3  GLN  35           HG1      GLN  35  -6.411   6.763   8.272
  266   HE21  GLN  35          HE21      GLN  35  -6.823   7.508  10.345
  267   HE22  GLN  35          HE22      GLN  35  -6.910   6.438  11.708
  268    H    LEU  36           HN       LEU  36  -6.076   6.398   5.575
  269    HA   LEU  36           HA       LEU  36  -6.081   3.507   5.045
  270    HB2  LEU  36           HB2      LEU  36  -5.825   4.977   2.992
  271    HB3  LEU  36           HB1      LEU  36  -4.344   5.588   3.691
  272    HG   LEU  36           HG       LEU  36  -4.008   3.870   1.918
  273   HD11  LEU  36          HD11      LEU  36  -2.345   2.530   3.116
  274   HD12  LEU  36          HD12      LEU  36  -3.004   3.097   4.651
  275   HD13  LEU  36          HD13      LEU  36  -2.246   4.239   3.541
  276   HD21  LEU  36          HD21      LEU  36  -4.462   1.542   2.395
  277   HD22  LEU  36          HD22      LEU  36  -5.950   2.487   2.429
  278   HD23  LEU  36          HD23      LEU  36  -5.192   1.980   3.939
  279    H    LYS  37           HN       LYS  37  -4.892   2.515   6.577
  280    HA   LYS  37           HA       LYS  37  -2.612   4.019   7.718
  281    HB2  LYS  37           HB2      LYS  37  -3.047   2.810   9.872
  282    HB3  LYS  37           HB1      LYS  37  -4.286   3.982   9.438
  283    HG2  LYS  37           HG2      LYS  37  -5.815   2.281   8.839
  284    HG3  LYS  37           HG1      LYS  37  -4.557   1.043   8.879
  285    HD2  LYS  37           HD2      LYS  37  -4.347   1.246  11.259
  286    HD3  LYS  37           HD1      LYS  37  -5.430   2.638  11.282
  287    HE2  LYS  37           HE2      LYS  37  -6.309  -0.058  10.290
  288    HE3  LYS  37           HE1      LYS  37  -6.395   0.385  11.993
  289    HZ1  LYS  37           HZ1      LYS  37  -7.802   2.264  11.380
  290    HZ2  LYS  37           HZ2      LYS  37  -8.490   0.798  10.897
  291    HZ3  LYS  37           HZ3      LYS  37  -7.748   1.799   9.754
  292    H    ALA  38           HN       ALA  38  -0.802   2.793   8.232
  293    HA   ALA  38           HA       ALA  38  -0.733   0.046   7.255
  294    HB1  ALA  38           HB1      ALA  38   0.915   2.257   6.037
  295    HB2  ALA  38           HB2      ALA  38  -0.401   1.382   5.252
  296    HB3  ALA  38           HB3      ALA  38   1.085   0.537   5.688
  297    H    THR  39           HN       THR  39   1.412  -0.932   7.561
  298    HA   THR  39           HA       THR  39   3.183   0.472   9.411
  299    HB   THR  39           HB       THR  39   3.521  -1.574  10.744
  300    HG1  THR  39           HG1      THR  39   2.846  -3.099   9.199
  301   HG21  THR  39          HG21      THR  39   0.628  -0.713  10.654
  302   HG22  THR  39          HG22      THR  39   1.915   0.098  11.544
  303   HG23  THR  39          HG23      THR  39   1.423  -1.533  11.997
  304    H    SER  40           HN       SER  40   5.331  -0.015   9.112
  305    HA   SER  40           HA       SER  40   5.991  -2.017   7.053
  306    HB2  SER  40           HB2      SER  40   7.172   0.743   7.377
  307    HB3  SER  40           HB1      SER  40   7.789  -0.492   6.276
  308    HG   SER  40           HG       SER  40   5.576  -0.499   5.393
  309    H    SER  41           HN       SER  41   7.182  -3.548   7.924
  310    HA   SER  41           HA       SER  41   8.739  -2.901  10.297
  311    HB2  SER  41           HB2      SER  41   7.768  -5.547   9.238
  312    HB3  SER  41           HB1      SER  41   8.785  -5.374  10.668
  313    HG   SER  41           HG       SER  41   7.004  -3.827  11.333
  314    H    ASN  42           HN       ASN  42  10.641  -4.772  10.397
  315    HA   ASN  42           HA       ASN  42  12.840  -4.912   9.913
  316    HB2  ASN  42           HB2      ASN  42  11.750  -4.641   7.144
  317    HB3  ASN  42           HB1      ASN  42  13.473  -4.389   7.385
  318   HD21  ASN  42          HD21      ASN  42  13.563  -6.335   9.604
  319   HD22  ASN  42          HD22      ASN  42  13.477  -7.893   8.850
  320    H    ALA  43           HN       ALA  43  11.870  -2.708  11.046
  321    HA   ALA  43           HA       ALA  43  12.414  -0.603  11.655
  322    HB1  ALA  43           HB1      ALA  43  14.657  -1.562  11.712
  323    HB2  ALA  43           HB2      ALA  43  14.685   0.142  11.255
  324    HB3  ALA  43           HB3      ALA  43  14.893  -1.105  10.026
  325    H    GLY  44           HN       GLY  44  11.006  -1.110   9.059
  326    HA2  GLY  44           HA2      GLY  44   9.988   0.238   7.506
  327    HA3  GLY  44           HA1      GLY  44  10.763   1.610   8.288
  328    H    TYR  45           HN       TYR  45  12.802  -0.953   7.169
  329    HA   TYR  45           HA       TYR  45  14.194   0.762   5.392
  330    HB2  TYR  45           HB2      TYR  45  14.354  -2.162   6.016
  331    HB3  TYR  45           HB1      TYR  45  15.204  -1.529   4.610
  332    HD1  TYR  45           HD1      TYR  45  16.695   0.586   5.066
  333    HD2  TYR  45           HD2      TYR  45  15.508  -2.181   8.081
  334    HE1  TYR  45           HE1      TYR  45  18.595   1.285   6.458
  335    HE2  TYR  45           HE2      TYR  45  17.402  -1.480   9.471
  336    HH   TYR  45           HH       TYR  45  19.653  -0.447   9.132
  337    H    GLY  46           HN       GLY  46  14.742  -0.405   3.096
  338    HA2  GLY  46           HA2      GLY  46  12.363   0.129   1.601
  339    HA3  GLY  46           HA1      GLY  46  13.927  -0.318   0.940
  340    H    ILE  47           HN       ILE  47  11.484  -1.191  -0.031
  341    HA   ILE  47           HA       ILE  47  10.511  -3.655   0.758
  342    HB   ILE  47           HB       ILE  47  11.060  -2.701  -2.028
  343   HG12  ILE  47          HG12      ILE  47   9.548  -1.226  -0.683
  344   HG13  ILE  47          HG11      ILE  47   8.749  -1.935  -2.082
  345   HG21  ILE  47          HG21      ILE  47   9.699  -5.105  -0.994
  346   HG22  ILE  47          HG22      ILE  47  10.754  -4.905  -2.392
  347   HG23  ILE  47          HG23      ILE  47   9.074  -4.360  -2.461
  348   HD11  ILE  47          HD11      ILE  47   7.287  -1.969  -0.177
  349   HD12  ILE  47          HD12      ILE  47   8.496  -2.834   0.772
  350   HD13  ILE  47          HD13      ILE  47   7.735  -3.619  -0.612
  351    H    SER  48           HN       SER  48  12.972  -3.032  -1.685
  352    HA   SER  48           HA       SER  48  14.199  -5.549  -0.986
  353    HB2  SER  48           HB2      SER  48  12.757  -6.081  -2.853
  354    HB3  SER  48           HB1      SER  48  13.432  -4.743  -3.792
  355    HG   SER  48           HG       SER  48  14.885  -6.084  -4.443
  356    H    TYR  49           HN       TYR  49  14.911  -3.443  -3.761
  357    HA   TYR  49           HA       TYR  49  16.777  -1.804  -2.512
  358    HB2  TYR  49           HB2      TYR  49  18.894  -2.799  -2.899
  359    HB3  TYR  49           HB1      TYR  49  17.880  -3.992  -2.103
  360    HD1  TYR  49           HD1      TYR  49  17.184  -6.023  -3.221
  361    HD2  TYR  49           HD2      TYR  49  19.586  -3.160  -5.302
  362    HE1  TYR  49           HE1      TYR  49  17.695  -7.688  -4.942
  363    HE2  TYR  49           HE2      TYR  49  20.084  -4.834  -7.013
  364    HH   TYR  49           HH       TYR  49  18.381  -7.711  -7.336
  365    H    GLU  50           HN       GLU  50  15.573  -3.260  -5.419
  366    HA   GLU  50           HA       GLU  50  17.033  -1.327  -7.056
  367    HB2  GLU  50           HB2      GLU  50  16.228  -2.592  -8.976
  368    HB3  GLU  50           HB1      GLU  50  17.056  -3.635  -7.827
  369    HG2  GLU  50           HG2      GLU  50  14.077  -3.353  -7.880
  370    HG3  GLU  50           HG1      GLU  50  14.947  -4.501  -8.895
  371    H    ASP  51           HN       ASP  51  15.652  -0.550  -9.008
  372    HA   ASP  51           HA       ASP  51  13.640   1.109  -7.730
  373    HB2  ASP  51           HB2      ASP  51  15.440   2.196  -9.001
  374    HB3  ASP  51           HB1      ASP  51  14.937   1.329 -10.453
  375    H    LYS  52           HN       LYS  52  11.657   0.323  -7.729
  376    HA   LYS  52           HA       LYS  52  10.609  -0.760 -10.255
  377    HB2  LYS  52           HB2      LYS  52   9.682  -1.483  -7.477
  378    HB3  LYS  52           HB1      LYS  52   9.094  -2.158  -8.988
  379    HG2  LYS  52           HG2      LYS  52  11.798  -2.535  -7.741
  380    HG3  LYS  52           HG1      LYS  52  10.547  -3.744  -8.020
  381    HD2  LYS  52           HD2      LYS  52  10.806  -3.107 -10.506
  382    HD3  LYS  52           HD1      LYS  52  12.332  -2.371  -9.987
  383    HE2  LYS  52           HE2      LYS  52  12.690  -4.643 -10.808
  384    HE3  LYS  52           HE1      LYS  52  13.057  -4.527  -9.090
  385    HZ1  LYS  52           HZ1      LYS  52  10.946  -5.532  -8.578
  386    HZ2  LYS  52           HZ2      LYS  52  11.802  -6.528  -9.642
  387    HZ3  LYS  52           HZ3      LYS  52  10.522  -5.582 -10.215
  388    H    ASN  53           HN       ASN  53   8.430  -0.359 -10.708
  389    HA   ASN  53           HA       ASN  53   7.554   2.258  -9.794
  390    HB2  ASN  53           HB2      ASN  53   5.740   1.771 -11.621
  391    HB3  ASN  53           HB1      ASN  53   7.380   2.187 -12.100
  392   HD21  ASN  53          HD21      ASN  53   5.020  -0.366 -11.871
  393   HD22  ASN  53          HD22      ASN  53   5.857  -1.490 -12.890
  394    H    TRP  54           HN       TRP  54   6.585   2.141  -7.902
  395    HA   TRP  54           HA       TRP  54   4.493   0.137  -7.504
  396    HB2  TRP  54           HB2      TRP  54   6.523   1.250  -5.848
  397    HB3  TRP  54           HB1      TRP  54   4.935   1.726  -5.227
  398    HD1  TRP  54           HD1      TRP  54   7.063  -1.403  -5.753
  399    HE1  TRP  54           HE1      TRP  54   5.858  -3.358  -4.547
  400    HE3  TRP  54           HE3      TRP  54   2.807   0.997  -4.622
  401    HZ2  TRP  54           HZ2      TRP  54   3.299  -3.761  -3.279
  402    HZ3  TRP  54           HZ3      TRP  54   1.027  -0.146  -3.478
  403    HH2  TRP  54           HH2      TRP  54   1.253  -2.485  -2.784
  404    H    GLY  55           HN       GLY  55   2.432   0.864  -6.400
  405    HA2  GLY  55           HA2      GLY  55   1.960   3.698  -6.579
  406    HA3  GLY  55           HA1      GLY  55   1.156   2.741  -7.772
  407    H    ILE  56           HN       ILE  56   0.124   4.488  -5.752
  408    HA   ILE  56           HA       ILE  56  -1.715   2.571  -4.473
  409    HB   ILE  56           HB       ILE  56  -0.859   5.311  -3.531
  410   HG12  ILE  56          HG12      ILE  56  -0.423   3.893  -1.429
  411   HG13  ILE  56          HG11      ILE  56  -0.551   2.503  -2.511
  412   HG21  ILE  56          HG21      ILE  56  -2.439   5.019  -1.671
  413   HG22  ILE  56          HG22      ILE  56  -3.051   3.552  -2.433
  414   HG23  ILE  56          HG23      ILE  56  -3.263   5.110  -3.228
  415   HD11  ILE  56          HD11      ILE  56   1.437   4.759  -2.726
  416   HD12  ILE  56          HD12      ILE  56   1.319   3.382  -3.819
  417   HD13  ILE  56          HD13      ILE  56   1.765   3.131  -2.131
  418    H    PHE  57           HN       PHE  57  -3.764   2.661  -5.101
  419    HA   PHE  57           HA       PHE  57  -4.662   5.014  -6.634
  420    HB2  PHE  57           HB2      PHE  57  -5.383   2.144  -7.256
  421    HB3  PHE  57           HB1      PHE  57  -5.782   3.569  -8.206
  422    HD1  PHE  57           HD1      PHE  57  -3.141   1.216  -7.274
  423    HD2  PHE  57           HD2      PHE  57  -4.148   4.614  -9.625
  424    HE1  PHE  57           HE1      PHE  57  -1.068   0.928  -8.569
  425    HE2  PHE  57           HE2      PHE  57  -2.081   4.328 -10.925
  426    HZ   PHE  57           HZ       PHE  57  -0.541   2.491 -10.393
  427    H    VAL  58           HN       VAL  58  -6.913   5.422  -6.586
  428    HA   VAL  58           HA       VAL  58  -8.574   3.750  -4.885
  429    HB   VAL  58           HB       VAL  58  -7.790   5.396  -3.291
  430   HG11  VAL  58          HG11      VAL  58  -7.134   7.182  -4.800
  431   HG12  VAL  58          HG12      VAL  58  -8.235   7.790  -3.564
  432   HG13  VAL  58          HG13      VAL  58  -8.824   7.490  -5.199
  433   HG21  VAL  58          HG21      VAL  58  -9.943   6.355  -2.597
  434   HG22  VAL  58          HG22      VAL  58 -10.080   4.661  -3.068
  435   HG23  VAL  58          HG23      VAL  58 -10.623   5.928  -4.167
  436    H    ASN  59           HN       ASN  59 -10.215   3.244  -6.092
  437    HA   ASN  59           HA       ASN  59 -11.826   3.251  -7.678
  438    HB2  ASN  59           HB2      ASN  59 -12.021   6.109  -6.731
  439    HB3  ASN  59           HB1      ASN  59 -13.166   5.394  -7.859
  440   HD21  ASN  59          HD21      ASN  59 -14.914   5.541  -6.535
  441   HD22  ASN  59          HD22      ASN  59 -15.097   4.613  -5.089
  442    H    GLY  60           HN       GLY  60  -9.221   3.567  -8.703
  443    HA2  GLY  60           HA2      GLY  60  -8.541   3.680 -10.937
  444    HA3  GLY  60           HA1      GLY  60  -9.960   4.654 -11.295
  445    H    GLU  61           HN       GLU  61  -8.698   6.090  -8.661
  446    HA   GLU  61           HA       GLU  61  -7.141   7.966 -10.312
  447    HB2  GLU  61           HB2      GLU  61  -9.287   8.425  -8.632
  448    HB3  GLU  61           HB1      GLU  61  -7.908   8.847  -7.622
  449    HG2  GLU  61           HG2      GLU  61  -8.413   9.971 -10.368
  450    HG3  GLU  61           HG1      GLU  61  -8.894  10.751  -8.862
  451    H    LYS  62           HN       LYS  62  -5.153   8.777  -9.479
  452    HA   LYS  62           HA       LYS  62  -3.791   6.747  -7.877
  453    HB2  LYS  62           HB2      LYS  62  -2.712   9.050  -9.508
  454    HB3  LYS  62           HB1      LYS  62  -1.718   7.886  -8.635
  455    HG2  LYS  62           HG2      LYS  62  -2.724   6.085 -10.022
  456    HG3  LYS  62           HG1      LYS  62  -3.550   7.332 -10.958
  457    HD2  LYS  62           HD2      LYS  62  -1.545   6.670 -12.120
  458    HD3  LYS  62           HD1      LYS  62  -1.337   8.312 -11.510
  459    HE2  LYS  62           HE2      LYS  62  -0.069   7.438  -9.609
  460    HE3  LYS  62           HE1      LYS  62  -0.281   5.800 -10.217
  461    HZ1  LYS  62           HZ1      LYS  62   0.990   6.376 -12.167
  462    HZ2  LYS  62           HZ2      LYS  62   1.886   6.730 -10.775
  463    HZ3  LYS  62           HZ3      LYS  62   1.145   7.976 -11.641
  464    H    VAL  63           HN       VAL  63  -2.919   7.094  -5.918
  465    HA   VAL  63           HA       VAL  63  -3.319   9.737  -4.712
  466    HB   VAL  63           HB       VAL  63  -2.663   7.212  -3.275
  467   HG11  VAL  63          HG11      VAL  63  -3.538   8.414  -1.315
  468   HG12  VAL  63          HG12      VAL  63  -3.751   9.844  -2.323
  469   HG13  VAL  63          HG13      VAL  63  -2.134   9.206  -2.028
  470   HG21  VAL  63          HG21      VAL  63  -5.034   7.043  -2.694
  471   HG22  VAL  63          HG22      VAL  63  -4.776   6.902  -4.433
  472   HG23  VAL  63          HG23      VAL  63  -5.378   8.413  -3.750
  473    H    TYR  64           HN       TYR  64  -0.941   7.098  -4.858
  474    HA   TYR  64           HA       TYR  64   1.187   9.067  -5.012
  475    HB2  TYR  64           HB2      TYR  64   0.701   8.489  -2.543
  476    HB3  TYR  64           HB1      TYR  64   1.388   6.908  -2.917
  477    HD1  TYR  64           HD1      TYR  64   2.083  10.458  -2.448
  478    HD2  TYR  64           HD2      TYR  64   3.780   6.674  -3.390
  479    HE1  TYR  64           HE1      TYR  64   4.325  11.374  -2.063
  480    HE2  TYR  64           HE2      TYR  64   6.038   7.584  -3.012
  481    HH   TYR  64           HH       TYR  64   7.154   9.812  -3.021
  482    H    THR  65           HN       THR  65   3.117   8.226  -5.855
  483    HA   THR  65           HA       THR  65   3.080   5.389  -6.670
  484    HB   THR  65           HB       THR  65   4.162   7.731  -8.266
  485    HG1  THR  65           HG1      THR  65   1.902   7.627  -8.375
  486   HG21  THR  65          HG21      THR  65   4.540   6.103 -10.057
  487   HG22  THR  65          HG22      THR  65   4.020   4.806  -8.983
  488   HG23  THR  65          HG23      THR  65   5.486   5.716  -8.621
  489    H    PHE  66           HN       PHE  66   4.938   4.301  -5.999
  490    HA   PHE  66           HA       PHE  66   7.209   5.982  -5.225
  491    HB2  PHE  66           HB2      PHE  66   7.420   5.176  -3.045
  492    HB3  PHE  66           HB1      PHE  66   5.705   5.482  -3.242
  493    HD1  PHE  66           HD1      PHE  66   4.095   3.706  -3.145
  494    HD2  PHE  66           HD2      PHE  66   8.260   2.905  -2.781
  495    HE1  PHE  66           HE1      PHE  66   3.589   1.507  -2.160
  496    HE2  PHE  66           HE2      PHE  66   7.761   0.701  -1.822
  497    HZ   PHE  66           HZ       PHE  66   5.426   0.001  -1.492
  498    H    ASN  67           HN       ASN  67   9.060   4.404  -4.358
  499    HA   ASN  67           HA       ASN  67   9.343   2.325  -6.429
  500    HB2  ASN  67           HB2      ASN  67  11.550   4.082  -5.328
  501    HB3  ASN  67           HB1      ASN  67  11.696   2.895  -6.625
  502   HD21  ASN  67          HD21      ASN  67  10.683   6.067  -5.743
  503   HD22  ASN  67          HD22      ASN  67  10.337   6.628  -7.341
  504    H    GLU  68           HN       GLU  68  10.306   0.429  -5.865
  505    HA   GLU  68           HA       GLU  68   9.958  -0.432  -3.208
  506    HB2  GLU  68           HB2      GLU  68  10.866  -1.615  -5.735
  507    HB3  GLU  68           HB1      GLU  68  11.488  -2.396  -4.291
  508    HG2  GLU  68           HG2      GLU  68   9.365  -2.918  -3.512
  509    HG3  GLU  68           HG1      GLU  68   8.578  -1.811  -4.621
  510    H    LYS  69           HN       LYS  69  12.614   1.198  -4.513
  511    HA   LYS  69           HA       LYS  69  14.452  -0.013  -2.603
  512    HB2  LYS  69           HB2      LYS  69  16.187   1.303  -3.675
  513    HB3  LYS  69           HB1      LYS  69  15.277   0.392  -4.868
  514    HG2  LYS  69           HG2      LYS  69  13.935   2.542  -5.206
  515    HG3  LYS  69           HG1      LYS  69  15.251   3.331  -4.337
  516    HD2  LYS  69           HD2      LYS  69  16.773   2.018  -6.000
  517    HD3  LYS  69           HD1      LYS  69  15.309   1.947  -6.979
  518    HE2  LYS  69           HE2      LYS  69  16.663   4.442  -5.966
  519    HE3  LYS  69           HE1      LYS  69  16.699   3.825  -7.616
  520    HZ1  LYS  69           HZ1      LYS  69  15.099   5.607  -7.380
  521    HZ2  LYS  69           HZ2      LYS  69  14.286   4.765  -6.166
  522    HZ3  LYS  69           HZ3      LYS  69  14.299   4.162  -7.751
  523    H    SER  70           HN       SER  70  12.149   2.319  -2.585
  524    HA   SER  70           HA       SER  70  13.536   4.118  -0.785
  525    HB2  SER  70           HB2      SER  70  10.607   4.052  -1.567
  526    HB3  SER  70           HB1      SER  70  11.457   5.383  -0.772
  527    HG   SER  70           HG       SER  70  12.856   4.964  -2.885
  528    H    THR  71           HN       THR  71  12.627   4.469   1.418
  529    HA   THR  71           HA       THR  71  12.218   1.942   2.688
  530    HB   THR  71           HB       THR  71  12.146   3.349   4.785
  531    HG1  THR  71           HG1      THR  71  12.987   5.492   3.116
  532   HG21  THR  71          HG21      THR  71  14.232   2.344   3.966
  533   HG22  THR  71          HG22      THR  71  14.527   3.902   4.736
  534   HG23  THR  71          HG23      THR  71  14.530   3.773   2.978
  535    H    VAL  72           HN       VAL  72  10.316   1.036   2.761
  536    HA   VAL  72           HA       VAL  72   7.936   2.264   2.014
  537    HB   VAL  72           HB       VAL  72   7.217   0.103   3.714
  538   HG11  VAL  72          HG11      VAL  72   7.584   0.223   0.725
  539   HG12  VAL  72          HG12      VAL  72   6.138   0.722   1.612
  540   HG13  VAL  72          HG13      VAL  72   6.640  -0.972   1.614
  541   HG21  VAL  72          HG21      VAL  72   9.636  -0.471   3.636
  542   HG22  VAL  72          HG22      VAL  72   9.476  -0.636   1.877
  543   HG23  VAL  72          HG23      VAL  72   8.563  -1.691   2.956
  544    H    GLY  73           HN       GLY  73   9.609   2.462   4.959
  545    HA2  GLY  73           HA2      GLY  73   7.274   2.806   6.629
  546    HA3  GLY  73           HA1      GLY  73   8.950   3.122   7.096
  547    H    ASN  74           HN       ASN  74   9.543   4.948   4.959
  548    HA   ASN  74           HA       ASN  74   8.239   7.311   5.965
  549    HB2  ASN  74           HB2      ASN  74  10.282   6.843   3.799
  550    HB3  ASN  74           HB1      ASN  74   9.528   8.417   4.022
  551   HD21  ASN  74          HD21      ASN  74  11.849   6.180   5.172
  552   HD22  ASN  74          HD22      ASN  74  12.466   7.159   6.470
  553    H    ILE  75           HN       ILE  75   7.952   5.174   3.253
  554    HA   ILE  75           HA       ILE  75   6.288   6.897   1.701
  555    HB   ILE  75           HB       ILE  75   6.650   3.906   1.484
  556   HG12  ILE  75          HG12      ILE  75   8.775   5.113   1.210
  557   HG13  ILE  75          HG11      ILE  75   8.246   4.425  -0.326
  558   HG21  ILE  75          HG21      ILE  75   5.531   5.898  -0.482
  559   HG22  ILE  75          HG22      ILE  75   4.612   4.685   0.411
  560   HG23  ILE  75          HG23      ILE  75   5.800   4.183  -0.793
  561   HD11  ILE  75          HD11      ILE  75   9.136   6.647  -0.640
  562   HD12  ILE  75          HD12      ILE  75   7.990   7.301   0.527
  563   HD13  ILE  75          HD13      ILE  75   7.409   6.631  -0.996
  564    H    SER  76           HN       SER  76   5.583   3.832   3.439
  565    HA   SER  76           HA       SER  76   2.864   3.880   2.849
  566    HB2  SER  76           HB2      SER  76   2.591   2.125   4.493
  567    HB3  SER  76           HB1      SER  76   4.086   1.861   3.593
  568    HG   SER  76           HG       SER  76   5.060   1.884   5.446
  569    H    ASN  77           HN       ASN  77   4.487   4.913   5.799
  570    HA   ASN  77           HA       ASN  77   1.935   5.547   6.945
  571    HB2  ASN  77           HB2      ASN  77   4.712   5.637   8.000
  572    HB3  ASN  77           HB1      ASN  77   3.429   6.522   8.829
  573   HD21  ASN  77          HD21      ASN  77   1.320   4.739   8.189
  574   HD22  ASN  77          HD22      ASN  77   1.542   3.290   9.110
  575    H    ASP  78           HN       ASP  78   4.225   7.461   5.151
  576    HA   ASP  78           HA       ASP  78   3.071   9.947   5.962
  577    HB2  ASP  78           HB2      ASP  78   4.690   9.080   3.625
  578    HB3  ASP  78           HB1      ASP  78   3.715  10.535   3.442
  579    H    ILE  79           HN       ILE  79   2.314   7.482   3.620
  580    HA   ILE  79           HA       ILE  79   0.091   8.670   2.407
  581    HB   ILE  79           HB       ILE  79   0.695   5.765   2.970
  582   HG12  ILE  79          HG12      ILE  79   0.921   7.382   0.424
  583   HG13  ILE  79          HG11      ILE  79   2.270   6.996   1.493
  584   HG21  ILE  79          HG21      ILE  79  -0.989   5.209   1.281
  585   HG22  ILE  79          HG22      ILE  79  -1.437   6.911   1.171
  586   HG23  ILE  79          HG23      ILE  79  -1.706   6.024   2.673
  587   HD11  ILE  79          HD11      ILE  79   2.215   5.523  -0.435
  588   HD12  ILE  79          HD12      ILE  79   0.583   5.010  -0.011
  589   HD13  ILE  79          HD13      ILE  79   1.932   4.621   1.054
  590    H    ASN  80           HN       ASN  80   0.570   7.482   5.600
  591    HA   ASN  80           HA       ASN  80  -2.198   7.028   6.127
  592    HB2  ASN  80           HB2      ASN  80   0.146   7.323   8.006
  593    HB3  ASN  80           HB1      ASN  80  -1.497   7.086   8.576
  594   HD21  ASN  80          HD21      ASN  80   0.064   5.558   5.799
  595   HD22  ASN  80          HD22      ASN  80  -0.006   3.955   6.445
  596    H    LYS  81           HN       LYS  81   0.075   9.636   6.781
  597    HA   LYS  81           HA       LYS  81  -1.535  11.302   8.287
  598    HB2  LYS  81           HB2      LYS  81   0.335  12.187   6.082
  599    HB3  LYS  81           HB1      LYS  81  -0.207  13.158   7.445
  600    HG2  LYS  81           HG2      LYS  81   0.949  11.578   8.965
  601    HG3  LYS  81           HG1      LYS  81   1.579  10.737   7.548
  602    HD2  LYS  81           HD2      LYS  81   2.076  13.621   8.283
  603    HD3  LYS  81           HD1      LYS  81   3.231  12.295   8.423
  604    HE2  LYS  81           HE2      LYS  81   3.149  11.980   5.993
  605    HE3  LYS  81           HE1      LYS  81   2.004  13.314   5.862
  606    HZ1  LYS  81           HZ1      LYS  81   3.679  14.809   6.707
  607    HZ2  LYS  81           HZ2      LYS  81   4.276  13.989   5.355
  608    HZ3  LYS  81           HZ3      LYS  81   4.772  13.535   6.904
  609    H    LEU  82           HN       LEU  82  -1.447  10.750   4.854
  610    HA   LEU  82           HA       LEU  82  -3.106  12.754   3.900
  611    HB2  LEU  82           HB2      LEU  82  -3.260   9.968   2.814
  612    HB3  LEU  82           HB1      LEU  82  -3.255  11.495   1.945
  613    HG   LEU  82           HG       LEU  82  -0.862  10.136   3.249
  614   HD11  LEU  82          HD11      LEU  82  -0.066  10.035   0.912
  615   HD12  LEU  82          HD12      LEU  82  -1.593  10.726   0.361
  616   HD13  LEU  82          HD13      LEU  82  -1.571   9.141   1.136
  617   HD21  LEU  82          HD21      LEU  82  -0.743  12.593   3.474
  618   HD22  LEU  82          HD22      LEU  82  -1.017  12.771   1.740
  619   HD23  LEU  82          HD23      LEU  82   0.450  11.986   2.326
  620    H    ASN  83           HN       ASN  83  -3.861   9.836   5.623
  621    HA   ASN  83           HA       ASN  83  -5.778   8.561   5.811
  622    HB2  ASN  83           HB2      ASN  83  -6.057  11.166   7.082
  623    HB3  ASN  83           HB1      ASN  83  -7.609  10.398   6.753
  624   HD21  ASN  83          HD21      ASN  83  -4.677   8.566   7.348
  625   HD22  ASN  83          HD22      ASN  83  -5.153   7.934   8.891
  626    H    ILE  84           HN       ILE  84  -6.158   8.021   3.697
  627    HA   ILE  84           HA       ILE  84  -7.328   9.715   1.786
  628    HB   ILE  84           HB       ILE  84  -7.351   6.708   1.688
  629   HG12  ILE  84          HG12      ILE  84  -5.117   8.622   0.995
  630   HG13  ILE  84          HG11      ILE  84  -5.129   7.470   2.341
  631   HG21  ILE  84          HG21      ILE  84  -7.162   7.066  -0.729
  632   HG22  ILE  84          HG22      ILE  84  -7.185   8.812  -0.474
  633   HG23  ILE  84          HG23      ILE  84  -8.605   7.844  -0.076
  634   HD11  ILE  84          HD11      ILE  84  -5.159   5.618   0.784
  635   HD12  ILE  84          HD12      ILE  84  -3.796   6.682   0.434
  636   HD13  ILE  84          HD13      ILE  84  -5.241   6.733  -0.579
  637    H    LYS  85           HN       LYS  85  -9.324  10.046   1.152
  638    HA   LYS  85           HA       LYS  85 -11.560   9.030   2.674
  639    HB2  LYS  85           HB2      LYS  85 -12.884  10.549   1.255
  640    HB3  LYS  85           HB1      LYS  85 -11.492  11.368   1.960
  641    HG2  LYS  85           HG2      LYS  85 -10.446  10.479  -0.417
  642    HG3  LYS  85           HG1      LYS  85 -12.122  10.852  -0.851
  643    HD2  LYS  85           HD2      LYS  85 -10.793  12.806  -1.206
  644    HD3  LYS  85           HD1      LYS  85 -11.819  13.093   0.199
  645    HE2  LYS  85           HE2      LYS  85  -9.980  12.640   1.689
  646    HE3  LYS  85           HE1      LYS  85  -8.942  12.180   0.339
  647    HZ1  LYS  85           HZ1      LYS  85  -9.160  14.474  -0.491
  648    HZ2  LYS  85           HZ2      LYS  85  -8.432  14.401   1.031
  649    HZ3  LYS  85           HZ3      LYS  85 -10.046  14.885   0.892
  650    H    GLY  86           HN       GLY  86 -10.225   6.965   1.449
  651    HA2  GLY  86           HA2      GLY  86 -11.543   6.460  -1.118
  652    HA3  GLY  86           HA1      GLY  86 -10.065   5.697  -0.557
  653    HA   PRO  87           HA       PRO  87 -13.857   3.196   0.907
  654    HB2  PRO  87           HB2      PRO  87 -15.384   2.507  -1.176
  655    HB3  PRO  87           HB1      PRO  87 -15.641   4.050  -0.342
  656    HG2  PRO  87           HG2      PRO  87 -14.127   3.494  -2.875
  657    HG3  PRO  87           HG1      PRO  87 -15.335   4.764  -2.558
  658    HD2  PRO  87           HD2      PRO  87 -12.649   5.210  -2.455
  659    HD3  PRO  87           HD1      PRO  87 -13.811   6.097  -1.443
  660    H    TYR  88           HN       TYR  88 -12.427   2.885  -2.340
  661    HA   TYR  88           HA       TYR  88 -11.539   0.197  -1.573
  662    HB2  TYR  88           HB2      TYR  88 -11.953   0.997  -4.443
  663    HB3  TYR  88           HB1      TYR  88 -11.865  -0.625  -3.746
  664    HD1  TYR  88           HD1      TYR  88 -13.798  -1.431  -2.331
  665    HD2  TYR  88           HD2      TYR  88 -14.028   2.073  -4.730
  666    HE1  TYR  88           HE1      TYR  88 -16.248  -1.531  -2.242
  667    HE2  TYR  88           HE2      TYR  88 -16.483   1.983  -4.639
  668    HH   TYR  88           HH       TYR  88 -18.161  -0.174  -2.502
  669    H    ILE  89           HN       ILE  89  -9.496   0.669  -0.929
  670    HA   ILE  89           HA       ILE  89  -7.894   2.453  -2.616
  671    HB   ILE  89           HB       ILE  89  -7.347   1.558   0.217
  672   HG12  ILE  89          HG12      ILE  89  -8.387   4.192  -0.849
  673   HG13  ILE  89          HG11      ILE  89  -9.348   2.994   0.016
  674   HG21  ILE  89          HG21      ILE  89  -5.313   2.098  -1.012
  675   HG22  ILE  89          HG22      ILE  89  -5.651   3.336   0.197
  676   HG23  ILE  89          HG23      ILE  89  -6.005   3.644  -1.503
  677   HD11  ILE  89          HD11      ILE  89  -7.989   3.327   2.005
  678   HD12  ILE  89          HD12      ILE  89  -8.706   4.842   1.459
  679   HD13  ILE  89          HD13      ILE  89  -7.003   4.508   1.143
  680    H    GLU  90           HN       GLU  90  -6.347   1.677  -3.807
  681    HA   GLU  90           HA       GLU  90  -5.544  -1.127  -3.423
  682    HB2  GLU  90           HB2      GLU  90  -5.536   0.549  -5.927
  683    HB3  GLU  90           HB1      GLU  90  -5.061  -1.143  -5.817
  684    HG2  GLU  90           HG2      GLU  90  -7.323  -1.766  -5.201
  685    HG3  GLU  90           HG1      GLU  90  -7.815  -0.070  -5.227
  686    H    ILE  91           HN       ILE  91  -3.720  -0.885  -2.191
  687    HA   ILE  91           HA       ILE  91  -1.578   0.752  -3.309
  688    HB   ILE  91           HB       ILE  91  -1.682  -0.885  -0.761
  689   HG12  ILE  91          HG12      ILE  91  -2.104   2.015  -1.398
  690   HG13  ILE  91          HG11      ILE  91  -3.060   0.950  -0.372
  691   HG21  ILE  91          HG21      ILE  91   0.419   0.250  -0.157
  692   HG22  ILE  91          HG22      ILE  91   0.488   0.943  -1.776
  693   HG23  ILE  91          HG23      ILE  91   0.593  -0.804  -1.559
  694   HD11  ILE  91          HD11      ILE  91  -1.318   1.015   1.327
  695   HD12  ILE  91          HD12      ILE  91  -1.877   2.637   0.924
  696   HD13  ILE  91          HD13      ILE  91  -0.337   2.053   0.292
  697    H    LYS  92           HN       LYS  92  -0.760  -0.234  -5.080
  698    HA   LYS  92           HA       LYS  92   0.302  -2.915  -4.899
  699    HB2  LYS  92           HB2      LYS  92  -1.072  -3.817  -6.740
  700    HB3  LYS  92           HB1      LYS  92  -2.060  -3.398  -5.343
  701    HG2  LYS  92           HG2      LYS  92  -3.371  -2.393  -6.858
  702    HG3  LYS  92           HG1      LYS  92  -2.171  -1.096  -6.770
  703    HD2  LYS  92           HD2      LYS  92  -1.022  -1.949  -8.695
  704    HD3  LYS  92           HD1      LYS  92  -2.056  -3.379  -8.738
  705    HE2  LYS  92           HE2      LYS  92  -4.001  -1.919  -9.159
  706    HE3  LYS  92           HE1      LYS  92  -2.920  -0.524  -9.192
  707    HZ1  LYS  92           HZ1      LYS  92  -2.760  -2.842 -11.041
  708    HZ2  LYS  92           HZ2      LYS  92  -1.799  -1.455 -11.098
  709    HZ3  LYS  92           HZ3      LYS  92  -3.455  -1.347 -11.416
  710    H    GLN  93           HN       GLN  93   1.663  -3.417  -6.684
  711    HA   GLN  93           HA       GLN  93   2.906  -1.096  -7.764
  712    HB2  GLN  93           HB2      GLN  93   4.434  -2.708  -7.172
  713    HB3  GLN  93           HB1      GLN  93   3.413  -4.030  -7.722
  714    HG2  GLN  93           HG2      GLN  93   3.987  -3.678  -9.951
  715    HG3  GLN  93           HG1      GLN  93   4.743  -2.118  -9.604
  716   HE21  GLN  93          HE21      GLN  93   6.727  -2.071  -8.580
  717   HE22  GLN  93          HE22      GLN  93   7.765  -3.449  -8.488
  718    H    ILE  94           HN       ILE  94   3.112  -0.512  -9.937
  719    HA   ILE  94           HA       ILE  94   0.709  -0.899 -11.425
  720    HB   ILE  94           HB       ILE  94   2.716   0.256 -13.087
  721   HG12  ILE  94          HG12      ILE  94   3.789   0.687 -10.782
  722   HG13  ILE  94          HG11      ILE  94   3.561   2.071 -11.843
  723   HG21  ILE  94          HG21      ILE  94   0.318   0.652 -13.226
  724   HG22  ILE  94          HG22      ILE  94   1.208   2.164 -13.048
  725   HG23  ILE  94          HG23      ILE  94   0.365   1.471 -11.664
  726   HD11  ILE  94          HD11      ILE  94   2.972   2.586  -9.541
  727   HD12  ILE  94          HD12      ILE  94   1.759   1.306  -9.560
  728   HD13  ILE  94          HD13      ILE  94   1.574   2.713 -10.607
  Start of MODEL   20
    1    H    ASP   1           HT1      ASP   1 -14.141 -11.361 -12.818
    2    HA   ASP   1           HA       ASP   1 -12.956 -10.206 -11.106
    3    HB2  ASP   1           HB2      ASP   1 -12.014  -8.398 -12.436
    4    HB3  ASP   1           HB1      ASP   1 -13.618  -7.744 -12.739
    5    H    ASN   2           HN       ASN   2 -14.062  -9.242  -9.300
    6    HA   ASN   2           HA       ASN   2 -16.965  -9.039  -9.612
    7    HB2  ASN   2           HB2      ASN   2 -17.397 -10.617  -7.803
    8    HB3  ASN   2           HB1      ASN   2 -16.475 -11.413  -9.073
    9   HD21  ASN   2          HD21      ASN   2 -14.343 -12.002  -8.686
   10   HD22  ASN   2          HD22      ASN   2 -13.674 -12.048  -7.092
   11    H    GLN   3           HN       GLN   3 -14.053  -8.207  -8.067
   12    HA   GLN   3           HA       GLN   3 -15.198  -6.949  -5.762
   13    HB2  GLN   3           HB2      GLN   3 -12.492  -6.860  -7.059
   14    HB3  GLN   3           HB1      GLN   3 -12.897  -5.824  -5.702
   15    HG2  GLN   3           HG2      GLN   3 -13.254  -7.715  -4.287
   16    HG3  GLN   3           HG1      GLN   3 -13.058  -8.825  -5.646
   17   HE21  GLN   3          HE21      GLN   3 -11.115  -5.980  -5.361
   18   HE22  GLN   3          HE22      GLN   3  -9.628  -6.786  -4.977
   19    H    LYS   4           HN       LYS   4 -15.132  -6.261  -8.986
   20    HA   LYS   4           HA       LYS   4 -14.751  -3.521  -9.173
   21    HB2  LYS   4           HB2      LYS   4 -15.143  -5.361 -10.974
   22    HB3  LYS   4           HB1      LYS   4 -16.846  -4.972 -10.761
   23    HG2  LYS   4           HG2      LYS   4 -16.416  -2.653 -11.364
   24    HG3  LYS   4           HG1      LYS   4 -14.697  -3.008 -11.543
   25    HD2  LYS   4           HD2      LYS   4 -16.964  -4.124 -13.191
   26    HD3  LYS   4           HD1      LYS   4 -15.741  -2.969 -13.718
   27    HE2  LYS   4           HE2      LYS   4 -15.341  -5.863 -12.984
   28    HE3  LYS   4           HE1      LYS   4 -15.150  -5.123 -14.570
   29    HZ1  LYS   4           HZ1      LYS   4 -13.001  -5.389 -13.717
   30    HZ2  LYS   4           HZ2      LYS   4 -13.422  -4.809 -12.189
   31    HZ3  LYS   4           HZ3      LYS   4 -13.339  -3.744 -13.505
   32    H    ALA   5           HN       ALA   5 -17.622  -5.388  -8.322
   33    HA   ALA   5           HA       ALA   5 -19.171  -2.969  -7.867
   34    HB1  ALA   5           HB1      ALA   5 -20.258  -4.894  -8.906
   35    HB2  ALA   5           HB2      ALA   5 -21.012  -4.490  -7.364
   36    HB3  ALA   5           HB3      ALA   5 -19.913  -5.865  -7.476
   37    H    LEU   6           HN       LEU   6 -17.000  -4.858  -6.151
   38    HA   LEU   6           HA       LEU   6 -18.313  -4.523  -3.572
   39    HB2  LEU   6           HB2      LEU   6 -15.659  -5.804  -4.236
   40    HB3  LEU   6           HB1      LEU   6 -16.452  -5.836  -2.670
   41    HG   LEU   6           HG       LEU   6 -17.457  -7.154  -5.195
   42   HD11  LEU   6          HD11      LEU   6 -17.012  -9.235  -4.010
   43   HD12  LEU   6          HD12      LEU   6 -16.368  -8.330  -2.642
   44   HD13  LEU   6          HD13      LEU   6 -15.537  -8.287  -4.196
   45   HD21  LEU   6          HD21      LEU   6 -19.312  -6.364  -3.841
   46   HD22  LEU   6          HD22      LEU   6 -18.616  -7.126  -2.412
   47   HD23  LEU   6          HD23      LEU   6 -19.190  -8.120  -3.750
   48    H    GLU   7           HN       GLU   7 -15.750  -4.332  -2.132
   49    HA   GLU   7           HA       GLU   7 -15.522  -1.439  -2.311
   50    HB2  GLU   7           HB2      GLU   7 -14.648  -3.441  -0.239
   51    HB3  GLU   7           HB1      GLU   7 -14.174  -1.752  -0.169
   52    HG2  GLU   7           HG2      GLU   7 -16.033  -2.020   1.260
   53    HG3  GLU   7           HG1      GLU   7 -16.598  -1.154  -0.164
   54    H    GLU   8           HN       GLU   8 -13.812  -4.153  -3.352
   55    HA   GLU   8           HA       GLU   8 -11.879  -4.430  -4.510
   56    HB2  GLU   8           HB2      GLU   8 -11.860  -1.434  -4.327
   57    HB3  GLU   8           HB1      GLU   8 -10.478  -2.300  -4.982
   58    HG2  GLU   8           HG2      GLU   8 -13.246  -2.753  -6.034
   59    HG3  GLU   8           HG1      GLU   8 -12.244  -1.421  -6.609
   60    H    GLN   9           HN       GLN   9 -12.101  -3.403  -1.420
   61    HA   GLN   9           HA       GLN   9  -9.277  -3.321  -0.783
   62    HB2  GLN   9           HB2      GLN   9 -11.802  -3.035   0.837
   63    HB3  GLN   9           HB1      GLN   9 -10.207  -3.079   1.582
   64    HG2  GLN   9           HG2      GLN   9  -9.674  -1.009   0.894
   65    HG3  GLN   9           HG1      GLN   9 -10.531  -1.177  -0.641
   66   HE21  GLN   9          HE21      GLN   9 -12.724  -0.733  -0.739
   67   HE22  GLN   9          HE22      GLN   9 -13.516   0.201   0.491
   68    H    MET  10           HN       MET  10 -10.835  -5.783  -1.741
   69    HA   MET  10           HA       MET  10 -10.619  -7.611   0.481
   70    HB2  MET  10           HB2      MET  10 -11.398  -7.977  -2.411
   71    HB3  MET  10           HB1      MET  10 -11.284  -9.314  -1.278
   72    HG2  MET  10           HG2      MET  10 -13.556  -8.704  -1.399
   73    HG3  MET  10           HG1      MET  10 -12.951  -8.143   0.156
   74    HE1  MET  10           HE1      MET  10 -15.672  -7.133  -0.780
   75    HE2  MET  10           HE2      MET  10 -15.544  -5.392  -0.535
   76    HE3  MET  10           HE3      MET  10 -14.859  -6.501   0.650
   77    H    ASN  11           HN       ASN  11  -9.756  -9.755  -1.584
   78    HA   ASN  11           HA       ASN  11  -7.197 -10.115  -0.590
   79    HB2  ASN  11           HB2      ASN  11  -8.630 -11.270  -2.944
   80    HB3  ASN  11           HB1      ASN  11  -6.924 -11.627  -2.706
   81   HD21  ASN  11          HD21      ASN  11 -10.142 -12.180  -1.610
   82   HD22  ASN  11          HD22      ASN  11  -9.754 -13.375  -0.420
   83    H    SER  12           HN       SER  12  -8.114  -8.019  -3.163
   84    HA   SER  12           HA       SER  12  -5.818  -7.951  -4.702
   85    HB2  SER  12           HB2      SER  12  -7.629  -5.662  -3.918
   86    HB3  SER  12           HB1      SER  12  -6.433  -5.605  -5.220
   87    HG   SER  12           HG       SER  12  -8.024  -6.349  -6.375
   88    H    ILE  13           HN       ILE  13  -6.379  -6.536  -1.512
   89    HA   ILE  13           HA       ILE  13  -3.761  -5.265  -1.593
   90    HB   ILE  13           HB       ILE  13  -4.242  -4.459   0.671
   91   HG12  ILE  13          HG12      ILE  13  -6.904  -4.829   1.139
   92   HG13  ILE  13          HG11      ILE  13  -6.462  -6.389   0.462
   93   HG21  ILE  13          HG21      ILE  13  -6.467  -3.963  -1.294
   94   HG22  ILE  13          HG22      ILE  13  -4.919  -3.121  -1.226
   95   HG23  ILE  13          HG23      ILE  13  -6.075  -2.947   0.096
   96   HD11  ILE  13          HD11      ILE  13  -5.168  -5.070   2.837
   97   HD12  ILE  13          HD12      ILE  13  -4.736  -6.642   2.162
   98   HD13  ILE  13          HD13      ILE  13  -6.326  -6.399   2.886
   99    H    ASN  14           HN       ASN  14  -5.243  -8.156  -0.378
  100    HA   ASN  14           HA       ASN  14  -3.254  -8.736   1.593
  101    HB2  ASN  14           HB2      ASN  14  -5.193 -10.576   0.224
  102    HB3  ASN  14           HB1      ASN  14  -4.241 -10.980   1.641
  103   HD21  ASN  14          HD21      ASN  14  -4.747 -10.014   3.621
  104   HD22  ASN  14          HD22      ASN  14  -6.295  -9.299   3.909
  105    H    SER  15           HN       SER  15  -3.884  -9.863  -1.714
  106    HA   SER  15           HA       SER  15  -1.687 -11.575  -1.962
  107    HB2  SER  15           HB2      SER  15  -2.829  -9.798  -4.134
  108    HB3  SER  15           HB1      SER  15  -1.962 -11.320  -4.356
  109    HG   SER  15           HG       SER  15  -3.849 -12.031  -2.822
  110    H    VAL  16           HN       VAL  16  -1.965  -8.096  -2.197
  111    HA   VAL  16           HA       VAL  16   0.740  -7.652  -2.981
  112    HB   VAL  16           HB       VAL  16  -1.220  -5.757  -1.675
  113   HG11  VAL  16          HG11      VAL  16   1.116  -5.056  -1.397
  114   HG12  VAL  16          HG12      VAL  16   0.234  -3.978  -2.478
  115   HG13  VAL  16          HG13      VAL  16   1.353  -5.169  -3.140
  116   HG21  VAL  16          HG21      VAL  16  -1.555  -4.892  -3.931
  117   HG22  VAL  16          HG22      VAL  16  -1.990  -6.598  -3.834
  118   HG23  VAL  16          HG23      VAL  16  -0.460  -6.118  -4.569
  119    H    ASN  17           HN       ASN  17  -0.985  -7.946   0.103
  120    HA   ASN  17           HA       ASN  17   1.052  -6.935   1.778
  121    HB2  ASN  17           HB2      ASN  17  -1.270  -8.741   2.163
  122    HB3  ASN  17           HB1      ASN  17   0.006  -8.851   3.368
  123   HD21  ASN  17          HD21      ASN  17  -2.521  -6.906   2.042
  124   HD22  ASN  17          HD22      ASN  17  -2.501  -5.689   3.276
  125    H    ASP  18           HN       ASP  18   0.513 -10.135   0.434
  126    HA   ASP  18           HA       ASP  18   2.762 -11.327   1.731
  127    HB2  ASP  18           HB2      ASP  18   0.927 -12.204  -0.486
  128    HB3  ASP  18           HB1      ASP  18   2.339 -13.159  -0.035
  129    H    LYS  19           HN       LYS  19   2.415  -9.316  -0.972
  130    HA   LYS  19           HA       LYS  19   4.834 -10.254  -2.297
  131    HB2  LYS  19           HB2      LYS  19   2.955  -9.477  -3.667
  132    HB3  LYS  19           HB1      LYS  19   3.009  -7.908  -2.878
  133    HG2  LYS  19           HG2      LYS  19   5.272  -7.558  -3.799
  134    HG3  LYS  19           HG1      LYS  19   5.133  -9.099  -4.653
  135    HD2  LYS  19           HD2      LYS  19   3.295  -6.730  -5.012
  136    HD3  LYS  19           HD1      LYS  19   4.615  -7.170  -6.097
  137    HE2  LYS  19           HE2      LYS  19   2.213  -8.888  -5.470
  138    HE3  LYS  19           HE1      LYS  19   2.430  -7.927  -6.929
  139    HZ1  LYS  19           HZ1      LYS  19   4.153 -10.189  -6.075
  140    HZ2  LYS  19           HZ2      LYS  19   4.375  -9.257  -7.468
  141    HZ3  LYS  19           HZ3      LYS  19   3.002 -10.230  -7.313
  142    H    LEU  20           HN       LEU  20   3.709  -7.753  -0.192
  143    HA   LEU  20           HA       LEU  20   6.109  -6.155  -0.343
  144    HB2  LEU  20           HB2      LEU  20   3.774  -6.040   1.562
  145    HB3  LEU  20           HB1      LEU  20   4.997  -4.796   1.359
  146    HG   LEU  20           HG       LEU  20   3.000  -5.671  -0.732
  147   HD11  LEU  20          HD11      LEU  20   2.140  -4.366   1.245
  148   HD12  LEU  20          HD12      LEU  20   1.866  -3.651  -0.339
  149   HD13  LEU  20          HD13      LEU  20   3.152  -3.038   0.686
  150   HD21  LEU  20          HD21      LEU  20   5.080  -3.489  -0.790
  151   HD22  LEU  20          HD22      LEU  20   3.840  -3.761  -2.014
  152   HD23  LEU  20          HD23      LEU  20   5.091  -4.972  -1.745
  153    H    ASN  21           HN       ASN  21   4.595  -8.386   1.933
  154    HA   ASN  21           HA       ASN  21   6.773  -8.250   3.801
  155    HB2  ASN  21           HB2      ASN  21   4.276  -9.885   3.531
  156    HB3  ASN  21           HB1      ASN  21   5.553 -10.456   4.605
  157   HD21  ASN  21          HD21      ASN  21   3.188  -7.909   4.040
  158   HD22  ASN  21          HD22      ASN  21   3.270  -7.245   5.636
  159    H    LYS  22           HN       LYS  22   8.279  -8.539   1.922
  160    HA   LYS  22           HA       LYS  22   8.554 -11.316   1.019
  161    HB2  LYS  22           HB2      LYS  22  10.181 -10.099  -0.662
  162    HB3  LYS  22           HB1      LYS  22   8.438 -10.078  -0.911
  163    HG2  LYS  22           HG2      LYS  22   9.093  -7.883  -1.300
  164    HG3  LYS  22           HG1      LYS  22   8.465  -7.850   0.345
  165    HD2  LYS  22           HD2      LYS  22  11.045  -8.342   0.874
  166    HD3  LYS  22           HD1      LYS  22  11.226  -7.473  -0.650
  167    HE2  LYS  22           HE2      LYS  22   9.937  -6.518   1.894
  168    HE3  LYS  22           HE1      LYS  22  11.340  -5.853   1.085
  169    HZ1  LYS  22           HZ1      LYS  22   9.926  -5.105  -0.719
  170    HZ2  LYS  22           HZ2      LYS  22   9.368  -4.486   0.754
  171    HZ3  LYS  22           HZ3      LYS  22   8.568  -5.782   0.023
  172    H    GLY  23           HN       GLY  23   9.733  -9.594   3.456
  173    HA2  GLY  23           HA2      GLY  23  11.425 -11.039   4.662
  174    HA3  GLY  23           HA1      GLY  23  12.422 -10.784   3.228
  175    H    LYS  24           HN       LYS  24  12.522  -8.381   2.616
  176    HA   LYS  24           HA       LYS  24  13.600  -6.925   4.843
  177    HB2  LYS  24           HB2      LYS  24  13.198  -6.176   1.947
  178    HB3  LYS  24           HB1      LYS  24  14.060  -5.207   3.122
  179    HG2  LYS  24           HG2      LYS  24  14.888  -8.022   2.564
  180    HG3  LYS  24           HG1      LYS  24  15.400  -6.702   1.515
  181    HD2  LYS  24           HD2      LYS  24  15.828  -6.699   4.487
  182    HD3  LYS  24           HD1      LYS  24  17.008  -7.346   3.354
  183    HE2  LYS  24           HE2      LYS  24  17.107  -5.153   2.244
  184    HE3  LYS  24           HE1      LYS  24  15.960  -4.517   3.421
  185    HZ1  LYS  24           HZ1      LYS  24  18.290  -3.995   3.955
  186    HZ2  LYS  24           HZ2      LYS  24  18.615  -5.647   4.107
  187    HZ3  LYS  24           HZ3      LYS  24  17.534  -4.900   5.169
  188    H    GLY  25           HN       GLY  25  12.822  -4.279   3.947
  189    HA2  GLY  25           HA2      GLY  25  10.773  -3.742   5.704
  190    HA3  GLY  25           HA1      GLY  25  11.194  -2.714   4.361
  191    H    LYS  26           HN       LYS  26   8.603  -3.252   5.545
  192    HA   LYS  26           HA       LYS  26   7.223  -4.421   3.266
  193    HB2  LYS  26           HB2      LYS  26   6.252  -6.197   4.696
  194    HB3  LYS  26           HB1      LYS  26   8.009  -6.306   4.515
  195    HG2  LYS  26           HG2      LYS  26   8.136  -5.019   6.716
  196    HG3  LYS  26           HG1      LYS  26   6.439  -5.451   6.936
  197    HD2  LYS  26           HD2      LYS  26   7.404  -7.252   7.960
  198    HD3  LYS  26           HD1      LYS  26   7.413  -7.861   6.302
  199    HE2  LYS  26           HE2      LYS  26   9.714  -6.894   6.053
  200    HE3  LYS  26           HE1      LYS  26   9.678  -6.538   7.780
  201    HZ1  LYS  26           HZ1      LYS  26  10.813  -8.624   7.327
  202    HZ2  LYS  26           HZ2      LYS  26   9.422  -9.247   6.599
  203    HZ3  LYS  26           HZ3      LYS  26   9.418  -8.883   8.246
  204    H    LEU  27           HN       LEU  27   5.216  -3.616   3.009
  205    HA   LEU  27           HA       LEU  27   4.123  -1.898   5.096
  206    HB2  LEU  27           HB2      LEU  27   2.934  -2.490   2.381
  207    HB3  LEU  27           HB1      LEU  27   2.440  -1.230   3.486
  208    HG   LEU  27           HG       LEU  27   4.836  -0.297   3.116
  209   HD11  LEU  27          HD11      LEU  27   4.523  -1.834   0.548
  210   HD12  LEU  27          HD12      LEU  27   5.590  -2.331   1.857
  211   HD13  LEU  27          HD13      LEU  27   5.864  -0.799   1.032
  212   HD21  LEU  27          HD21      LEU  27   2.724  -0.183   0.969
  213   HD22  LEU  27          HD22      LEU  27   4.035   0.977   1.188
  214   HD23  LEU  27          HD23      LEU  27   2.788   0.813   2.423
  215    H    SER  28           HN       SER  28   2.673  -2.657   6.510
  216    HA   SER  28           HA       SER  28   1.091  -5.027   5.839
  217    HB2  SER  28           HB2      SER  28   1.169  -3.387   8.400
  218    HB3  SER  28           HB1      SER  28   0.383  -4.954   8.186
  219    HG   SER  28           HG       SER  28   2.226  -5.800   8.680
  220    H    LEU  29           HN       LEU  29  -0.577  -4.473   4.514
  221    HA   LEU  29           HA       LEU  29  -1.613  -1.766   4.507
  222    HB2  LEU  29           HB2      LEU  29  -2.547  -4.057   2.804
  223    HB3  LEU  29           HB1      LEU  29  -2.674  -2.338   2.468
  224    HG   LEU  29           HG       LEU  29  -0.045  -3.806   2.599
  225   HD11  LEU  29          HD11      LEU  29  -0.127  -3.666   0.112
  226   HD12  LEU  29          HD12      LEU  29  -1.824  -3.212   0.247
  227   HD13  LEU  29          HD13      LEU  29  -1.287  -4.790   0.817
  228   HD21  LEU  29          HD21      LEU  29   0.796  -1.849   1.419
  229   HD22  LEU  29          HD22      LEU  29   0.072  -1.389   2.959
  230   HD23  LEU  29          HD23      LEU  29  -0.811  -1.124   1.457
  231    H    SER  30           HN       SER  30  -3.333  -1.076   5.581
  232    HA   SER  30           HA       SER  30  -5.651  -2.800   5.507
  233    HB2  SER  30           HB2      SER  30  -4.711  -3.237   7.729
  234    HB3  SER  30           HB1      SER  30  -4.679  -1.505   8.068
  235    HG   SER  30           HG       SER  30  -6.827  -1.481   8.297
  236    H    MET  31           HN       MET  31  -7.411  -1.711   4.904
  237    HA   MET  31           HA       MET  31  -7.360   1.226   5.086
  238    HB2  MET  31           HB2      MET  31  -8.986  -0.431   3.150
  239    HB3  MET  31           HB1      MET  31  -8.717   1.307   3.111
  240    HG2  MET  31           HG2      MET  31  -6.861   1.079   1.931
  241    HG3  MET  31           HG1      MET  31  -6.222  -0.125   3.050
  242    HE1  MET  31           HE1      MET  31  -6.717  -2.820   2.777
  243    HE2  MET  31           HE2      MET  31  -7.976  -3.381   1.675
  244    HE3  MET  31           HE3      MET  31  -8.386  -2.304   3.005
  245    H    ASN  32           HN       ASN  32  -8.857   2.123   6.346
  246    HA   ASN  32           HA       ASN  32 -11.140   0.469   7.182
  247    HB2  ASN  32           HB2      ASN  32  -9.340   2.102   8.991
  248    HB3  ASN  32           HB1      ASN  32 -10.842   1.330   9.497
  249   HD21  ASN  32          HD21      ASN  32 -10.924  -0.900   9.700
  250   HD22  ASN  32          HD22      ASN  32  -9.487  -1.873   9.773
  251    H    GLY  33           HN       GLY  33 -12.513   1.642   5.852
  252    HA2  GLY  33           HA2      GLY  33 -14.081   3.255   5.447
  253    HA3  GLY  33           HA1      GLY  33 -13.770   3.839   7.073
  254    H    ASN  34           HN       ASN  34 -12.504   5.673   7.356
  255    HA   ASN  34           HA       ASN  34 -11.960   7.187   4.907
  256    HB2  ASN  34           HB2      ASN  34 -11.820   9.148   6.363
  257    HB3  ASN  34           HB1      ASN  34 -13.326   8.284   6.646
  258   HD21  ASN  34          HD21      ASN  34 -10.015   8.647   7.881
  259   HD22  ASN  34          HD22      ASN  34 -10.435   8.371   9.548
  260    H    GLN  35           HN       GLN  35 -10.200   5.033   6.265
  261    HA   GLN  35           HA       GLN  35  -7.789   6.667   6.450
  262    HB2  GLN  35           HB2      GLN  35  -8.540   6.406   8.729
  263    HB3  GLN  35           HB1      GLN  35  -8.706   4.665   8.511
  264    HG2  GLN  35           HG2      GLN  35  -6.269   4.522   8.119
  265    HG3  GLN  35           HG1      GLN  35  -6.151   6.250   8.455
  266   HE21  GLN  35          HE21      GLN  35  -6.823   3.117   9.838
  267   HE22  GLN  35          HE22      GLN  35  -6.628   3.596  11.493
  268    H    LEU  36           HN       LEU  36  -5.937   5.713   5.891
  269    HA   LEU  36           HA       LEU  36  -5.913   2.844   5.329
  270    HB2  LEU  36           HB2      LEU  36  -6.046   3.864   3.184
  271    HB3  LEU  36           HB1      LEU  36  -4.898   5.108   3.623
  272    HG   LEU  36           HG       LEU  36  -3.061   3.610   3.458
  273   HD11  LEU  36          HD11      LEU  36  -4.070   1.641   4.501
  274   HD12  LEU  36          HD12      LEU  36  -3.310   1.231   2.964
  275   HD13  LEU  36          HD13      LEU  36  -5.062   1.391   3.066
  276   HD21  LEU  36          HD21      LEU  36  -3.792   4.458   1.343
  277   HD22  LEU  36          HD22      LEU  36  -5.016   3.196   1.209
  278   HD23  LEU  36          HD23      LEU  36  -3.306   2.777   1.129
  279    H    LYS  37           HN       LYS  37  -4.522   1.961   6.724
  280    HA   LYS  37           HA       LYS  37  -2.178   3.582   7.604
  281    HB2  LYS  37           HB2      LYS  37  -2.401   2.523   9.820
  282    HB3  LYS  37           HB1      LYS  37  -3.829   3.468   9.410
  283    HG2  LYS  37           HG2      LYS  37  -5.048   1.434   8.882
  284    HG3  LYS  37           HG1      LYS  37  -3.610   0.468   9.217
  285    HD2  LYS  37           HD2      LYS  37  -3.647   1.431  11.545
  286    HD3  LYS  37           HD1      LYS  37  -5.231   2.104  11.156
  287    HE2  LYS  37           HE2      LYS  37  -5.584   0.039  12.298
  288    HE3  LYS  37           HE1      LYS  37  -5.988  -0.214  10.601
  289    HZ1  LYS  37           HZ1      LYS  37  -4.697  -2.050  11.420
  290    HZ2  LYS  37           HZ2      LYS  37  -3.472  -1.019  11.956
  291    HZ3  LYS  37           HZ3      LYS  37  -3.765  -1.192  10.300
  292    H    ALA  38           HN       ALA  38  -0.640   2.572   6.389
  293    HA   ALA  38           HA       ALA  38  -0.365  -0.349   6.655
  294    HB1  ALA  38           HB1      ALA  38   0.859   1.493   4.599
  295    HB2  ALA  38           HB2      ALA  38  -0.538   0.447   4.344
  296    HB3  ALA  38           HB3      ALA  38   1.046  -0.259   4.665
  297    H    THR  39           HN       THR  39   1.146  -1.005   8.065
  298    HA   THR  39           HA       THR  39   3.128   0.964   8.930
  299    HB   THR  39           HB       THR  39   3.563  -0.634  10.799
  300    HG1  THR  39           HG1      THR  39   2.808  -2.524   9.712
  301   HG21  THR  39          HG21      THR  39   0.697   0.250  10.456
  302   HG22  THR  39          HG22      THR  39   2.016   1.225  11.103
  303   HG23  THR  39          HG23      THR  39   1.455  -0.195  11.985
  304    H    SER  40           HN       SER  40   5.324   0.446   9.060
  305    HA   SER  40           HA       SER  40   6.148  -1.538   7.051
  306    HB2  SER  40           HB2      SER  40   8.120  -0.088   6.716
  307    HB3  SER  40           HB1      SER  40   6.601   0.738   6.366
  308    HG   SER  40           HG       SER  40   6.730   1.642   8.499
  309    H    SER  41           HN       SER  41   7.117  -3.262   7.848
  310    HA   SER  41           HA       SER  41   8.406  -3.049  10.441
  311    HB2  SER  41           HB2      SER  41   6.796  -4.917  10.020
  312    HB3  SER  41           HB1      SER  41   7.921  -5.549   8.823
  313    HG   SER  41           HG       SER  41   8.072  -5.553  11.599
  314    H    ASN  42           HN       ASN  42  10.415  -4.670  10.530
  315    HA   ASN  42           HA       ASN  42  12.648  -4.744  10.175
  316    HB2  ASN  42           HB2      ASN  42  11.644  -4.585   7.357
  317    HB3  ASN  42           HB1      ASN  42  13.371  -4.501   7.672
  318   HD21  ASN  42          HD21      ASN  42  13.898  -6.427   6.774
  319   HD22  ASN  42          HD22      ASN  42  13.384  -7.960   7.405
  320    H    ALA  43           HN       ALA  43  11.307  -2.290  10.788
  321    HA   ALA  43           HA       ALA  43  11.886  -0.182  11.319
  322    HB1  ALA  43           HB1      ALA  43  14.200   0.499  11.204
  323    HB2  ALA  43           HB2      ALA  43  14.568  -0.863  10.147
  324    HB3  ALA  43           HB3      ALA  43  14.064  -1.150  11.812
  325    H    GLY  44           HN       GLY  44  11.269  -1.115   8.328
  326    HA2  GLY  44           HA2      GLY  44  10.205   0.318   6.804
  327    HA3  GLY  44           HA1      GLY  44  11.037   1.675   7.541
  328    H    TYR  45           HN       TYR  45  12.942  -1.077   6.602
  329    HA   TYR  45           HA       TYR  45  14.314   0.440   4.603
  330    HB2  TYR  45           HB2      TYR  45  14.467  -2.431   5.487
  331    HB3  TYR  45           HB1      TYR  45  15.328  -1.883   4.051
  332    HD1  TYR  45           HD1      TYR  45  15.142  -1.653   7.720
  333    HD2  TYR  45           HD2      TYR  45  17.233  -0.386   4.231
  334    HE1  TYR  45           HE1      TYR  45  16.988  -0.843   9.121
  335    HE2  TYR  45           HE2      TYR  45  19.083   0.424   5.631
  336    HH   TYR  45           HH       TYR  45  19.395   1.203   8.000
  337    H    GLY  46           HN       GLY  46  14.674  -1.002   2.383
  338    HA2  GLY  46           HA2      GLY  46  11.989  -0.846   1.187
  339    HA3  GLY  46           HA1      GLY  46  13.514  -0.694   0.335
  340    H    ILE  47           HN       ILE  47  12.567  -2.171  -1.179
  341    HA   ILE  47           HA       ILE  47  11.800  -4.787  -0.878
  342    HB   ILE  47           HB       ILE  47  13.711  -3.768  -2.959
  343   HG12  ILE  47          HG12      ILE  47  10.704  -3.947  -3.080
  344   HG13  ILE  47          HG11      ILE  47  11.613  -2.459  -2.808
  345   HG21  ILE  47          HG21      ILE  47  13.653  -6.181  -2.926
  346   HG22  ILE  47          HG22      ILE  47  12.803  -5.597  -4.357
  347   HG23  ILE  47          HG23      ILE  47  11.891  -6.170  -2.961
  348   HD11  ILE  47          HD11      ILE  47  10.874  -2.699  -5.120
  349   HD12  ILE  47          HD12      ILE  47  11.807  -4.189  -5.253
  350   HD13  ILE  47          HD13      ILE  47  12.626  -2.654  -4.977
  351    H    SER  48           HN       SER  48  15.048  -3.761  -1.705
  352    HA   SER  48           HA       SER  48  16.525  -5.092   0.128
  353    HB2  SER  48           HB2      SER  48  15.470  -7.174  -0.737
  354    HB3  SER  48           HB1      SER  48  16.148  -6.824  -2.328
  355    HG   SER  48           HG       SER  48  17.851  -7.840  -1.653
  356    H    TYR  49           HN       TYR  49  16.781  -5.354  -3.415
  357    HA   TYR  49           HA       TYR  49  18.665  -3.123  -3.424
  358    HB2  TYR  49           HB2      TYR  49  19.269  -5.871  -4.511
  359    HB3  TYR  49           HB1      TYR  49  20.161  -4.440  -4.997
  360    HD1  TYR  49           HD1      TYR  49  20.273  -7.173  -2.830
  361    HD2  TYR  49           HD2      TYR  49  20.947  -2.957  -2.851
  362    HE1  TYR  49           HE1      TYR  49  21.738  -7.393  -0.882
  363    HE2  TYR  49           HE2      TYR  49  22.416  -3.187  -0.904
  364    HH   TYR  49           HH       TYR  49  23.578  -6.189   0.186
  365    H    GLU  50           HN       GLU  50  16.475  -5.223  -5.219
  366    HA   GLU  50           HA       GLU  50  16.759  -3.651  -7.639
  367    HB2  GLU  50           HB2      GLU  50  15.091  -5.180  -8.578
  368    HB3  GLU  50           HB1      GLU  50  16.392  -6.075  -7.796
  369    HG2  GLU  50           HG2      GLU  50  14.971  -6.403  -5.830
  370    HG3  GLU  50           HG1      GLU  50  13.666  -5.531  -6.636
  371    H    ASP  51           HN       ASP  51  14.443  -3.195  -8.702
  372    HA   ASP  51           HA       ASP  51  13.035  -1.506  -6.740
  373    HB2  ASP  51           HB2      ASP  51  14.460  -0.088  -8.090
  374    HB3  ASP  51           HB1      ASP  51  13.840  -0.821  -9.569
  375    H    LYS  52           HN       LYS  52  10.878  -1.343  -6.853
  376    HA   LYS  52           HA       LYS  52   9.522  -2.626  -9.120
  377    HB2  LYS  52           HB2      LYS  52   8.591  -2.601  -6.240
  378    HB3  LYS  52           HB1      LYS  52   7.655  -3.207  -7.603
  379    HG2  LYS  52           HG2      LYS  52  10.127  -4.341  -6.387
  380    HG3  LYS  52           HG1      LYS  52   8.550  -5.100  -6.564
  381    HD2  LYS  52           HD2      LYS  52   9.028  -4.760  -9.117
  382    HD3  LYS  52           HD1      LYS  52  10.711  -4.657  -8.576
  383    HE2  LYS  52           HE2      LYS  52   8.794  -6.943  -8.097
  384    HE3  LYS  52           HE1      LYS  52  10.150  -6.937  -9.221
  385    HZ1  LYS  52           HZ1      LYS  52  10.474  -6.547  -6.304
  386    HZ2  LYS  52           HZ2      LYS  52  11.681  -6.882  -7.451
  387    HZ3  LYS  52           HZ3      LYS  52  10.539  -8.066  -7.046
  388    H    ASN  53           HN       ASN  53   7.539  -1.725  -9.697
  389    HA   ASN  53           HA       ASN  53   7.395   1.137  -9.086
  390    HB2  ASN  53           HB2      ASN  53   5.718   1.004 -11.133
  391    HB3  ASN  53           HB1      ASN  53   7.464   1.083 -11.379
  392   HD21  ASN  53          HD21      ASN  53   4.634  -0.925 -11.491
  393   HD22  ASN  53          HD22      ASN  53   5.356  -2.224 -12.389
  394    H    TRP  54           HN       TRP  54   6.032   1.738  -7.626
  395    HA   TRP  54           HA       TRP  54   3.792  -0.009  -6.945
  396    HB2  TRP  54           HB2      TRP  54   5.761   1.377  -5.462
  397    HB3  TRP  54           HB1      TRP  54   4.195   2.115  -5.094
  398    HD1  TRP  54           HD1      TRP  54   6.174  -1.069  -4.528
  399    HE1  TRP  54           HE1      TRP  54   4.792  -2.590  -2.952
  400    HE3  TRP  54           HE3      TRP  54   1.880   1.576  -4.532
  401    HZ2  TRP  54           HZ2      TRP  54   2.117  -2.616  -1.885
  402    HZ3  TRP  54           HZ3      TRP  54  -0.029   0.782  -3.268
  403    HH2  TRP  54           HH2      TRP  54   0.088  -1.271  -1.956
  404    H    GLY  55           HN       GLY  55   1.700   1.003  -6.216
  405    HA2  GLY  55           HA2      GLY  55   1.304   3.768  -7.001
  406    HA3  GLY  55           HA1      GLY  55   0.495   2.574  -7.986
  407    H    ILE  56           HN       ILE  56  -0.506   4.721  -6.207
  408    HA   ILE  56           HA       ILE  56  -2.437   2.982  -4.790
  409    HB   ILE  56           HB       ILE  56  -1.751   5.858  -4.143
  410   HG12  ILE  56          HG12      ILE  56  -1.135   3.265  -2.730
  411   HG13  ILE  56          HG11      ILE  56   0.027   4.344  -3.497
  412   HG21  ILE  56          HG21      ILE  56  -4.104   5.308  -3.707
  413   HG22  ILE  56          HG22      ILE  56  -3.212   5.569  -2.209
  414   HG23  ILE  56          HG23      ILE  56  -3.597   3.929  -2.731
  415   HD11  ILE  56          HD11      ILE  56  -0.517   6.072  -1.845
  416   HD12  ILE  56          HD12      ILE  56   0.100   4.598  -1.106
  417   HD13  ILE  56          HD13      ILE  56  -1.627   4.949  -1.060
  418    H    PHE  57           HN       PHE  57  -4.565   3.183  -5.311
  419    HA   PHE  57           HA       PHE  57  -5.320   5.332  -7.175
  420    HB2  PHE  57           HB2      PHE  57  -6.118   2.431  -7.518
  421    HB3  PHE  57           HB1      PHE  57  -6.559   3.769  -8.566
  422    HD1  PHE  57           HD1      PHE  57  -5.007   4.652 -10.168
  423    HD2  PHE  57           HD2      PHE  57  -3.874   1.496  -7.551
  424    HE1  PHE  57           HE1      PHE  57  -3.032   4.204 -11.564
  425    HE2  PHE  57           HE2      PHE  57  -1.892   1.050  -8.938
  426    HZ   PHE  57           HZ       PHE  57  -1.472   2.407 -10.949
  427    H    VAL  58           HN       VAL  58  -7.452   6.013  -7.044
  428    HA   VAL  58           HA       VAL  58  -9.295   4.513  -5.358
  429    HB   VAL  58           HB       VAL  58  -8.257   6.283  -3.893
  430   HG11  VAL  58          HG11      VAL  58  -8.941   8.602  -4.176
  431   HG12  VAL  58          HG12      VAL  58  -9.755   8.189  -5.685
  432   HG13  VAL  58          HG13      VAL  58  -8.001   8.049  -5.562
  433   HG21  VAL  58          HG21      VAL  58 -11.217   6.500  -4.412
  434   HG22  VAL  58          HG22      VAL  58 -10.393   7.041  -2.950
  435   HG23  VAL  58          HG23      VAL  58 -10.420   5.326  -3.366
  436    H    ASN  59           HN       ASN  59 -11.239   4.392  -6.264
  437    HA   ASN  59           HA       ASN  59 -12.904   4.592  -7.786
  438    HB2  ASN  59           HB2      ASN  59 -12.146   7.517  -7.635
  439    HB3  ASN  59           HB1      ASN  59 -13.616   6.898  -8.382
  440   HD21  ASN  59          HD21      ASN  59 -13.308   8.714  -6.137
  441   HD22  ASN  59          HD22      ASN  59 -14.130   7.977  -4.807
  442    H    GLY  60           HN       GLY  60 -10.136   4.148  -8.709
  443    HA2  GLY  60           HA2      GLY  60  -9.490   3.448 -10.839
  444    HA3  GLY  60           HA1      GLY  60 -10.760   4.446 -11.530
  445    H    GLU  61           HN       GLU  61  -9.110   6.387  -9.389
  446    HA   GLU  61           HA       GLU  61  -7.349   7.340 -11.559
  447    HB2  GLU  61           HB2      GLU  61  -7.586   9.567 -10.743
  448    HB3  GLU  61           HB1      GLU  61  -9.206   8.884 -10.835
  449    HG2  GLU  61           HG2      GLU  61  -9.084   8.409  -8.408
  450    HG3  GLU  61           HG1      GLU  61  -7.528   9.239  -8.363
  451    H    LYS  62           HN       LYS  62  -5.324   8.302 -10.908
  452    HA   LYS  62           HA       LYS  62  -3.994   6.673  -8.962
  453    HB2  LYS  62           HB2      LYS  62  -3.041   8.943 -10.705
  454    HB3  LYS  62           HB1      LYS  62  -1.986   8.019  -9.637
  455    HG2  LYS  62           HG2      LYS  62  -2.514   5.984 -10.863
  456    HG3  LYS  62           HG1      LYS  62  -3.591   6.895 -11.926
  457    HD2  LYS  62           HD2      LYS  62  -1.446   6.529 -13.004
  458    HD3  LYS  62           HD1      LYS  62  -1.677   8.245 -12.671
  459    HE2  LYS  62           HE2      LYS  62  -0.241   8.097 -10.732
  460    HE3  LYS  62           HE1      LYS  62  -0.080   6.354 -10.948
  461    HZ1  LYS  62           HZ1      LYS  62   1.838   7.563 -11.794
  462    HZ2  LYS  62           HZ2      LYS  62   0.852   8.413 -12.873
  463    HZ3  LYS  62           HZ3      LYS  62   1.039   6.741 -13.038
  464    H    VAL  63           HN       VAL  63  -3.500   7.127  -6.949
  465    HA   VAL  63           HA       VAL  63  -4.092   9.787  -5.879
  466    HB   VAL  63           HB       VAL  63  -3.518   7.240  -4.432
  467   HG11  VAL  63          HG11      VAL  63  -4.500   9.882  -3.392
  468   HG12  VAL  63          HG12      VAL  63  -2.914   9.167  -3.103
  469   HG13  VAL  63          HG13      VAL  63  -4.359   8.401  -2.444
  470   HG21  VAL  63          HG21      VAL  63  -5.605   7.098  -5.650
  471   HG22  VAL  63          HG22      VAL  63  -6.140   8.610  -4.920
  472   HG23  VAL  63          HG23      VAL  63  -5.900   7.181  -3.914
  473    H    TYR  64           HN       TYR  64  -1.595   7.296  -5.878
  474    HA   TYR  64           HA       TYR  64   0.498   9.243  -5.518
  475    HB2  TYR  64           HB2      TYR  64  -0.439   8.870  -3.213
  476    HB3  TYR  64           HB1      TYR  64  -0.001   7.171  -3.366
  477    HD1  TYR  64           HD1      TYR  64   2.111   6.449  -2.692
  478    HD2  TYR  64           HD2      TYR  64   1.458  10.587  -3.420
  479    HE1  TYR  64           HE1      TYR  64   4.344   6.951  -1.801
  480    HE2  TYR  64           HE2      TYR  64   3.685  11.101  -2.535
  481    HH   TYR  64           HH       TYR  64   6.058   8.768  -2.012
  482    H    THR  65           HN       THR  65   2.639   8.209  -5.622
  483    HA   THR  65           HA       THR  65   2.666   5.380  -6.340
  484    HB   THR  65           HB       THR  65   2.459   6.803  -8.457
  485    HG1  THR  65           HG1      THR  65   3.446   4.622  -8.313
  486   HG21  THR  65          HG21      THR  65   5.288   7.543  -7.705
  487   HG22  THR  65          HG22      THR  65   3.915   8.646  -7.810
  488   HG23  THR  65          HG23      THR  65   4.528   7.861  -9.264
  489    H    PHE  66           HN       PHE  66   4.923   4.510  -6.248
  490    HA   PHE  66           HA       PHE  66   7.081   6.161  -5.458
  491    HB2  PHE  66           HB2      PHE  66   7.409   5.430  -3.172
  492    HB3  PHE  66           HB1      PHE  66   5.834   6.196  -3.327
  493    HD1  PHE  66           HD1      PHE  66   7.627   3.104  -2.645
  494    HD2  PHE  66           HD2      PHE  66   3.790   4.875  -3.147
  495    HE1  PHE  66           HE1      PHE  66   6.592   1.145  -1.576
  496    HE2  PHE  66           HE2      PHE  66   2.746   2.917  -2.083
  497    HZ   PHE  66           HZ       PHE  66   4.148   1.055  -1.291
  498    H    ASN  67           HN       ASN  67   8.828   4.602  -4.356
  499    HA   ASN  67           HA       ASN  67   8.912   2.174  -6.015
  500    HB2  ASN  67           HB2      ASN  67  11.132   4.099  -5.293
  501    HB3  ASN  67           HB1      ASN  67  11.404   2.533  -6.061
  502   HD21  ASN  67          HD21      ASN  67  10.872   2.256  -8.207
  503   HD22  ASN  67          HD22      ASN  67  10.454   3.582  -9.245
  504    H    GLU  68           HN       GLU  68   9.087   0.347  -4.906
  505    HA   GLU  68           HA       GLU  68   8.806   0.304  -2.143
  506    HB2  GLU  68           HB2      GLU  68   7.964  -1.391  -3.723
  507    HB3  GLU  68           HB1      GLU  68   9.620  -1.896  -4.028
  508    HG2  GLU  68           HG2      GLU  68   8.575  -3.448  -2.598
  509    HG3  GLU  68           HG1      GLU  68   9.826  -2.601  -1.706
  510    H    LYS  69           HN       LYS  69  11.707   0.346  -4.023
  511    HA   LYS  69           HA       LYS  69  13.272  -0.954  -1.962
  512    HB2  LYS  69           HB2      LYS  69  15.161  -0.650  -3.413
  513    HB3  LYS  69           HB1      LYS  69  13.809  -1.278  -4.343
  514    HG2  LYS  69           HG2      LYS  69  13.338   0.925  -5.211
  515    HG3  LYS  69           HG1      LYS  69  14.632   1.603  -4.226
  516    HD2  LYS  69           HD2      LYS  69  15.112  -0.559  -6.264
  517    HD3  LYS  69           HD1      LYS  69  15.273   1.160  -6.629
  518    HE2  LYS  69           HE2      LYS  69  16.920   1.340  -4.779
  519    HE3  LYS  69           HE1      LYS  69  16.810  -0.404  -4.560
  520    HZ1  LYS  69           HZ1      LYS  69  18.718   0.187  -5.888
  521    HZ2  LYS  69           HZ2      LYS  69  17.737   0.981  -7.012
  522    HZ3  LYS  69           HZ3      LYS  69  17.616  -0.694  -6.820
  523    H    SER  70           HN       SER  70  11.968   2.008  -2.081
  524    HA   SER  70           HA       SER  70  14.252   3.553  -1.338
  525    HB2  SER  70           HB2      SER  70  11.298   4.121  -0.965
  526    HB3  SER  70           HB1      SER  70  12.597   5.293  -0.720
  527    HG   SER  70           HG       SER  70  12.868   4.148  -3.130
  528    H    THR  71           HN       THR  71  12.011   4.377   0.957
  529    HA   THR  71           HA       THR  71  12.755   2.234   2.793
  530    HB   THR  71           HB       THR  71  12.509   4.139   4.584
  531    HG1  THR  71           HG1      THR  71  13.659   5.742   2.578
  532   HG21  THR  71          HG21      THR  71  14.969   3.833   2.857
  533   HG22  THR  71          HG22      THR  71  14.545   2.855   4.264
  534   HG23  THR  71          HG23      THR  71  14.940   4.561   4.463
  535    H    VAL  72           HN       VAL  72  10.954   1.162   3.096
  536    HA   VAL  72           HA       VAL  72   8.422   2.025   2.388
  537    HB   VAL  72           HB       VAL  72   9.119  -0.191   4.346
  538   HG11  VAL  72          HG11      VAL  72   6.766   0.409   4.392
  539   HG12  VAL  72          HG12      VAL  72   7.028  -1.186   3.685
  540   HG13  VAL  72          HG13      VAL  72   6.682   0.195   2.643
  541   HG21  VAL  72          HG21      VAL  72   9.013  -1.661   2.379
  542   HG22  VAL  72          HG22      VAL  72  10.296  -0.463   2.229
  543   HG23  VAL  72          HG23      VAL  72   8.788  -0.251   1.343
  544    H    GLY  73           HN       GLY  73  10.175   2.636   5.285
  545    HA2  GLY  73           HA2      GLY  73   7.824   3.040   6.938
  546    HA3  GLY  73           HA1      GLY  73   9.493   3.426   7.378
  547    H    ASN  74           HN       ASN  74  10.092   5.140   5.198
  548    HA   ASN  74           HA       ASN  74   8.780   7.521   6.033
  549    HB2  ASN  74           HB2      ASN  74  10.572   6.954   3.660
  550    HB3  ASN  74           HB1      ASN  74   9.898   8.546   3.995
  551   HD21  ASN  74          HD21      ASN  74  12.379   6.341   4.677
  552   HD22  ASN  74          HD22      ASN  74  13.159   7.254   5.933
  553    H    ILE  75           HN       ILE  75   8.464   5.302   3.335
  554    HA   ILE  75           HA       ILE  75   6.599   6.809   1.855
  555    HB   ILE  75           HB       ILE  75   6.922   3.808   1.931
  556   HG12  ILE  75          HG12      ILE  75   9.036   4.943   1.374
  557   HG13  ILE  75          HG11      ILE  75   8.378   4.091  -0.023
  558   HG21  ILE  75          HG21      ILE  75   5.924   3.884  -0.304
  559   HG22  ILE  75          HG22      ILE  75   5.676   5.621  -0.125
  560   HG23  ILE  75          HG23      ILE  75   4.829   4.495   0.935
  561   HD11  ILE  75          HD11      ILE  75   9.279   6.252  -0.645
  562   HD12  ILE  75          HD12      ILE  75   8.193   7.048   0.492
  563   HD13  ILE  75          HD13      ILE  75   7.536   6.200  -0.908
  564    H    SER  76           HN       SER  76   6.055   3.944   3.915
  565    HA   SER  76           HA       SER  76   3.347   3.783   3.482
  566    HB2  SER  76           HB2      SER  76   4.844   2.880   5.925
  567    HB3  SER  76           HB1      SER  76   3.227   2.346   5.452
  568    HG   SER  76           HG       SER  76   5.695   1.872   4.162
  569    H    ASN  77           HN       ASN  77   4.810   5.054   6.453
  570    HA   ASN  77           HA       ASN  77   2.193   5.712   7.361
  571    HB2  ASN  77           HB2      ASN  77   4.797   5.678   8.581
  572    HB3  ASN  77           HB1      ASN  77   3.888   7.116   9.058
  573   HD21  ASN  77          HD21      ASN  77   1.273   5.946   8.820
  574   HD22  ASN  77          HD22      ASN  77   1.080   4.787  10.098
  575    H    ASP  78           HN       ASP  78   4.412   7.562   5.440
  576    HA   ASP  78           HA       ASP  78   3.033  10.035   5.937
  577    HB2  ASP  78           HB2      ASP  78   4.789   9.124   3.680
  578    HB3  ASP  78           HB1      ASP  78   3.874  10.627   3.577
  579    H    ILE  79           HN       ILE  79   2.692   7.365   3.684
  580    HA   ILE  79           HA       ILE  79   0.499   8.295   2.201
  581    HB   ILE  79           HB       ILE  79   1.256   5.497   3.071
  582   HG12  ILE  79          HG12      ILE  79   1.503   6.848   0.375
  583   HG13  ILE  79          HG11      ILE  79   2.818   6.683   1.541
  584   HG21  ILE  79          HG21      ILE  79  -0.291   4.668   1.356
  585   HG22  ILE  79          HG22      ILE  79  -0.863   6.315   1.087
  586   HG23  ILE  79          HG23      ILE  79  -1.127   5.532   2.645
  587   HD11  ILE  79          HD11      ILE  79   2.761   4.299   1.348
  588   HD12  ILE  79          HD12      ILE  79   2.858   4.998  -0.268
  589   HD13  ILE  79          HD13      ILE  79   1.324   4.371   0.335
  590    H    ASN  80           HN       ASN  80   0.796   7.021   5.416
  591    HA   ASN  80           HA       ASN  80  -2.011   6.473   5.610
  592    HB2  ASN  80           HB2      ASN  80   0.040   6.332   7.814
  593    HB3  ASN  80           HB1      ASN  80  -1.547   5.573   7.799
  594   HD21  ASN  80          HD21      ASN  80   1.104   4.430   8.135
  595   HD22  ASN  80          HD22      ASN  80   1.300   3.243   6.885
  596    H    LYS  81           HN       LYS  81   0.218   8.918   6.828
  597    HA   LYS  81           HA       LYS  81  -1.529  10.134   8.641
  598    HB2  LYS  81           HB2      LYS  81  -0.183  12.115   8.462
  599    HB3  LYS  81           HB1      LYS  81   0.895  10.728   8.334
  600    HG2  LYS  81           HG2      LYS  81   0.812  11.010   5.849
  601    HG3  LYS  81           HG1      LYS  81  -0.061  12.519   6.117
  602    HD2  LYS  81           HD2      LYS  81   1.823  13.367   7.431
  603    HD3  LYS  81           HD1      LYS  81   2.697  11.861   7.148
  604    HE2  LYS  81           HE2      LYS  81   2.525  12.320   4.697
  605    HE3  LYS  81           HE1      LYS  81   1.849  13.897   5.096
  606    HZ1  LYS  81           HZ1      LYS  81   3.898  14.401   6.311
  607    HZ2  LYS  81           HZ2      LYS  81   4.206  14.073   4.682
  608    HZ3  LYS  81           HZ3      LYS  81   4.542  12.901   5.859
  609    H    LEU  82           HN       LEU  82  -1.443  10.079   5.206
  610    HA   LEU  82           HA       LEU  82  -3.090  12.248   4.556
  611    HB2  LEU  82           HB2      LEU  82  -3.102   9.604   3.117
  612    HB3  LEU  82           HB1      LEU  82  -3.350  11.205   2.444
  613    HG   LEU  82           HG       LEU  82  -0.726  10.035   3.432
  614   HD11  LEU  82          HD11      LEU  82  -0.074  10.277   1.083
  615   HD12  LEU  82          HD12      LEU  82  -1.680  10.881   0.681
  616   HD13  LEU  82          HD13      LEU  82  -1.478   9.223   1.246
  617   HD21  LEU  82          HD21      LEU  82   0.278  12.145   2.690
  618   HD22  LEU  82          HD22      LEU  82  -0.890  12.430   3.979
  619   HD23  LEU  82          HD23      LEU  82  -1.317  12.793   2.307
  620    H    ASN  83           HN       ASN  83  -3.778   9.225   6.034
  621    HA   ASN  83           HA       ASN  83  -5.647   7.886   6.198
  622    HB2  ASN  83           HB2      ASN  83  -6.136  10.509   7.396
  623    HB3  ASN  83           HB1      ASN  83  -7.589   9.550   7.117
  624   HD21  ASN  83          HD21      ASN  83  -4.500   8.015   7.648
  625   HD22  ASN  83          HD22      ASN  83  -4.856   7.385   9.226
  626    H    ILE  84           HN       ILE  84  -6.215   7.099   4.315
  627    HA   ILE  84           HA       ILE  84  -7.198   8.697   2.202
  628    HB   ILE  84           HB       ILE  84  -6.891   5.718   2.471
  629   HG12  ILE  84          HG12      ILE  84  -4.819   6.947   2.529
  630   HG13  ILE  84          HG11      ILE  84  -4.980   6.160   0.956
  631   HG21  ILE  84          HG21      ILE  84  -8.645   6.201   0.832
  632   HG22  ILE  84          HG22      ILE  84  -7.183   5.619   0.034
  633   HG23  ILE  84          HG23      ILE  84  -7.577   7.339   0.010
  634   HD11  ILE  84          HD11      ILE  84  -5.372   9.066   1.577
  635   HD12  ILE  84          HD12      ILE  84  -5.843   8.322   0.049
  636   HD13  ILE  84          HD13      ILE  84  -4.147   8.329   0.542
  637    H    LYS  85           HN       LYS  85  -9.064   9.454   2.072
  638    HA   LYS  85           HA       LYS  85 -11.441   8.041   2.948
  639    HB2  LYS  85           HB2      LYS  85 -12.569  10.204   2.266
  640    HB3  LYS  85           HB1      LYS  85 -11.365  10.352   3.544
  641    HG2  LYS  85           HG2      LYS  85 -10.381  10.790   0.741
  642    HG3  LYS  85           HG1      LYS  85 -11.384  12.046   1.496
  643    HD2  LYS  85           HD2      LYS  85  -9.667  12.734   2.746
  644    HD3  LYS  85           HD1      LYS  85  -9.367  11.098   3.332
  645    HE2  LYS  85           HE2      LYS  85  -7.432  12.120   2.145
  646    HE3  LYS  85           HE1      LYS  85  -7.972  10.596   1.433
  647    HZ1  LYS  85           HZ1      LYS  85  -8.670  13.313   0.433
  648    HZ2  LYS  85           HZ2      LYS  85  -9.138  11.848  -0.267
  649    HZ3  LYS  85           HZ3      LYS  85  -7.509  12.287  -0.243
  650    H    GLY  86           HN       GLY  86 -12.495   6.769   1.550
  651    HA2  GLY  86           HA2      GLY  86 -13.136   7.407  -1.083
  652    HA3  GLY  86           HA1      GLY  86 -11.636   6.477  -1.120
  653    HA   PRO  87           HA       PRO  87 -15.457   3.734  -0.280
  654    HB2  PRO  87           HB2      PRO  87 -16.696   3.383  -2.618
  655    HB3  PRO  87           HB1      PRO  87 -17.023   4.816  -1.628
  656    HG2  PRO  87           HG2      PRO  87 -15.188   4.522  -3.983
  657    HG3  PRO  87           HG1      PRO  87 -16.399   5.790  -3.671
  658    HD2  PRO  87           HD2      PRO  87 -13.743   6.110  -3.147
  659    HD3  PRO  87           HD1      PRO  87 -15.016   6.909  -2.196
  660    H    TYR  88           HN       TYR  88 -13.528   3.771  -3.263
  661    HA   TYR  88           HA       TYR  88 -12.951   0.928  -2.805
  662    HB2  TYR  88           HB2      TYR  88 -12.571   2.235  -5.484
  663    HB3  TYR  88           HB1      TYR  88 -12.779   0.524  -5.103
  664    HD1  TYR  88           HD1      TYR  88 -14.394   3.563  -6.090
  665    HD2  TYR  88           HD2      TYR  88 -15.091  -0.263  -4.370
  666    HE1  TYR  88           HE1      TYR  88 -16.781   3.763  -6.634
  667    HE2  TYR  88           HE2      TYR  88 -17.483  -0.073  -4.912
  668    HH   TYR  88           HH       TYR  88 -19.136   1.636  -5.361
  669    H    ILE  89           HN       ILE  89 -11.087   1.047  -1.654
  670    HA   ILE  89           HA       ILE  89  -9.048   2.982  -2.482
  671    HB   ILE  89           HB       ILE  89  -9.186   1.329   0.046
  672   HG12  ILE  89          HG12      ILE  89  -9.765   4.273  -0.342
  673   HG13  ILE  89          HG11      ILE  89 -11.009   3.027  -0.246
  674   HG21  ILE  89          HG21      ILE  89  -6.909   1.929  -0.504
  675   HG22  ILE  89          HG22      ILE  89  -7.461   2.909   0.854
  676   HG23  ILE  89          HG23      ILE  89  -7.381   3.609  -0.762
  677   HD11  ILE  89          HD11      ILE  89 -10.727   4.190   1.874
  678   HD12  ILE  89          HD12      ILE  89  -9.029   3.717   1.918
  679   HD13  ILE  89          HD13      ILE  89 -10.290   2.490   2.021
  680    H    GLU  90           HN       GLU  90  -7.296   2.348  -3.527
  681    HA   GLU  90           HA       GLU  90  -6.604  -0.515  -3.484
  682    HB2  GLU  90           HB2      GLU  90  -6.321   1.424  -5.772
  683    HB3  GLU  90           HB1      GLU  90  -5.829  -0.264  -5.791
  684    HG2  GLU  90           HG2      GLU  90  -8.140  -0.960  -5.536
  685    HG3  GLU  90           HG1      GLU  90  -8.654   0.730  -5.456
  686    H    ILE  91           HN       ILE  91  -4.682  -0.876  -2.641
  687    HA   ILE  91           HA       ILE  91  -2.540   1.017  -3.261
  688    HB   ILE  91           HB       ILE  91  -3.295   1.253  -0.877
  689   HG12  ILE  91          HG12      ILE  91  -0.490   0.169  -1.056
  690   HG13  ILE  91          HG11      ILE  91  -0.955   1.754  -1.658
  691   HG21  ILE  91          HG21      ILE  91  -3.880  -1.088  -0.459
  692   HG22  ILE  91          HG22      ILE  91  -2.771  -0.448   0.755
  693   HG23  ILE  91          HG23      ILE  91  -2.165  -1.510  -0.519
  694   HD11  ILE  91          HD11      ILE  91   0.106   1.752   0.587
  695   HD12  ILE  91          HD12      ILE  91  -1.301   0.877   1.195
  696   HD13  ILE  91          HD13      ILE  91  -1.488   2.501   0.535
  697    H    LYS  92           HN       LYS  92  -1.483  -0.074  -4.825
  698    HA   LYS  92           HA       LYS  92  -0.422  -2.722  -4.314
  699    HB2  LYS  92           HB2      LYS  92  -1.533  -3.645  -6.398
  700    HB3  LYS  92           HB1      LYS  92  -2.622  -3.368  -5.038
  701    HG2  LYS  92           HG2      LYS  92  -3.866  -2.438  -6.702
  702    HG3  LYS  92           HG1      LYS  92  -2.923  -1.025  -6.214
  703    HD2  LYS  92           HD2      LYS  92  -2.834  -1.055  -8.557
  704    HD3  LYS  92           HD1      LYS  92  -1.274  -1.671  -8.019
  705    HE2  LYS  92           HE2      LYS  92  -2.001  -3.052  -9.818
  706    HE3  LYS  92           HE1      LYS  92  -2.166  -3.986  -8.330
  707    HZ1  LYS  92           HZ1      LYS  92  -4.538  -3.426  -8.323
  708    HZ2  LYS  92           HZ2      LYS  92  -4.093  -4.273  -9.716
  709    HZ3  LYS  92           HZ3      LYS  92  -4.351  -2.604  -9.791
  710    H    GLN  93           HN       GLN  93   1.227  -3.285  -5.853
  711    HA   GLN  93           HA       GLN  93   2.195  -0.982  -7.309
  712    HB2  GLN  93           HB2      GLN  93   4.204  -2.338  -7.776
  713    HB3  GLN  93           HB1      GLN  93   3.855  -2.174  -6.067
  714    HG2  GLN  93           HG2      GLN  93   4.443  -4.395  -6.244
  715    HG3  GLN  93           HG1      GLN  93   2.681  -4.472  -6.348
  716   HE21  GLN  93          HE21      GLN  93   4.795  -3.358  -8.919
  717   HE22  GLN  93          HE22      GLN  93   4.456  -4.662 -10.003
  718    H    ILE  94           HN       ILE  94   3.150  -1.489  -9.561
  719    HA   ILE  94           HA       ILE  94   0.794  -2.468 -11.032
  720    HB   ILE  94           HB       ILE  94   1.436  -0.483 -12.591
  721   HG12  ILE  94          HG12      ILE  94   2.987   0.037 -10.087
  722   HG13  ILE  94          HG11      ILE  94   3.432   0.357 -11.757
  723   HG21  ILE  94          HG21      ILE  94  -0.030   0.993 -11.310
  724   HG22  ILE  94          HG22      ILE  94   0.162  -0.048  -9.900
  725   HG23  ILE  94          HG23      ILE  94  -0.645  -0.659 -11.344
  726   HD11  ILE  94          HD11      ILE  94   1.505   1.926 -10.077
  727   HD12  ILE  94          HD12      ILE  94   1.872   2.252 -11.772
  728   HD13  ILE  94          HD13      ILE  94   3.133   2.407 -10.546
  Start of MODEL   21
    1    H    ASP   1           HT1      ASP   1 -24.385  -2.788   0.323
    2    HA   ASP   1           HA       ASP   1 -23.594  -0.574   2.111
    3    HB2  ASP   1           HB2      ASP   1 -25.674  -2.737   2.479
    4    HB3  ASP   1           HB1      ASP   1 -25.046  -1.749   3.794
    5    H    ASN   2           HN       ASN   2 -22.272  -1.168   3.805
    6    HA   ASN   2           HA       ASN   2 -20.699  -2.299   4.959
    7    HB2  ASN   2           HB2      ASN   2 -22.368  -4.650   4.077
    8    HB3  ASN   2           HB1      ASN   2 -20.935  -4.838   5.083
    9   HD21  ASN   2          HD21      ASN   2 -24.192  -3.677   4.927
   10   HD22  ASN   2          HD22      ASN   2 -24.401  -3.424   6.624
   11    H    GLN   3           HN       GLN   3 -20.572  -1.911   1.901
   12    HA   GLN   3           HA       GLN   3 -18.519  -3.699   1.072
   13    HB2  GLN   3           HB2      GLN   3 -19.460  -0.994   0.180
   14    HB3  GLN   3           HB1      GLN   3 -17.948  -1.636  -0.438
   15    HG2  GLN   3           HG2      GLN   3 -19.068  -3.543  -1.354
   16    HG3  GLN   3           HG1      GLN   3 -20.604  -3.021  -0.650
   17   HE21  GLN   3          HE21      GLN   3 -21.577  -2.946  -2.691
   18   HE22  GLN   3          HE22      GLN   3 -21.236  -1.680  -3.819
   19    H    LYS   4           HN       LYS   4 -18.716  -0.710   2.792
   20    HA   LYS   4           HA       LYS   4 -15.999  -0.063   3.061
   21    HB2  LYS   4           HB2      LYS   4 -18.499   0.893   3.930
   22    HB3  LYS   4           HB1      LYS   4 -17.563   0.615   5.389
   23    HG2  LYS   4           HG2      LYS   4 -15.806   2.067   4.580
   24    HG3  LYS   4           HG1      LYS   4 -16.650   2.269   3.042
   25    HD2  LYS   4           HD2      LYS   4 -18.586   3.201   4.363
   26    HD3  LYS   4           HD1      LYS   4 -17.514   3.220   5.764
   27    HE2  LYS   4           HE2      LYS   4 -17.568   5.402   4.701
   28    HE3  LYS   4           HE1      LYS   4 -15.967   4.682   4.551
   29    HZ1  LYS   4           HZ1      LYS   4 -16.751   5.726   2.488
   30    HZ2  LYS   4           HZ2      LYS   4 -18.043   4.638   2.430
   31    HZ3  LYS   4           HZ3      LYS   4 -16.454   4.074   2.295
   32    H    ALA   5           HN       ALA   5 -18.025  -2.388   4.610
   33    HA   ALA   5           HA       ALA   5 -16.148  -2.845   6.771
   34    HB1  ALA   5           HB1      ALA   5 -18.773  -4.194   6.191
   35    HB2  ALA   5           HB2      ALA   5 -18.541  -2.824   7.277
   36    HB3  ALA   5           HB3      ALA   5 -17.807  -4.382   7.654
   37    H    LEU   6           HN       LEU   6 -17.845  -4.981   4.533
   38    HA   LEU   6           HA       LEU   6 -15.695  -6.921   4.824
   39    HB2  LEU   6           HB2      LEU   6 -18.491  -7.096   3.753
   40    HB3  LEU   6           HB1      LEU   6 -17.320  -8.365   3.435
   41    HG   LEU   6           HG       LEU   6 -17.050  -8.585   5.944
   42   HD11  LEU   6          HD11      LEU   6 -18.888  -7.770   7.335
   43   HD12  LEU   6          HD12      LEU   6 -19.544  -6.895   5.951
   44   HD13  LEU   6          HD13      LEU   6 -17.975  -6.443   6.617
   45   HD21  LEU   6          HD21      LEU   6 -19.076  -9.925   6.181
   46   HD22  LEU   6          HD22      LEU   6 -18.320 -10.171   4.607
   47   HD23  LEU   6          HD23      LEU   6 -19.756  -9.156   4.748
   48    H    GLU   7           HN       GLU   7 -17.671  -5.937   2.037
   49    HA   GLU   7           HA       GLU   7 -16.623  -7.501   0.181
   50    HB2  GLU   7           HB2      GLU   7 -17.418  -4.639  -0.277
   51    HB3  GLU   7           HB1      GLU   7 -17.261  -5.856  -1.535
   52    HG2  GLU   7           HG2      GLU   7 -19.212  -5.858   0.753
   53    HG3  GLU   7           HG1      GLU   7 -19.571  -5.632  -0.958
   54    H    GLU   8           HN       GLU   8 -15.495  -4.141  -0.208
   55    HA   GLU   8           HA       GLU   8 -13.270  -5.070  -1.719
   56    HB2  GLU   8           HB2      GLU   8 -13.971  -2.352  -0.633
   57    HB3  GLU   8           HB1      GLU   8 -12.529  -2.649  -1.591
   58    HG2  GLU   8           HG2      GLU   8 -14.305  -1.758  -2.972
   59    HG3  GLU   8           HG1      GLU   8 -13.923  -3.408  -3.452
   60    H    GLN   9           HN       GLN   9 -13.695  -4.328   1.610
   61    HA   GLN   9           HA       GLN   9 -10.875  -4.100   2.171
   62    HB2  GLN   9           HB2      GLN   9 -13.363  -3.982   3.830
   63    HB3  GLN   9           HB1      GLN   9 -11.803  -4.190   4.611
   64    HG2  GLN   9           HG2      GLN   9 -12.430  -1.863   4.593
   65    HG3  GLN   9           HG1      GLN   9 -11.011  -2.119   3.584
   66   HE21  GLN   9          HE21      GLN   9 -11.186  -1.875   1.361
   67   HE22  GLN   9          HE22      GLN   9 -12.535  -1.077   0.624
   68    H    MET  10           HN       MET  10 -12.334  -6.706   1.209
   69    HA   MET  10           HA       MET  10 -11.479  -8.532   3.304
   70    HB2  MET  10           HB2      MET  10 -12.731  -9.006   0.597
   71    HB3  MET  10           HB1      MET  10 -12.212 -10.311   1.654
   72    HG2  MET  10           HG2      MET  10 -13.747  -9.441   3.391
   73    HG3  MET  10           HG1      MET  10 -14.332  -8.261   2.221
   74    HE1  MET  10           HE1      MET  10 -15.393  -8.997  -0.143
   75    HE2  MET  10           HE2      MET  10 -15.864 -10.648  -0.534
   76    HE3  MET  10           HE3      MET  10 -14.158 -10.211  -0.470
   77    H    ASN  11           HN       ASN  11 -10.741 -10.503   1.061
   78    HA   ASN  11           HA       ASN  11  -7.969 -10.294   1.399
   79    HB2  ASN  11           HB2      ASN  11  -9.605 -11.939  -0.525
   80    HB3  ASN  11           HB1      ASN  11  -7.856 -12.082  -0.383
   81   HD21  ASN  11          HD21      ASN  11  -6.965 -12.947   1.509
   82   HD22  ASN  11          HD22      ASN  11  -7.919 -13.869   2.617
   83    H    SER  12           HN       SER  12  -9.937  -8.565  -0.706
   84    HA   SER  12           HA       SER  12  -8.465  -8.185  -2.988
   85    HB2  SER  12           HB2      SER  12  -9.811  -5.991  -1.390
   86    HB3  SER  12           HB1      SER  12  -9.464  -5.972  -3.123
   87    HG   SER  12           HG       SER  12 -11.448  -6.716  -3.198
   88    H    ILE  13           HN       ILE  13  -7.959  -6.623   0.189
   89    HA   ILE  13           HA       ILE  13  -5.491  -5.432  -0.807
   90    HB   ILE  13           HB       ILE  13  -5.270  -4.342   1.347
   91   HG12  ILE  13          HG12      ILE  13  -7.892  -5.538   2.212
   92   HG13  ILE  13          HG11      ILE  13  -6.359  -6.321   2.591
   93   HG21  ILE  13          HG21      ILE  13  -8.064  -4.122   0.240
   94   HG22  ILE  13          HG22      ILE  13  -6.640  -3.250  -0.328
   95   HG23  ILE  13          HG23      ILE  13  -7.280  -2.940   1.288
   96   HD11  ILE  13          HD11      ILE  13  -7.107  -4.953   4.438
   97   HD12  ILE  13          HD12      ILE  13  -7.172  -3.538   3.385
   98   HD13  ILE  13          HD13      ILE  13  -5.623  -4.302   3.741
   99    H    ASN  14           HN       ASN  14  -6.531  -8.159   1.064
  100    HA   ASN  14           HA       ASN  14  -4.142  -8.656   2.495
  101    HB2  ASN  14           HB2      ASN  14  -6.158 -10.649   1.496
  102    HB3  ASN  14           HB1      ASN  14  -4.932 -10.974   2.701
  103   HD21  ASN  14          HD21      ASN  14  -6.469 -11.566   4.216
  104   HD22  ASN  14          HD22      ASN  14  -7.456 -10.401   5.027
  105    H    SER  15           HN       SER  15  -5.271  -9.597  -0.702
  106    HA   SER  15           HA       SER  15  -3.183 -11.257  -1.483
  107    HB2  SER  15           HB2      SER  15  -5.199 -10.829  -2.853
  108    HB3  SER  15           HB1      SER  15  -4.631  -9.191  -3.164
  109    HG   SER  15           HG       SER  15  -3.688 -11.635  -4.153
  110    H    VAL  16           HN       VAL  16  -3.367  -7.753  -1.299
  111    HA   VAL  16           HA       VAL  16  -0.775  -7.255  -2.359
  112    HB   VAL  16           HB       VAL  16  -2.477  -5.524  -0.533
  113   HG11  VAL  16          HG11      VAL  16  -0.119  -4.874  -0.481
  114   HG12  VAL  16          HG12      VAL  16  -1.083  -3.672  -1.339
  115   HG13  VAL  16          HG13      VAL  16  -0.084  -4.810  -2.243
  116   HG21  VAL  16          HG21      VAL  16  -3.581  -6.035  -2.646
  117   HG22  VAL  16          HG22      VAL  16  -2.150  -5.516  -3.538
  118   HG23  VAL  16          HG23      VAL  16  -3.077  -4.346  -2.599
  119    H    ASN  17           HN       ASN  17  -2.081  -7.895   0.859
  120    HA   ASN  17           HA       ASN  17   0.248  -7.106   2.291
  121    HB2  ASN  17           HB2      ASN  17  -2.136  -8.796   2.978
  122    HB3  ASN  17           HB1      ASN  17  -0.770  -8.708   4.081
  123   HD21  ASN  17          HD21      ASN  17  -3.441  -6.992   2.682
  124   HD22  ASN  17          HD22      ASN  17  -3.377  -5.633   3.753
  125    H    ASP  18           HN       ASP  18  -0.920 -10.259   1.171
  126    HA   ASP  18           HA       ASP  18   1.281 -11.747   2.175
  127    HB2  ASP  18           HB2      ASP  18  -0.755 -12.350   0.027
  128    HB3  ASP  18           HB1      ASP  18   0.475 -13.506   0.530
  129    H    LYS  19           HN       LYS  19   0.986  -9.660  -0.480
  130    HA   LYS  19           HA       LYS  19   2.996 -11.016  -2.097
  131    HB2  LYS  19           HB2      LYS  19   1.070 -10.060  -3.237
  132    HB3  LYS  19           HB1      LYS  19   1.410  -8.482  -2.546
  133    HG2  LYS  19           HG2      LYS  19   3.456  -8.324  -3.827
  134    HG3  LYS  19           HG1      LYS  19   3.204  -9.952  -4.468
  135    HD2  LYS  19           HD2      LYS  19   2.524  -8.234  -6.081
  136    HD3  LYS  19           HD1      LYS  19   1.154  -9.219  -5.567
  137    HE2  LYS  19           HE2      LYS  19   0.489  -7.460  -3.994
  138    HE3  LYS  19           HE1      LYS  19   1.852  -6.475  -4.521
  139    HZ1  LYS  19           HZ1      LYS  19  -0.386  -7.379  -6.252
  140    HZ2  LYS  19           HZ2      LYS  19   0.900  -6.389  -6.729
  141    HZ3  LYS  19           HZ3      LYS  19  -0.223  -5.828  -5.599
  142    H    LEU  20           HN       LEU  20   2.563  -8.126  -0.165
  143    HA   LEU  20           HA       LEU  20   5.199  -7.124  -0.821
  144    HB2  LEU  20           HB2      LEU  20   3.064  -6.118   1.050
  145    HB3  LEU  20           HB1      LEU  20   4.558  -5.265   0.694
  146    HG   LEU  20           HG       LEU  20   2.284  -5.858  -1.202
  147   HD11  LEU  20          HD11      LEU  20   3.459  -3.281  -0.184
  148   HD12  LEU  20          HD12      LEU  20   1.894  -3.970   0.250
  149   HD13  LEU  20          HD13      LEU  20   2.189  -3.418  -1.399
  150   HD21  LEU  20          HD21      LEU  20   4.395  -6.178  -2.377
  151   HD22  LEU  20          HD22      LEU  20   4.958  -4.604  -1.816
  152   HD23  LEU  20          HD23      LEU  20   3.587  -4.711  -2.919
  153    H    ASN  21           HN       ASN  21   3.656  -8.870   1.780
  154    HA   ASN  21           HA       ASN  21   5.928  -8.607   3.539
  155    HB2  ASN  21           HB2      ASN  21   3.341 -10.111   3.622
  156    HB3  ASN  21           HB1      ASN  21   4.657 -10.640   4.669
  157   HD21  ASN  21          HD21      ASN  21   2.356  -8.094   4.001
  158   HD22  ASN  21          HD22      ASN  21   2.598  -7.234   5.486
  159    H    LYS  22           HN       LYS  22   7.648  -9.280   2.244
  160    HA   LYS  22           HA       LYS  22   7.618 -12.119   1.489
  161    HB2  LYS  22           HB2      LYS  22   9.378 -11.195  -0.282
  162    HB3  LYS  22           HB1      LYS  22   7.651 -11.262  -0.595
  163    HG2  LYS  22           HG2      LYS  22   8.627  -9.152  -1.328
  164    HG3  LYS  22           HG1      LYS  22   7.437  -8.902  -0.054
  165    HD2  LYS  22           HD2      LYS  22   9.096  -8.431   1.545
  166    HD3  LYS  22           HD1      LYS  22  10.379  -9.090   0.534
  167    HE2  LYS  22           HE2      LYS  22   8.770  -6.623  -0.074
  168    HE3  LYS  22           HE1      LYS  22  10.383  -6.614   0.634
  169    HZ1  LYS  22           HZ1      LYS  22  11.117  -7.869  -1.395
  170    HZ2  LYS  22           HZ2      LYS  22  10.636  -6.278  -1.688
  171    HZ3  LYS  22           HZ3      LYS  22   9.601  -7.556  -2.075
  172    H    GLY  23           HN       GLY  23   9.682  -9.507   2.687
  173    HA2  GLY  23           HA2      GLY  23  11.430 -11.124   4.121
  174    HA3  GLY  23           HA1      GLY  23  12.114 -10.946   2.505
  175    H    LYS  24           HN       LYS  24  12.314  -8.648   1.697
  176    HA   LYS  24           HA       LYS  24  13.289  -6.888   3.730
  177    HB2  LYS  24           HB2      LYS  24  12.630  -6.071   0.895
  178    HB3  LYS  24           HB1      LYS  24  13.755  -5.331   2.024
  179    HG2  LYS  24           HG2      LYS  24  15.257  -7.186   1.902
  180    HG3  LYS  24           HG1      LYS  24  14.119  -8.088   0.899
  181    HD2  LYS  24           HD2      LYS  24  14.339  -6.542  -0.874
  182    HD3  LYS  24           HD1      LYS  24  15.270  -5.433   0.120
  183    HE2  LYS  24           HE2      LYS  24  16.703  -6.678  -1.433
  184    HE3  LYS  24           HE1      LYS  24  17.091  -7.042   0.247
  185    HZ1  LYS  24           HZ1      LYS  24  15.912  -9.101   0.079
  186    HZ2  LYS  24           HZ2      LYS  24  17.012  -9.018  -1.202
  187    HZ3  LYS  24           HZ3      LYS  24  15.371  -8.732  -1.476
  188    H    GLY  25           HN       GLY  25  12.247  -4.442   2.685
  189    HA2  GLY  25           HA2      GLY  25  10.269  -3.778   4.372
  190    HA3  GLY  25           HA1      GLY  25  10.409  -3.069   2.799
  191    H    LYS  26           HN       LYS  26   8.248  -4.024   4.717
  192    HA   LYS  26           HA       LYS  26   6.610  -5.387   2.695
  193    HB2  LYS  26           HB2      LYS  26   5.749  -6.796   4.624
  194    HB3  LYS  26           HB1      LYS  26   7.394  -7.144   4.088
  195    HG2  LYS  26           HG2      LYS  26   8.012  -5.377   5.927
  196    HG3  LYS  26           HG1      LYS  26   6.445  -5.872   6.597
  197    HD2  LYS  26           HD2      LYS  26   7.763  -7.440   7.610
  198    HD3  LYS  26           HD1      LYS  26   7.468  -8.290   6.091
  199    HE2  LYS  26           HE2      LYS  26   9.576  -7.120   5.225
  200    HE3  LYS  26           HE1      LYS  26   9.886  -6.717   6.914
  201    HZ1  LYS  26           HZ1      LYS  26   9.512  -9.486   5.927
  202    HZ2  LYS  26           HZ2      LYS  26   9.960  -9.024   7.487
  203    HZ3  LYS  26           HZ3      LYS  26  11.017  -8.762   6.191
  204    H    LEU  27           HN       LEU  27   4.413  -4.893   2.811
  205    HA   LEU  27           HA       LEU  27   3.822  -2.630   4.583
  206    HB2  LEU  27           HB2      LEU  27   4.105  -2.036   2.189
  207    HB3  LEU  27           HB1      LEU  27   2.761  -3.100   1.797
  208    HG   LEU  27           HG       LEU  27   1.249  -1.695   3.109
  209   HD11  LEU  27          HD11      LEU  27   3.709  -0.022   3.578
  210   HD12  LEU  27          HD12      LEU  27   2.779  -0.904   4.792
  211   HD13  LEU  27          HD13      LEU  27   2.061   0.472   3.957
  212   HD21  LEU  27          HD21      LEU  27   1.276   0.273   1.656
  213   HD22  LEU  27          HD22      LEU  27   1.557  -1.207   0.738
  214   HD23  LEU  27          HD23      LEU  27   2.907  -0.139   1.125
  215    H    SER  28           HN       SER  28   2.265  -2.951   5.971
  216    HA   SER  28           HA       SER  28   0.319  -5.096   5.512
  217    HB2  SER  28           HB2      SER  28   0.930  -3.503   8.022
  218    HB3  SER  28           HB1      SER  28  -0.173  -4.880   7.913
  219    HG   SER  28           HG       SER  28   1.505  -6.227   7.616
  220    H    LEU  29           HN       LEU  29  -1.383  -4.350   4.394
  221    HA   LEU  29           HA       LEU  29  -2.250  -1.597   4.577
  222    HB2  LEU  29           HB2      LEU  29  -3.257  -3.954   3.000
  223    HB3  LEU  29           HB1      LEU  29  -4.043  -2.386   2.972
  224    HG   LEU  29           HG       LEU  29  -1.868  -1.428   2.118
  225   HD11  LEU  29          HD11      LEU  29  -0.390  -3.242   2.827
  226   HD12  LEU  29          HD12      LEU  29  -0.284  -2.962   1.089
  227   HD13  LEU  29          HD13      LEU  29  -1.198  -4.338   1.705
  228   HD21  LEU  29          HD21      LEU  29  -3.793  -1.864   0.682
  229   HD22  LEU  29          HD22      LEU  29  -3.237  -3.520   0.436
  230   HD23  LEU  29          HD23      LEU  29  -2.278  -2.170  -0.165
  231    H    SER  30           HN       SER  30  -3.841  -0.792   5.741
  232    HA   SER  30           HA       SER  30  -5.985  -2.569   6.494
  233    HB2  SER  30           HB2      SER  30  -4.358  -2.549   8.400
  234    HB3  SER  30           HB1      SER  30  -4.621  -0.811   8.545
  235    HG   SER  30           HG       SER  30  -5.938  -2.513   9.831
  236    H    MET  31           HN       MET  31  -7.929  -1.613   6.335
  237    HA   MET  31           HA       MET  31  -7.961   1.300   5.878
  238    HB2  MET  31           HB2      MET  31  -9.809  -0.799   4.716
  239    HB3  MET  31           HB1      MET  31  -9.894   0.930   4.408
  240    HG2  MET  31           HG2      MET  31  -7.680   0.840   3.364
  241    HG3  MET  31           HG1      MET  31  -7.629  -0.898   3.644
  242    HE1  MET  31           HE1      MET  31  -9.380   2.035   1.762
  243    HE2  MET  31           HE2      MET  31 -10.765   1.265   2.539
  244    HE3  MET  31           HE3      MET  31 -10.587   1.196   0.787
  245    H    ASN  32           HN       ASN  32  -9.348   2.500   7.063
  246    HA   ASN  32           HA       ASN  32 -11.362   1.090   8.677
  247    HB2  ASN  32           HB2      ASN  32  -9.397   3.154   9.703
  248    HB3  ASN  32           HB1      ASN  32 -10.805   2.591  10.601
  249   HD21  ASN  32          HD21      ASN  32 -10.814   0.532  11.459
  250   HD22  ASN  32          HD22      ASN  32  -9.366  -0.412  11.609
  251    H    GLY  33           HN       GLY  33 -12.940   1.859   7.258
  252    HA2  GLY  33           HA2      GLY  33 -14.622   3.295   6.675
  253    HA3  GLY  33           HA1      GLY  33 -14.123   4.298   8.031
  254    H    ASN  34           HN       ASN  34 -12.701   6.023   7.671
  255    HA   ASN  34           HA       ASN  34 -12.475   6.817   4.847
  256    HB2  ASN  34           HB2      ASN  34 -12.359   9.138   5.691
  257    HB3  ASN  34           HB1      ASN  34 -13.853   8.340   6.166
  258   HD21  ASN  34          HD21      ASN  34 -10.548   8.936   7.373
  259   HD22  ASN  34          HD22      ASN  34 -11.036   9.192   9.030
  260    H    GLN  35           HN       GLN  35 -10.498   5.114   6.121
  261    HA   GLN  35           HA       GLN  35  -8.228   6.912   6.192
  262    HB2  GLN  35           HB2      GLN  35  -9.063   6.824   8.512
  263    HB3  GLN  35           HB1      GLN  35  -8.875   5.070   8.496
  264    HG2  GLN  35           HG2      GLN  35  -6.451   5.407   8.035
  265    HG3  GLN  35           HG1      GLN  35  -6.708   7.138   8.261
  266   HE21  GLN  35          HE21      GLN  35  -5.026   5.313   9.765
  267   HE22  GLN  35          HE22      GLN  35  -5.557   5.407  11.413
  268    H    LEU  36           HN       LEU  36  -6.408   6.054   5.527
  269    HA   LEU  36           HA       LEU  36  -6.203   3.139   5.250
  270    HB2  LEU  36           HB2      LEU  36  -6.302   4.538   3.126
  271    HB3  LEU  36           HB1      LEU  36  -4.770   5.238   3.607
  272    HG   LEU  36           HG       LEU  36  -4.508   3.498   1.880
  273   HD11  LEU  36          HD11      LEU  36  -2.664   3.897   3.412
  274   HD12  LEU  36          HD12      LEU  36  -2.745   2.203   2.926
  275   HD13  LEU  36          HD13      LEU  36  -3.315   2.691   4.522
  276   HD21  LEU  36          HD21      LEU  36  -6.388   2.083   2.486
  277   HD22  LEU  36          HD22      LEU  36  -5.574   1.616   3.978
  278   HD23  LEU  36          HD23      LEU  36  -4.893   1.152   2.419
  279    H    LYS  37           HN       LYS  37  -4.816   2.345   6.700
  280    HA   LYS  37           HA       LYS  37  -2.402   3.946   7.384
  281    HB2  LYS  37           HB2      LYS  37  -2.544   2.950   9.678
  282    HB3  LYS  37           HB1      LYS  37  -3.859   4.062   9.315
  283    HG2  LYS  37           HG2      LYS  37  -5.415   2.308   9.092
  284    HG3  LYS  37           HG1      LYS  37  -4.143   1.088   9.033
  285    HD2  LYS  37           HD2      LYS  37  -3.543   1.786  11.386
  286    HD3  LYS  37           HD1      LYS  37  -5.042   2.718  11.396
  287    HE2  LYS  37           HE2      LYS  37  -6.333   0.720  10.989
  288    HE3  LYS  37           HE1      LYS  37  -4.863  -0.239  10.839
  289    HZ1  LYS  37           HZ1      LYS  37  -5.744   1.170  13.294
  290    HZ2  LYS  37           HZ2      LYS  37  -4.368   0.194  13.147
  291    HZ3  LYS  37           HZ3      LYS  37  -5.911  -0.488  13.004
  292    H    ALA  38           HN       ALA  38  -0.945   2.797   6.236
  293    HA   ALA  38           HA       ALA  38  -0.924  -0.133   6.532
  294    HB1  ALA  38           HB1      ALA  38   0.120   1.492   4.216
  295    HB2  ALA  38           HB2      ALA  38  -1.413   0.621   4.243
  296    HB3  ALA  38           HB3      ALA  38   0.108  -0.266   4.343
  297    H    THR  39           HN       THR  39   0.724  -0.904   7.663
  298    HA   THR  39           HA       THR  39   2.906   0.940   8.282
  299    HB   THR  39           HB       THR  39   3.399  -0.568  10.170
  300    HG1  THR  39           HG1      THR  39   2.615  -2.506   9.244
  301   HG21  THR  39          HG21      THR  39   1.852   1.285  10.517
  302   HG22  THR  39          HG22      THR  39   1.367  -0.113  11.478
  303   HG23  THR  39          HG23      THR  39   0.505   0.277   9.990
  304    H    SER  40           HN       SER  40   5.029   0.399   8.100
  305    HA   SER  40           HA       SER  40   5.630  -1.852   6.308
  306    HB2  SER  40           HB2      SER  40   7.686  -0.484   5.784
  307    HB3  SER  40           HB1      SER  40   6.151   0.210   5.251
  308    HG   SER  40           HG       SER  40   7.182   0.868   7.782
  309    H    SER  41           HN       SER  41   6.607  -3.505   7.237
  310    HA   SER  41           HA       SER  41   8.073  -3.038   9.708
  311    HB2  SER  41           HB2      SER  41   6.360  -4.867   9.591
  312    HB3  SER  41           HB1      SER  41   7.388  -5.689   8.424
  313    HG   SER  41           HG       SER  41   7.535  -5.695  11.099
  314    H    ASN  42           HN       ASN  42   9.846  -5.147   9.622
  315    HA   ASN  42           HA       ASN  42  11.963  -5.683   9.002
  316    HB2  ASN  42           HB2      ASN  42  10.925  -5.058   6.513
  317    HB3  ASN  42           HB1      ASN  42  12.314  -3.988   6.653
  318   HD21  ASN  42          HD21      ASN  42  12.071  -7.142   8.171
  319   HD22  ASN  42          HD22      ASN  42  13.309  -7.895   7.216
  320    H    ALA  43           HN       ALA  43  10.910  -3.151  10.302
  321    HA   ALA  43           HA       ALA  43  11.790  -1.444  11.499
  322    HB1  ALA  43           HB1      ALA  43  13.212  -3.259  12.317
  323    HB2  ALA  43           HB2      ALA  43  14.058  -1.713  12.309
  324    HB3  ALA  43           HB3      ALA  43  14.388  -2.904  11.052
  325    H    GLY  44           HN       GLY  44  11.593  -1.019   8.620
  326    HA2  GLY  44           HA2      GLY  44  11.900   1.204   7.749
  327    HA3  GLY  44           HA1      GLY  44  13.462   1.254   8.557
  328    H    TYR  45           HN       TYR  45  13.849  -1.623   7.496
  329    HA   TYR  45           HA       TYR  45  15.414  -1.005   5.266
  330    HB2  TYR  45           HB2      TYR  45  14.270  -3.564   6.333
  331    HB3  TYR  45           HB1      TYR  45  15.104  -3.555   4.781
  332    HD1  TYR  45           HD1      TYR  45  15.530  -2.682   8.371
  333    HD2  TYR  45           HD2      TYR  45  17.470  -3.656   4.708
  334    HE1  TYR  45           HE1      TYR  45  17.675  -2.849   9.550
  335    HE2  TYR  45           HE2      TYR  45  19.613  -3.827   5.885
  336    HH   TYR  45           HH       TYR  45  20.664  -3.014   7.923
  337    H    GLY  46           HN       GLY  46  15.093  -1.133   3.083
  338    HA2  GLY  46           HA2      GLY  46  12.394  -0.510   2.307
  339    HA3  GLY  46           HA1      GLY  46  13.808  -0.423   1.280
  340    H    ILE  47           HN       ILE  47  11.318  -1.396   0.555
  341    HA   ILE  47           HA       ILE  47  10.829  -4.118   0.705
  342    HB   ILE  47           HB       ILE  47  10.399  -2.257  -1.593
  343   HG12  ILE  47          HG12      ILE  47   8.369  -3.082   0.476
  344   HG13  ILE  47          HG11      ILE  47   9.376  -1.646   0.657
  345   HG21  ILE  47          HG21      ILE  47  10.300  -4.645  -2.184
  346   HG22  ILE  47          HG22      ILE  47   8.778  -3.781  -2.442
  347   HG23  ILE  47          HG23      ILE  47   8.968  -4.826  -1.039
  348   HD11  ILE  47          HD11      ILE  47   8.445  -0.716  -1.374
  349   HD12  ILE  47          HD12      ILE  47   7.174  -1.104  -0.214
  350   HD13  ILE  47          HD13      ILE  47   7.456  -2.162  -1.597
  351    H    SER  48           HN       SER  48  12.592  -2.302  -1.757
  352    HA   SER  48           HA       SER  48  13.421  -4.863  -2.898
  353    HB2  SER  48           HB2      SER  48  11.809  -3.615  -4.280
  354    HB3  SER  48           HB1      SER  48  12.922  -2.245  -4.324
  355    HG   SER  48           HG       SER  48  12.887  -4.473  -5.853
  356    H    TYR  49           HN       TYR  49  15.287  -4.426  -4.470
  357    HA   TYR  49           HA       TYR  49  17.328  -2.834  -3.086
  358    HB2  TYR  49           HB2      TYR  49  18.906  -4.581  -3.513
  359    HB3  TYR  49           HB1      TYR  49  17.452  -5.335  -2.863
  360    HD1  TYR  49           HD1      TYR  49  15.956  -6.656  -4.277
  361    HD2  TYR  49           HD2      TYR  49  19.607  -5.097  -5.869
  362    HE1  TYR  49           HE1      TYR  49  15.788  -8.188  -6.182
  363    HE2  TYR  49           HE2      TYR  49  19.427  -6.635  -7.764
  364    HH   TYR  49           HH       TYR  49  18.362  -8.757  -8.324
  365    H    GLU  50           HN       GLU  50  15.388  -2.920  -5.620
  366    HA   GLU  50           HA       GLU  50  17.303  -1.560  -7.409
  367    HB2  GLU  50           HB2      GLU  50  14.806  -2.973  -8.334
  368    HB3  GLU  50           HB1      GLU  50  16.124  -2.361  -9.319
  369    HG2  GLU  50           HG2      GLU  50  17.583  -4.105  -8.487
  370    HG3  GLU  50           HG1      GLU  50  16.289  -4.700  -7.436
  371    H    ASP  51           HN       ASP  51  16.080  -0.056  -8.926
  372    HA   ASP  51           HA       ASP  51  14.167   1.487  -7.371
  373    HB2  ASP  51           HB2      ASP  51  15.983   2.704  -8.475
  374    HB3  ASP  51           HB1      ASP  51  15.478   2.063 -10.041
  375    H    LYS  52           HN       LYS  52  12.224   0.369  -7.463
  376    HA   LYS  52           HA       LYS  52  11.202  -0.262 -10.136
  377    HB2  LYS  52           HB2      LYS  52   9.631  -0.855  -7.680
  378    HB3  LYS  52           HB1      LYS  52   9.741  -1.755  -9.181
  379    HG2  LYS  52           HG2      LYS  52  11.833  -1.651  -7.031
  380    HG3  LYS  52           HG1      LYS  52  10.710  -2.968  -7.342
  381    HD2  LYS  52           HD2      LYS  52  12.810  -1.974  -9.267
  382    HD3  LYS  52           HD1      LYS  52  12.971  -3.394  -8.233
  383    HE2  LYS  52           HE2      LYS  52  10.988  -4.374  -9.354
  384    HE3  LYS  52           HE1      LYS  52  10.966  -2.993 -10.448
  385    HZ1  LYS  52           HZ1      LYS  52  13.290  -4.825 -10.143
  386    HZ2  LYS  52           HZ2      LYS  52  13.086  -3.610 -11.306
  387    HZ3  LYS  52           HZ3      LYS  52  12.106  -4.984 -11.346
  388    H    ASN  53           HN       ASN  53   8.971   0.289 -10.594
  389    HA   ASN  53           HA       ASN  53   8.452   3.038  -9.703
  390    HB2  ASN  53           HB2      ASN  53   6.951   3.029 -11.824
  391    HB3  ASN  53           HB1      ASN  53   8.701   3.119 -12.020
  392   HD21  ASN  53          HD21      ASN  53   5.890   1.077 -12.287
  393   HD22  ASN  53          HD22      ASN  53   6.623  -0.119 -13.304
  394    H    TRP  54           HN       TRP  54   6.939   3.281  -8.246
  395    HA   TRP  54           HA       TRP  54   4.955   1.137  -7.951
  396    HB2  TRP  54           HB2      TRP  54   6.890   2.264  -6.194
  397    HB3  TRP  54           HB1      TRP  54   5.272   2.606  -5.568
  398    HD1  TRP  54           HD1      TRP  54   7.673  -0.260  -6.148
  399    HE1  TRP  54           HE1      TRP  54   6.632  -2.398  -5.124
  400    HE3  TRP  54           HE3      TRP  54   3.124   1.609  -5.150
  401    HZ2  TRP  54           HZ2      TRP  54   4.063  -3.139  -4.031
  402    HZ3  TRP  54           HZ3      TRP  54   1.424   0.216  -4.163
  403    HH2  TRP  54           HH2      TRP  54   1.871  -2.122  -3.581
  404    H    GLY  55           HN       GLY  55   2.842   1.721  -6.884
  405    HA2  GLY  55           HA2      GLY  55   2.312   4.460  -6.352
  406    HA3  GLY  55           HA1      GLY  55   1.643   3.976  -7.884
  407    H    ILE  56           HN       ILE  56   0.134   4.997  -5.894
  408    HA   ILE  56           HA       ILE  56  -1.504   2.686  -5.053
  409    HB   ILE  56           HB       ILE  56  -1.103   5.398  -3.816
  410   HG12  ILE  56          HG12      ILE  56  -0.899   3.977  -1.757
  411   HG13  ILE  56          HG11      ILE  56  -0.979   2.559  -2.805
  412   HG21  ILE  56          HG21      ILE  56  -3.512   5.116  -3.966
  413   HG22  ILE  56          HG22      ILE  56  -2.972   4.960  -2.294
  414   HG23  ILE  56          HG23      ILE  56  -3.385   3.520  -3.225
  415   HD11  ILE  56          HD11      ILE  56   1.304   3.130  -2.161
  416   HD12  ILE  56          HD12      ILE  56   1.123   4.712  -2.918
  417   HD13  ILE  56          HD13      ILE  56   1.065   3.251  -3.904
  418    H    PHE  57           HN       PHE  57  -3.540   2.523  -5.790
  419    HA   PHE  57           HA       PHE  57  -4.676   4.817  -7.263
  420    HB2  PHE  57           HB2      PHE  57  -5.087   1.872  -7.825
  421    HB3  PHE  57           HB1      PHE  57  -5.841   3.195  -8.699
  422    HD1  PHE  57           HD1      PHE  57  -4.629   4.457 -10.325
  423    HD2  PHE  57           HD2      PHE  57  -2.720   1.370  -8.106
  424    HE1  PHE  57           HE1      PHE  57  -2.745   4.491 -11.904
  425    HE2  PHE  57           HE2      PHE  57  -0.830   1.401  -9.682
  426    HZ   PHE  57           HZ       PHE  57  -0.844   2.962 -11.584
  427    H    VAL  58           HN       VAL  58  -6.773   5.386  -6.802
  428    HA   VAL  58           HA       VAL  58  -8.395   3.466  -5.283
  429    HB   VAL  58           HB       VAL  58  -7.584   5.191  -3.688
  430   HG11  VAL  58          HG11      VAL  58  -8.460   7.472  -3.816
  431   HG12  VAL  58          HG12      VAL  58  -9.161   7.109  -5.393
  432   HG13  VAL  58          HG13      VAL  58  -7.412   7.095  -5.182
  433   HG21  VAL  58          HG21      VAL  58  -9.681   4.058  -3.268
  434   HG22  VAL  58          HG22      VAL  58 -10.543   5.240  -4.253
  435   HG23  VAL  58          HG23      VAL  58  -9.783   5.737  -2.741
  436    H    ASN  59           HN       ASN  59 -10.282   3.086  -6.233
  437    HA   ASN  59           HA       ASN  59 -11.937   3.126  -7.801
  438    HB2  ASN  59           HB2      ASN  59 -11.666   6.113  -7.405
  439    HB3  ASN  59           HB1      ASN  59 -12.940   5.363  -8.359
  440   HD21  ASN  59          HD21      ASN  59 -14.573   4.238  -7.327
  441   HD22  ASN  59          HD22      ASN  59 -14.856   4.375  -5.626
  442    H    GLY  60           HN       GLY  60  -9.107   3.185  -8.641
  443    HA2  GLY  60           HA2      GLY  60  -8.125   2.929 -10.715
  444    HA3  GLY  60           HA1      GLY  60  -9.616   3.503 -11.452
  445    H    GLU  61           HN       GLU  61  -7.796   5.301  -9.023
  446    HA   GLU  61           HA       GLU  61  -6.583   6.954 -11.115
  447    HB2  GLU  61           HB2      GLU  61  -7.334   9.004 -10.238
  448    HB3  GLU  61           HB1      GLU  61  -8.769   7.984 -10.246
  449    HG2  GLU  61           HG2      GLU  61  -8.405   7.514  -7.854
  450    HG3  GLU  61           HG1      GLU  61  -7.035   8.624  -7.870
  451    H    LYS  62           HN       LYS  62  -4.729   8.143 -10.372
  452    HA   LYS  62           HA       LYS  62  -3.285   6.653  -8.366
  453    HB2  LYS  62           HB2      LYS  62  -2.487   8.950 -10.145
  454    HB3  LYS  62           HB1      LYS  62  -1.387   8.145  -9.027
  455    HG2  LYS  62           HG2      LYS  62  -1.759   6.029 -10.224
  456    HG3  LYS  62           HG1      LYS  62  -2.797   6.883 -11.369
  457    HD2  LYS  62           HD2      LYS  62   0.129   7.425 -10.873
  458    HD3  LYS  62           HD1      LYS  62  -0.551   6.590 -12.271
  459    HE2  LYS  62           HE2      LYS  62  -1.043   9.460 -11.490
  460    HE3  LYS  62           HE1      LYS  62  -0.022   8.899 -12.809
  461    HZ1  LYS  62           HZ1      LYS  62  -2.194   9.612 -13.603
  462    HZ2  LYS  62           HZ2      LYS  62  -2.960   8.478 -12.612
  463    HZ3  LYS  62           HZ3      LYS  62  -1.973   7.960 -13.884
  464    H    VAL  63           HN       VAL  63  -2.918   7.209  -6.355
  465    HA   VAL  63           HA       VAL  63  -3.717   9.879  -5.435
  466    HB   VAL  63           HB       VAL  63  -3.237   7.418  -3.821
  467   HG11  VAL  63          HG11      VAL  63  -4.409  10.073  -3.042
  468   HG12  VAL  63          HG12      VAL  63  -2.848   9.428  -2.536
  469   HG13  VAL  63          HG13      VAL  63  -4.337   8.649  -2.006
  470   HG21  VAL  63          HG21      VAL  63  -5.826   8.669  -4.680
  471   HG22  VAL  63          HG22      VAL  63  -5.666   7.307  -3.569
  472   HG23  VAL  63          HG23      VAL  63  -5.168   7.137  -5.253
  473    H    TYR  64           HN       TYR  64  -1.227   7.422  -4.965
  474    HA   TYR  64           HA       TYR  64   0.743   9.518  -4.484
  475    HB2  TYR  64           HB2      TYR  64  -0.136   8.872  -2.276
  476    HB3  TYR  64           HB1      TYR  64   0.227   7.184  -2.621
  477    HD1  TYR  64           HD1      TYR  64   1.696  10.480  -1.859
  478    HD2  TYR  64           HD2      TYR  64   2.431   6.329  -2.388
  479    HE1  TYR  64           HE1      TYR  64   3.927  10.753  -0.864
  480    HE2  TYR  64           HE2      TYR  64   4.647   6.587  -1.401
  481    HH   TYR  64           HH       TYR  64   5.606   9.275   0.350
  482    H    THR  65           HN       THR  65   2.877   8.877  -4.997
  483    HA   THR  65           HA       THR  65   3.151   6.188  -6.164
  484    HB   THR  65           HB       THR  65   2.813   8.124  -7.864
  485    HG1  THR  65           HG1      THR  65   3.961   5.896  -8.115
  486   HG21  THR  65          HG21      THR  65   4.357   9.718  -6.840
  487   HG22  THR  65          HG22      THR  65   4.839   9.334  -8.491
  488   HG23  THR  65          HG23      THR  65   5.701   8.608  -7.128
  489    H    PHE  66           HN       PHE  66   5.476   5.466  -6.231
  490    HA   PHE  66           HA       PHE  66   7.472   7.058  -4.984
  491    HB2  PHE  66           HB2      PHE  66   7.791   5.814  -2.921
  492    HB3  PHE  66           HB1      PHE  66   6.195   6.547  -2.976
  493    HD1  PHE  66           HD1      PHE  66   8.084   3.434  -2.932
  494    HD2  PHE  66           HD2      PHE  66   4.195   5.151  -3.164
  495    HE1  PHE  66           HE1      PHE  66   7.095   1.262  -2.345
  496    HE2  PHE  66           HE2      PHE  66   3.199   2.974  -2.578
  497    HZ   PHE  66           HZ       PHE  66   4.651   1.030  -2.166
  498    H    ASN  67           HN       ASN  67   9.233   5.391  -4.028
  499    HA   ASN  67           HA       ASN  67   9.821   3.546  -6.246
  500    HB2  ASN  67           HB2      ASN  67  11.682   5.244  -4.573
  501    HB3  ASN  67           HB1      ASN  67  12.209   4.103  -5.812
  502   HD21  ASN  67          HD21      ASN  67  11.992   4.669  -7.962
  503   HD22  ASN  67          HD22      ASN  67  11.538   6.262  -8.471
  504    H    GLU  68           HN       GLU  68  10.704   1.552  -5.717
  505    HA   GLU  68           HA       GLU  68   9.692   0.544  -3.210
  506    HB2  GLU  68           HB2      GLU  68   9.602  -0.448  -5.618
  507    HB3  GLU  68           HB1      GLU  68  11.198  -1.072  -5.252
  508    HG2  GLU  68           HG2      GLU  68  10.296  -2.292  -3.370
  509    HG3  GLU  68           HG1      GLU  68   8.711  -1.606  -3.690
  510    H    LYS  69           HN       LYS  69  12.702   1.793  -4.019
  511    HA   LYS  69           HA       LYS  69  14.115  -0.068  -2.231
  512    HB2  LYS  69           HB2      LYS  69  16.186   0.833  -3.172
  513    HB3  LYS  69           HB1      LYS  69  15.129   0.214  -4.435
  514    HG2  LYS  69           HG2      LYS  69  14.356   2.562  -4.813
  515    HG3  LYS  69           HG1      LYS  69  15.624   3.087  -3.704
  516    HD2  LYS  69           HD2      LYS  69  16.106   1.474  -6.209
  517    HD3  LYS  69           HD1      LYS  69  16.296   3.224  -6.093
  518    HE2  LYS  69           HE2      LYS  69  17.986   2.876  -4.317
  519    HE3  LYS  69           HE1      LYS  69  17.831   1.135  -4.549
  520    HZ1  LYS  69           HZ1      LYS  69  19.724   1.985  -5.756
  521    HZ2  LYS  69           HZ2      LYS  69  18.754   3.094  -6.582
  522    HZ3  LYS  69           HZ3      LYS  69  18.558   1.439  -6.851
  523    H    SER  70           HN       SER  70  12.415   2.582  -1.829
  524    HA   SER  70           HA       SER  70  14.296   4.267  -0.445
  525    HB2  SER  70           HB2      SER  70  12.217   5.590   0.086
  526    HB3  SER  70           HB1      SER  70  12.486   5.326  -1.639
  527    HG   SER  70           HG       SER  70  10.729   4.164  -1.733
  528    H    THR  71           HN       THR  71  12.789   5.093   1.785
  529    HA   THR  71           HA       THR  71  12.901   2.728   3.476
  530    HB   THR  71           HB       THR  71  12.514   4.440   5.331
  531    HG1  THR  71           HG1      THR  71  13.250   6.341   3.348
  532   HG21  THR  71          HG21      THR  71  14.830   5.272   5.289
  533   HG22  THR  71          HG22      THR  71  14.971   4.759   3.608
  534   HG23  THR  71          HG23      THR  71  14.735   3.560   4.879
  535    H    VAL  72           HN       VAL  72  11.088   1.624   3.522
  536    HA   VAL  72           HA       VAL  72   8.741   2.486   2.296
  537    HB   VAL  72           HB       VAL  72   8.719   0.208   4.269
  538   HG11  VAL  72          HG11      VAL  72   7.507   0.520   1.527
  539   HG12  VAL  72          HG12      VAL  72   6.660   0.734   3.064
  540   HG13  VAL  72          HG13      VAL  72   7.304  -0.852   2.623
  541   HG21  VAL  72          HG21      VAL  72  10.037   0.198   1.545
  542   HG22  VAL  72          HG22      VAL  72   9.664  -1.238   2.505
  543   HG23  VAL  72          HG23      VAL  72  10.818  -0.060   3.111
  544    H    GLY  73           HN       GLY  73   9.866   3.123   5.423
  545    HA2  GLY  73           HA2      GLY  73   7.215   3.316   6.629
  546    HA3  GLY  73           HA1      GLY  73   8.751   3.694   7.416
  547    H    ASN  74           HN       ASN  74   9.703   5.494   5.381
  548    HA   ASN  74           HA       ASN  74   8.279   7.869   6.100
  549    HB2  ASN  74           HB2      ASN  74  10.429   7.303   4.046
  550    HB3  ASN  74           HB1      ASN  74   9.713   8.897   4.243
  551   HD21  ASN  74          HD21      ASN  74  10.197   6.806   6.982
  552   HD22  ASN  74          HD22      ASN  74  11.502   7.703   7.687
  553    H    ILE  75           HN       ILE  75   8.348   5.641   3.460
  554    HA   ILE  75           HA       ILE  75   6.780   7.113   1.617
  555    HB   ILE  75           HB       ILE  75   7.364   4.164   1.824
  556   HG12  ILE  75          HG12      ILE  75   9.366   5.522   1.530
  557   HG13  ILE  75          HG11      ILE  75   9.015   4.623   0.053
  558   HG21  ILE  75          HG21      ILE  75   6.328   5.671  -0.551
  559   HG22  ILE  75          HG22      ILE  75   5.328   4.686   0.517
  560   HG23  ILE  75          HG23      ILE  75   6.617   3.937  -0.428
  561   HD11  ILE  75          HD11      ILE  75   9.711   6.846  -0.501
  562   HD12  ILE  75          HD12      ILE  75   8.488   7.541   0.558
  563   HD13  ILE  75          HD13      ILE  75   8.002   6.664  -0.893
  564    H    SER  76           HN       SER  76   5.974   4.184   3.502
  565    HA   SER  76           HA       SER  76   3.383   4.009   2.534
  566    HB2  SER  76           HB2      SER  76   4.367   2.943   5.169
  567    HB3  SER  76           HB1      SER  76   2.967   2.370   4.260
  568    HG   SER  76           HG       SER  76   5.706   2.072   3.704
  569    H    ASN  77           HN       ASN  77   4.524   5.423   5.541
  570    HA   ASN  77           HA       ASN  77   1.849   6.032   6.297
  571    HB2  ASN  77           HB2      ASN  77   4.464   6.598   7.562
  572    HB3  ASN  77           HB1      ASN  77   3.066   7.562   8.057
  573   HD21  ASN  77          HD21      ASN  77   1.071   6.295   8.593
  574   HD22  ASN  77          HD22      ASN  77   1.264   4.769   9.400
  575    H    ASP  78           HN       ASP  78   4.062   7.738   4.252
  576    HA   ASP  78           HA       ASP  78   2.810  10.252   4.288
  577    HB2  ASP  78           HB2      ASP  78   3.926   8.625   2.021
  578    HB3  ASP  78           HB1      ASP  78   3.069  10.131   1.708
  579    H    ILE  79           HN       ILE  79   2.005   7.330   2.520
  580    HA   ILE  79           HA       ILE  79  -0.422   8.008   1.371
  581    HB   ILE  79           HB       ILE  79   0.370   5.348   2.574
  582   HG12  ILE  79          HG12      ILE  79   0.724   6.248  -0.286
  583   HG13  ILE  79          HG11      ILE  79   2.004   6.329   0.927
  584   HG21  ILE  79          HG21      ILE  79  -1.160   4.369   0.935
  585   HG22  ILE  79          HG22      ILE  79  -1.652   5.987   0.437
  586   HG23  ILE  79          HG23      ILE  79  -1.990   5.426   2.076
  587   HD11  ILE  79          HD11      ILE  79   2.219   4.345  -0.458
  588   HD12  ILE  79          HD12      ILE  79   0.597   3.831   0.014
  589   HD13  ILE  79          HD13      ILE  79   1.882   3.913   1.218
  590    H    ASN  80           HN       ASN  80   0.373   7.194   4.660
  591    HA   ASN  80           HA       ASN  80  -2.362   6.535   5.266
  592    HB2  ASN  80           HB2      ASN  80   0.004   6.569   7.141
  593    HB3  ASN  80           HB1      ASN  80  -1.552   5.805   7.432
  594   HD21  ASN  80          HD21      ASN  80   1.118   4.670   7.426
  595   HD22  ASN  80          HD22      ASN  80   1.124   3.409   6.232
  596    H    LYS  81           HN       LYS  81  -0.031   9.042   6.093
  597    HA   LYS  81           HA       LYS  81  -1.547  10.413   7.986
  598    HB2  LYS  81           HB2      LYS  81   0.371  11.451   5.894
  599    HB3  LYS  81           HB1      LYS  81  -0.321  12.464   7.158
  600    HG2  LYS  81           HG2      LYS  81   0.753  11.174   8.866
  601    HG3  LYS  81           HG1      LYS  81   1.307   9.987   7.682
  602    HD2  LYS  81           HD2      LYS  81   2.126  12.894   7.702
  603    HD3  LYS  81           HD1      LYS  81   3.076  11.582   8.403
  604    HE2  LYS  81           HE2      LYS  81   3.097  10.491   6.171
  605    HE3  LYS  81           HE1      LYS  81   2.298  11.915   5.510
  606    HZ1  LYS  81           HZ1      LYS  81   4.198  13.245   6.155
  607    HZ2  LYS  81           HZ2      LYS  81   4.686  11.966   5.156
  608    HZ3  LYS  81           HZ3      LYS  81   4.956  11.888   6.824
  609    H    LEU  82           HN       LEU  82  -1.851  10.175   4.553
  610    HA   LEU  82           HA       LEU  82  -3.521  12.339   3.981
  611    HB2  LEU  82           HB2      LEU  82  -3.837   9.629   2.716
  612    HB3  LEU  82           HB1      LEU  82  -4.071  11.209   1.984
  613    HG   LEU  82           HG       LEU  82  -1.426   9.921   2.724
  614   HD11  LEU  82          HD11      LEU  82  -2.660  10.653   0.057
  615   HD12  LEU  82          HD12      LEU  82  -2.463   9.025   0.706
  616   HD13  LEU  82          HD13      LEU  82  -1.043   9.992   0.302
  617   HD21  LEU  82          HD21      LEU  82  -1.374  12.348   3.126
  618   HD22  LEU  82          HD22      LEU  82  -1.978  12.640   1.494
  619   HD23  LEU  82          HD23      LEU  82  -0.391  11.908   1.729
  620    H    ASN  83           HN       ASN  83  -4.134   9.403   5.699
  621    HA   ASN  83           HA       ASN  83  -6.046   8.144   6.072
  622    HB2  ASN  83           HB2      ASN  83  -6.793  10.916   6.993
  623    HB3  ASN  83           HB1      ASN  83  -7.742   9.480   7.366
  624   HD21  ASN  83          HD21      ASN  83  -5.187   7.857   7.540
  625   HD22  ASN  83          HD22      ASN  83  -4.531   8.256   9.092
  626    H    ILE  84           HN       ILE  84  -6.425   7.653   3.899
  627    HA   ILE  84           HA       ILE  84  -7.943   9.336   2.179
  628    HB   ILE  84           HB       ILE  84  -7.327   6.412   1.822
  629   HG12  ILE  84          HG12      ILE  84  -5.700   8.859   1.122
  630   HG13  ILE  84          HG11      ILE  84  -5.298   7.639   2.342
  631   HG21  ILE  84          HG21      ILE  84  -7.829   8.596  -0.205
  632   HG22  ILE  84          HG22      ILE  84  -8.992   7.360   0.266
  633   HG23  ILE  84          HG23      ILE  84  -7.502   6.900  -0.557
  634   HD11  ILE  84          HD11      ILE  84  -5.542   7.110  -0.617
  635   HD12  ILE  84          HD12      ILE  84  -5.023   5.965   0.622
  636   HD13  ILE  84          HD13      ILE  84  -4.025   7.370   0.245
  637    H    LYS  85           HN       LYS  85  -9.998   9.401   1.801
  638    HA   LYS  85           HA       LYS  85 -11.846   7.756   3.300
  639    HB2  LYS  85           HB2      LYS  85 -13.551   9.266   2.345
  640    HB3  LYS  85           HB1      LYS  85 -12.227  10.155   3.095
  641    HG2  LYS  85           HG2      LYS  85 -11.310   9.985   0.536
  642    HG3  LYS  85           HG1      LYS  85 -13.059  10.063   0.279
  643    HD2  LYS  85           HD2      LYS  85 -12.158  12.291   0.251
  644    HD3  LYS  85           HD1      LYS  85 -13.127  12.088   1.710
  645    HE2  LYS  85           HE2      LYS  85 -11.192  11.868   3.071
  646    HE3  LYS  85           HE1      LYS  85 -10.133  11.707   1.669
  647    HZ1  LYS  85           HZ1      LYS  85 -10.629  13.996   1.084
  648    HZ2  LYS  85           HZ2      LYS  85  -9.997  13.912   2.651
  649    HZ3  LYS  85           HZ3      LYS  85 -11.658  14.147   2.418
  650    H    GLY  86           HN       GLY  86 -10.221   6.483   1.292
  651    HA2  GLY  86           HA2      GLY  86 -11.727   6.122  -1.115
  652    HA3  GLY  86           HA1      GLY  86 -10.267   5.262  -0.651
  653    HA   PRO  87           HA       PRO  87 -14.135   2.624   0.319
  654    HB2  PRO  87           HB2      PRO  87 -15.172   1.840  -2.010
  655    HB3  PRO  87           HB1      PRO  87 -15.625   3.406  -1.312
  656    HG2  PRO  87           HG2      PRO  87 -13.557   2.801  -3.412
  657    HG3  PRO  87           HG1      PRO  87 -14.855   4.019  -3.458
  658    HD2  PRO  87           HD2      PRO  87 -12.309   4.634  -2.767
  659    HD3  PRO  87           HD1      PRO  87 -13.711   5.462  -2.051
  660    H    TYR  88           HN       TYR  88 -12.078   2.282  -2.552
  661    HA   TYR  88           HA       TYR  88 -10.917  -0.079  -1.378
  662    HB2  TYR  88           HB2      TYR  88 -10.985  -1.300  -3.573
  663    HB3  TYR  88           HB1      TYR  88 -12.538  -1.145  -2.752
  664    HD1  TYR  88           HD1      TYR  88 -14.279   0.327  -3.684
  665    HD2  TYR  88           HD2      TYR  88 -10.563  -0.218  -5.683
  666    HE1  TYR  88           HE1      TYR  88 -15.249   1.274  -5.737
  667    HE2  TYR  88           HE2      TYR  88 -11.521   0.731  -7.737
  668    HH   TYR  88           HH       TYR  88 -13.708   1.053  -8.768
  669    H    ILE  89           HN       ILE  89  -8.813   0.010  -1.476
  670    HA   ILE  89           HA       ILE  89  -7.610   1.916  -3.360
  671    HB   ILE  89           HB       ILE  89  -6.776   1.294  -0.523
  672   HG12  ILE  89          HG12      ILE  89  -7.858   3.809  -1.810
  673   HG13  ILE  89          HG11      ILE  89  -8.757   2.739  -0.735
  674   HG21  ILE  89          HG21      ILE  89  -5.057   3.015  -0.838
  675   HG22  ILE  89          HG22      ILE  89  -5.514   3.154  -2.537
  676   HG23  ILE  89          HG23      ILE  89  -4.820   1.650  -1.931
  677   HD11  ILE  89          HD11      ILE  89  -7.980   4.744   0.410
  678   HD12  ILE  89          HD12      ILE  89  -6.312   4.320   0.023
  679   HD13  ILE  89          HD13      ILE  89  -7.261   3.285   1.091
  680    H    GLU  90           HN       GLU  90  -6.088   1.191  -4.635
  681    HA   GLU  90           HA       GLU  90  -5.103  -1.545  -4.232
  682    HB2  GLU  90           HB2      GLU  90  -5.196   0.133  -6.738
  683    HB3  GLU  90           HB1      GLU  90  -4.616  -1.523  -6.634
  684    HG2  GLU  90           HG2      GLU  90  -6.843  -2.278  -6.013
  685    HG3  GLU  90           HG1      GLU  90  -7.428  -0.612  -6.055
  686    H    ILE  91           HN       ILE  91  -3.197  -1.509  -3.257
  687    HA   ILE  91           HA       ILE  91  -1.241   0.527  -4.025
  688    HB   ILE  91           HB       ILE  91  -1.094  -1.494  -1.772
  689   HG12  ILE  91          HG12      ILE  91  -2.117   1.334  -1.876
  690   HG13  ILE  91          HG11      ILE  91  -2.887  -0.090  -1.185
  691   HG21  ILE  91          HG21      ILE  91   0.577   0.938  -2.374
  692   HG22  ILE  91          HG22      ILE  91   1.100  -0.746  -2.418
  693   HG23  ILE  91          HG23      ILE  91   0.662   0.001  -0.885
  694   HD11  ILE  91          HD11      ILE  91  -0.488   1.351  -0.070
  695   HD12  ILE  91          HD12      ILE  91  -1.229  -0.096   0.618
  696   HD13  ILE  91          HD13      ILE  91  -2.138   1.413   0.557
  697    H    LYS  92           HN       LYS  92  -0.145  -0.059  -5.819
  698    HA   LYS  92           HA       LYS  92   1.190  -2.610  -5.998
  699    HB2  LYS  92           HB2      LYS  92   0.025  -3.347  -8.050
  700    HB3  LYS  92           HB1      LYS  92  -1.078  -3.265  -6.680
  701    HG2  LYS  92           HG2      LYS  92  -2.402  -2.199  -8.159
  702    HG3  LYS  92           HG1      LYS  92  -1.424  -0.801  -7.696
  703    HD2  LYS  92           HD2      LYS  92  -1.577  -0.874 -10.092
  704    HD3  LYS  92           HD1      LYS  92   0.072  -1.271  -9.616
  705    HE2  LYS  92           HE2      LYS  92  -0.625  -2.753 -11.383
  706    HE3  LYS  92           HE1      LYS  92  -0.472  -3.674  -9.885
  707    HZ1  LYS  92           HZ1      LYS  92  -2.468  -4.287 -11.062
  708    HZ2  LYS  92           HZ2      LYS  92  -3.004  -2.684 -11.078
  709    HZ3  LYS  92           HZ3      LYS  92  -2.881  -3.520  -9.612
  710    H    GLN  93           HN       GLN  93   2.647  -2.686  -7.834
  711    HA   GLN  93           HA       GLN  93   3.432  -0.019  -8.634
  712    HB2  GLN  93           HB2      GLN  93   5.212  -1.614  -9.915
  713    HB3  GLN  93           HB1      GLN  93   5.420  -0.960  -8.296
  714    HG2  GLN  93           HG2      GLN  93   4.557  -3.034  -7.347
  715    HG3  GLN  93           HG1      GLN  93   4.301  -3.677  -8.972
  716   HE21  GLN  93          HE21      GLN  93   7.051  -1.702  -8.213
  717   HE22  GLN  93          HE22      GLN  93   8.230  -2.962  -8.282
  718    H    ILE  94           HN       ILE  94   4.207   0.311 -10.876
  719    HA   ILE  94           HA       ILE  94   1.919  -0.358 -12.588
  720    HB   ILE  94           HB       ILE  94   2.715   1.830 -13.761
  721   HG12  ILE  94          HG12      ILE  94   4.082   1.961 -11.070
  722   HG13  ILE  94          HG11      ILE  94   4.801   2.190 -12.659
  723   HG21  ILE  94          HG21      ILE  94   0.599   1.591 -12.609
  724   HG22  ILE  94          HG22      ILE  94   1.325   3.152 -12.223
  725   HG23  ILE  94          HG23      ILE  94   1.395   1.832 -11.055
  726   HD11  ILE  94          HD11      ILE  94   3.611   4.290 -12.900
  727   HD12  ILE  94          HD12      ILE  94   4.598   4.273 -11.437
  728   HD13  ILE  94          HD13      ILE  94   2.853   4.045 -11.328
  Start of MODEL   22
    1    H    ASP   1           HT1      ASP   1 -15.903 -12.744   1.278
    2    HA   ASP   1           HA       ASP   1 -16.147 -11.037  -0.398
    3    HB2  ASP   1           HB2      ASP   1 -18.071 -13.348  -0.382
    4    HB3  ASP   1           HB1      ASP   1 -17.991 -12.253  -1.754
    5    H    ASN   2           HN       ASN   2 -17.325  -9.602   1.671
    6    HA   ASN   2           HA       ASN   2 -19.956  -8.858   0.621
    7    HB2  ASN   2           HB2      ASN   2 -20.315  -7.604   2.653
    8    HB3  ASN   2           HB1      ASN   2 -19.740  -9.208   3.087
    9   HD21  ASN   2          HD21      ASN   2 -17.752  -9.437   4.048
   10   HD22  ASN   2          HD22      ASN   2 -16.838  -8.098   4.650
   11    H    GLN   3           HN       GLN   3 -16.679  -7.782   0.840
   12    HA   GLN   3           HA       GLN   3 -17.334  -5.186  -0.312
   13    HB2  GLN   3           HB2      GLN   3 -14.832  -6.496   0.655
   14    HB3  GLN   3           HB1      GLN   3 -14.710  -5.182  -0.504
   15    HG2  GLN   3           HG2      GLN   3 -15.947  -5.086   2.235
   16    HG3  GLN   3           HG1      GLN   3 -14.464  -4.294   1.695
   17   HE21  GLN   3          HE21      GLN   3 -16.843  -3.108   2.862
   18   HE22  GLN   3          HE22      GLN   3 -17.423  -1.963   1.704
   19    H    LYS   4           HN       LYS   4 -17.809  -7.846  -1.543
   20    HA   LYS   4           HA       LYS   4 -15.969  -8.236  -3.664
   21    HB2  LYS   4           HB2      LYS   4 -17.422  -9.988  -2.614
   22    HB3  LYS   4           HB1      LYS   4 -18.799  -9.261  -3.427
   23    HG2  LYS   4           HG2      LYS   4 -17.748  -9.719  -5.595
   24    HG3  LYS   4           HG1      LYS   4 -16.390 -10.478  -4.760
   25    HD2  LYS   4           HD2      LYS   4 -18.133 -11.995  -3.678
   26    HD3  LYS   4           HD1      LYS   4 -19.248 -11.390  -4.903
   27    HE2  LYS   4           HE2      LYS   4 -18.220 -13.497  -5.592
   28    HE3  LYS   4           HE1      LYS   4 -17.755 -12.174  -6.661
   29    HZ1  LYS   4           HZ1      LYS   4 -16.086 -13.138  -4.402
   30    HZ2  LYS   4           HZ2      LYS   4 -15.639 -12.037  -5.611
   31    HZ3  LYS   4           HZ3      LYS   4 -15.902 -13.658  -6.004
   32    H    ALA   5           HN       ALA   5 -19.382  -7.223  -3.705
   33    HA   ALA   5           HA       ALA   5 -19.038  -6.159  -6.389
   34    HB1  ALA   5           HB1      ALA   5 -21.449  -5.847  -6.360
   35    HB2  ALA   5           HB2      ALA   5 -21.501  -6.277  -4.651
   36    HB3  ALA   5           HB3      ALA   5 -21.033  -7.483  -5.849
   37    H    LEU   6           HN       LEU   6 -18.573  -5.048  -3.304
   38    HA   LEU   6           HA       LEU   6 -19.566  -2.368  -3.816
   39    HB2  LEU   6           HB2      LEU   6 -18.236  -3.514  -1.364
   40    HB3  LEU   6           HB1      LEU   6 -18.896  -1.890  -1.496
   41    HG   LEU   6           HG       LEU   6 -20.454  -4.474  -1.624
   42   HD11  LEU   6          HD11      LEU   6 -21.462  -3.712   0.442
   43   HD12  LEU   6          HD12      LEU   6 -20.474  -2.253   0.409
   44   HD13  LEU   6          HD13      LEU   6 -19.711  -3.828   0.622
   45   HD21  LEU   6          HD21      LEU   6 -21.410  -1.626  -1.875
   46   HD22  LEU   6          HD22      LEU   6 -22.443  -3.046  -1.733
   47   HD23  LEU   6          HD23      LEU   6 -21.413  -2.845  -3.148
   48    H    GLU   7           HN       GLU   7 -16.639  -2.754  -1.937
   49    HA   GLU   7           HA       GLU   7 -15.387  -0.977  -3.892
   50    HB2  GLU   7           HB2      GLU   7 -14.904  -1.396  -0.961
   51    HB3  GLU   7           HB1      GLU   7 -13.755  -0.535  -1.972
   52    HG2  GLU   7           HG2      GLU   7 -15.102   1.090  -0.929
   53    HG3  GLU   7           HG1      GLU   7 -15.611   1.015  -2.610
   54    H    GLU   8           HN       GLU   8 -13.423  -2.766  -1.564
   55    HA   GLU   8           HA       GLU   8 -12.486  -4.841  -3.161
   56    HB2  GLU   8           HB2      GLU   8 -11.557  -2.270  -4.099
   57    HB3  GLU   8           HB1      GLU   8 -10.208  -3.291  -3.617
   58    HG2  GLU   8           HG2      GLU   8 -11.127  -5.086  -5.065
   59    HG3  GLU   8           HG1      GLU   8 -12.351  -3.945  -5.618
   60    H    GLN   9           HN       GLN   9 -12.622  -3.701  -0.299
   61    HA   GLN   9           HA       GLN   9  -9.923  -3.645   0.628
   62    HB2  GLN   9           HB2      GLN   9 -12.553  -3.860   2.077
   63    HB3  GLN   9           HB1      GLN   9 -11.014  -3.864   2.916
   64    HG2  GLN   9           HG2      GLN   9 -11.930  -1.662   2.993
   65    HG3  GLN   9           HG1      GLN   9 -10.518  -1.648   1.939
   66   HE21  GLN   9          HE21      GLN   9 -11.214   0.218   0.903
   67   HE22  GLN   9          HE22      GLN   9 -12.530   0.215  -0.215
   68    H    MET  10           HN       MET  10 -11.014  -6.113  -0.795
   69    HA   MET  10           HA       MET  10 -10.602  -8.143   1.272
   70    HB2  MET  10           HB2      MET  10 -11.546  -8.495  -1.578
   71    HB3  MET  10           HB1      MET  10 -11.507  -9.736  -0.337
   72    HG2  MET  10           HG2      MET  10 -13.148  -8.435   0.961
   73    HG3  MET  10           HG1      MET  10 -13.230  -7.273  -0.363
   74    HE1  MET  10           HE1      MET  10 -13.892  -8.068  -2.899
   75    HE2  MET  10           HE2      MET  10 -14.526  -9.674  -3.263
   76    HE3  MET  10           HE3      MET  10 -12.840  -9.480  -2.786
   77    H    ASN  11           HN       ASN  11  -9.956  -9.945  -1.130
   78    HA   ASN  11           HA       ASN  11  -7.326 -10.438  -0.615
   79    HB2  ASN  11           HB2      ASN  11  -8.727 -10.875  -3.253
   80    HB3  ASN  11           HB1      ASN  11  -7.255 -11.681  -2.729
   81   HD21  ASN  11          HD21      ASN  11  -8.183 -11.957   0.035
   82   HD22  ASN  11          HD22      ASN  11  -9.374 -13.211   0.007
   83    H    SER  12           HN       SER  12  -8.563  -7.965  -2.740
   84    HA   SER  12           HA       SER  12  -6.502  -7.470  -4.465
   85    HB2  SER  12           HB2      SER  12  -8.204  -5.447  -2.995
   86    HB3  SER  12           HB1      SER  12  -7.200  -5.080  -4.401
   87    HG   SER  12           HG       SER  12  -9.023  -5.548  -5.385
   88    H    ILE  13           HN       ILE  13  -6.726  -6.307  -1.093
   89    HA   ILE  13           HA       ILE  13  -4.036  -5.214  -1.327
   90    HB   ILE  13           HB       ILE  13  -4.345  -4.357   0.954
   91   HG12  ILE  13          HG12      ILE  13  -6.978  -4.484   1.580
   92   HG13  ILE  13          HG11      ILE  13  -6.754  -6.072   0.854
   93   HG21  ILE  13          HG21      ILE  13  -4.993  -2.974  -0.913
   94   HG22  ILE  13          HG22      ILE  13  -6.094  -2.718   0.443
   95   HG23  ILE  13          HG23      ILE  13  -6.598  -3.706  -0.931
   96   HD11  ILE  13          HD11      ILE  13  -4.936  -6.525   2.425
   97   HD12  ILE  13          HD12      ILE  13  -6.454  -6.167   3.251
   98   HD13  ILE  13          HD13      ILE  13  -5.189  -4.942   3.161
   99    H    ASN  14           HN       ASN  14  -5.589  -8.053  -0.168
  100    HA   ASN  14           HA       ASN  14  -3.715  -8.799   1.840
  101    HB2  ASN  14           HB2      ASN  14  -5.453 -10.573   0.158
  102    HB3  ASN  14           HB1      ASN  14  -4.637 -11.040   1.634
  103   HD21  ASN  14          HD21      ASN  14  -5.210  -8.642   3.084
  104   HD22  ASN  14          HD22      ASN  14  -6.902  -8.648   3.434
  105    H    SER  15           HN       SER  15  -4.139  -9.845  -1.533
  106    HA   SER  15           HA       SER  15  -1.980 -11.618  -1.626
  107    HB2  SER  15           HB2      SER  15  -3.806 -11.400  -3.347
  108    HB3  SER  15           HB1      SER  15  -3.009  -9.939  -3.927
  109    HG   SER  15           HG       SER  15  -1.834 -12.526  -3.812
  110    H    VAL  16           HN       VAL  16  -2.181  -8.165  -2.023
  111    HA   VAL  16           HA       VAL  16   0.519  -7.765  -2.827
  112    HB   VAL  16           HB       VAL  16  -1.373  -5.840  -1.451
  113   HG11  VAL  16          HG11      VAL  16   0.945  -5.115  -1.321
  114   HG12  VAL  16          HG12      VAL  16   0.044  -4.096  -2.442
  115   HG13  VAL  16          HG13      VAL  16   1.132  -5.340  -3.058
  116   HG21  VAL  16          HG21      VAL  16  -0.811  -6.231  -4.386
  117   HG22  VAL  16          HG22      VAL  16  -1.890  -5.028  -3.679
  118   HG23  VAL  16          HG23      VAL  16  -2.274  -6.744  -3.547
  119    H    ASN  17           HN       ASN  17  -1.162  -8.057   0.286
  120    HA   ASN  17           HA       ASN  17   0.953  -7.013   1.878
  121    HB2  ASN  17           HB2      ASN  17  -1.479  -8.617   2.391
  122    HB3  ASN  17           HB1      ASN  17  -0.188  -8.796   3.572
  123   HD21  ASN  17          HD21      ASN  17  -2.561  -6.678   2.216
  124   HD22  ASN  17          HD22      ASN  17  -2.412  -5.426   3.408
  125    H    ASP  18           HN       ASP  18   0.248 -10.213   0.626
  126    HA   ASP  18           HA       ASP  18   2.350 -11.592   1.943
  127    HB2  ASP  18           HB2      ASP  18   0.974 -12.226  -0.681
  128    HB3  ASP  18           HB1      ASP  18   2.009 -13.333   0.218
  129    H    LYS  19           HN       LYS  19   2.170  -9.630  -0.910
  130    HA   LYS  19           HA       LYS  19   4.625 -10.569  -2.095
  131    HB2  LYS  19           HB2      LYS  19   2.644  -9.582  -3.353
  132    HB3  LYS  19           HB1      LYS  19   3.127  -8.017  -2.717
  133    HG2  LYS  19           HG2      LYS  19   5.461  -8.797  -3.782
  134    HG3  LYS  19           HG1      LYS  19   4.337  -9.666  -4.833
  135    HD2  LYS  19           HD2      LYS  19   4.694  -7.603  -5.897
  136    HD3  LYS  19           HD1      LYS  19   3.121  -7.452  -5.112
  137    HE2  LYS  19           HE2      LYS  19   4.341  -5.429  -4.728
  138    HE3  LYS  19           HE1      LYS  19   4.259  -6.314  -3.209
  139    HZ1  LYS  19           HZ1      LYS  19   6.592  -6.354  -5.044
  140    HZ2  LYS  19           HZ2      LYS  19   6.512  -7.047  -3.506
  141    HZ3  LYS  19           HZ3      LYS  19   6.477  -5.357  -3.678
  142    H    LEU  20           HN       LEU  20   3.533  -8.013  -0.050
  143    HA   LEU  20           HA       LEU  20   5.916  -6.427  -0.255
  144    HB2  LEU  20           HB2      LEU  20   3.537  -6.294   1.585
  145    HB3  LEU  20           HB1      LEU  20   4.786  -5.061   1.472
  146    HG   LEU  20           HG       LEU  20   2.945  -5.881  -0.783
  147   HD11  LEU  20          HD11      LEU  20   2.905  -3.512   1.052
  148   HD12  LEU  20          HD12      LEU  20   1.695  -4.784   0.941
  149   HD13  LEU  20          HD13      LEU  20   1.929  -3.665  -0.401
  150   HD21  LEU  20          HD21      LEU  20   3.824  -3.852  -1.873
  151   HD22  LEU  20          HD22      LEU  20   5.068  -5.071  -1.609
  152   HD23  LEU  20          HD23      LEU  20   4.978  -3.664  -0.552
  153    H    ASN  21           HN       ASN  21   4.478  -8.604   2.127
  154    HA   ASN  21           HA       ASN  21   6.697  -8.283   3.948
  155    HB2  ASN  21           HB2      ASN  21   4.217  -9.994   3.943
  156    HB3  ASN  21           HB1      ASN  21   5.508 -10.271   5.111
  157   HD21  ASN  21          HD21      ASN  21   2.991  -8.068   4.075
  158   HD22  ASN  21          HD22      ASN  21   3.012  -7.089   5.503
  159    H    LYS  22           HN       LYS  22   8.167  -8.807   2.120
  160    HA   LYS  22           HA       LYS  22   8.342 -11.662   1.495
  161    HB2  LYS  22           HB2      LYS  22  10.156 -10.617  -0.159
  162    HB3  LYS  22           HB1      LYS  22   8.440 -10.674  -0.547
  163    HG2  LYS  22           HG2      LYS  22   9.271  -8.511  -1.116
  164    HG3  LYS  22           HG1      LYS  22   8.229  -8.345   0.291
  165    HD2  LYS  22           HD2      LYS  22  10.241  -8.283   1.732
  166    HD3  LYS  22           HD1      LYS  22  11.249  -8.364   0.282
  167    HE2  LYS  22           HE2      LYS  22   9.229  -6.199   0.858
  168    HE3  LYS  22           HE1      LYS  22  10.961  -6.044   1.149
  169    HZ1  LYS  22           HZ1      LYS  22  11.390  -6.205  -1.160
  170    HZ2  LYS  22           HZ2      LYS  22  10.109  -5.107  -1.015
  171    HZ3  LYS  22           HZ3      LYS  22   9.814  -6.691  -1.515
  172    H    GLY  23           HN       GLY  23   9.884  -9.297   3.399
  173    HA2  GLY  23           HA2      GLY  23  11.542 -10.791   4.850
  174    HA3  GLY  23           HA1      GLY  23  12.471 -10.625   3.360
  175    H    LYS  24           HN       LYS  24  12.572  -8.285   2.552
  176    HA   LYS  24           HA       LYS  24  13.456  -6.598   4.730
  177    HB2  LYS  24           HB2      LYS  24  13.341  -5.934   1.775
  178    HB3  LYS  24           HB1      LYS  24  14.233  -5.084   3.024
  179    HG2  LYS  24           HG2      LYS  24  14.799  -7.963   2.486
  180    HG3  LYS  24           HG1      LYS  24  15.486  -6.703   1.461
  181    HD2  LYS  24           HD2      LYS  24  15.761  -6.697   4.453
  182    HD3  LYS  24           HD1      LYS  24  16.921  -7.500   3.395
  183    HE2  LYS  24           HE2      LYS  24  17.215  -5.310   2.214
  184    HE3  LYS  24           HE1      LYS  24  16.221  -4.570   3.469
  185    HZ1  LYS  24           HZ1      LYS  24  18.796  -5.981   3.892
  186    HZ2  LYS  24           HZ2      LYS  24  17.840  -5.319   5.116
  187    HZ3  LYS  24           HZ3      LYS  24  18.557  -4.309   3.965
  188    H    GLY  25           HN       GLY  25  12.771  -4.120   3.398
  189    HA2  GLY  25           HA2      GLY  25  10.735  -3.204   4.891
  190    HA3  GLY  25           HA1      GLY  25  11.103  -2.555   3.322
  191    H    LYS  26           HN       LYS  26   8.695  -3.160   5.049
  192    HA   LYS  26           HA       LYS  26   7.006  -4.325   2.965
  193    HB2  LYS  26           HB2      LYS  26   5.965  -5.718   4.878
  194    HB3  LYS  26           HB1      LYS  26   7.506  -6.262   4.207
  195    HG2  LYS  26           HG2      LYS  26   8.471  -4.714   6.120
  196    HG3  LYS  26           HG1      LYS  26   6.906  -5.068   6.865
  197    HD2  LYS  26           HD2      LYS  26   7.601  -7.103   7.454
  198    HD3  LYS  26           HD1      LYS  26   8.077  -7.470   5.792
  199    HE2  LYS  26           HE2      LYS  26  10.194  -6.271   6.144
  200    HE3  LYS  26           HE1      LYS  26   9.717  -5.954   7.816
  201    HZ1  LYS  26           HZ1      LYS  26   9.730  -8.304   8.269
  202    HZ2  LYS  26           HZ2      LYS  26  11.227  -7.855   7.617
  203    HZ3  LYS  26           HZ3      LYS  26  10.093  -8.659   6.656
  204    H    LEU  27           HN       LEU  27   4.911  -3.556   3.021
  205    HA   LEU  27           HA       LEU  27   4.202  -1.841   5.266
  206    HB2  LEU  27           HB2      LEU  27   2.895  -0.393   3.767
  207    HB3  LEU  27           HB1      LEU  27   4.625  -0.327   3.474
  208    HG   LEU  27           HG       LEU  27   2.750  -1.985   1.876
  209   HD11  LEU  27          HD11      LEU  27   3.632   0.855   1.403
  210   HD12  LEU  27          HD12      LEU  27   1.980   0.288   1.663
  211   HD13  LEU  27          HD13      LEU  27   2.842  -0.148   0.189
  212   HD21  LEU  27          HD21      LEU  27   5.083  -2.609   1.636
  213   HD22  LEU  27          HD22      LEU  27   5.512  -0.934   1.301
  214   HD23  LEU  27          HD23      LEU  27   4.517  -1.832   0.159
  215    H    SER  28           HN       SER  28   2.695  -2.738   6.403
  216    HA   SER  28           HA       SER  28   1.049  -4.848   5.313
  217    HB2  SER  28           HB2      SER  28   1.142  -3.567   8.057
  218    HB3  SER  28           HB1      SER  28   0.217  -5.006   7.662
  219    HG   SER  28           HG       SER  28   2.025  -6.165   7.518
  220    H    LEU  29           HN       LEU  29  -0.638  -4.248   4.117
  221    HA   LEU  29           HA       LEU  29  -1.779  -1.604   4.322
  222    HB2  LEU  29           HB2      LEU  29  -2.756  -3.840   2.570
  223    HB3  LEU  29           HB1      LEU  29  -2.868  -2.110   2.290
  224    HG   LEU  29           HG       LEU  29  -0.257  -3.620   2.290
  225   HD11  LEU  29          HD11      LEU  29  -2.103  -2.938   0.018
  226   HD12  LEU  29          HD12      LEU  29  -1.547  -4.535   0.516
  227   HD13  LEU  29          HD13      LEU  29  -0.411  -3.385  -0.189
  228   HD21  LEU  29          HD21      LEU  29  -0.061  -1.234   2.725
  229   HD22  LEU  29          HD22      LEU  29  -1.019  -0.883   1.288
  230   HD23  LEU  29          HD23      LEU  29   0.568  -1.635   1.127
  231    H    SER  30           HN       SER  30  -3.388  -1.090   5.622
  232    HA   SER  30           HA       SER  30  -5.554  -3.036   5.816
  233    HB2  SER  30           HB2      SER  30  -4.815  -1.120   8.037
  234    HB3  SER  30           HB1      SER  30  -5.951  -2.472   8.117
  235    HG   SER  30           HG       SER  30  -3.142  -2.662   7.712
  236    H    MET  31           HN       MET  31  -7.510  -2.276   5.224
  237    HA   MET  31           HA       MET  31  -7.883   0.637   4.996
  238    HB2  MET  31           HB2      MET  31  -8.436  -1.455   2.894
  239    HB3  MET  31           HB1      MET  31  -9.144   0.151   2.848
  240    HG2  MET  31           HG2      MET  31  -6.881   1.109   2.791
  241    HG3  MET  31           HG1      MET  31  -6.219  -0.524   2.739
  242    HE1  MET  31           HE1      MET  31  -5.840   1.995   0.614
  243    HE2  MET  31           HE2      MET  31  -5.752   1.064  -0.882
  244    HE3  MET  31           HE3      MET  31  -4.910   0.498   0.560
  245    H    ASN  32           HN       ASN  32  -9.569   1.160   6.246
  246    HA   ASN  32           HA       ASN  32 -12.075  -0.215   5.751
  247    HB2  ASN  32           HB2      ASN  32 -11.179  -1.462   7.658
  248    HB3  ASN  32           HB1      ASN  32 -10.975   0.043   8.557
  249   HD21  ASN  32          HD21      ASN  32 -12.328  -0.475  10.203
  250   HD22  ASN  32          HD22      ASN  32 -14.046  -0.639  10.016
  251    H    GLY  33           HN       GLY  33 -12.891   1.646   4.844
  252    HA2  GLY  33           HA2      GLY  33 -14.205   3.521   4.926
  253    HA3  GLY  33           HA1      GLY  33 -14.190   3.371   6.676
  254    H    ASN  34           HN       ASN  34 -12.637   4.526   7.877
  255    HA   ASN  34           HA       ASN  34 -11.581   6.863   6.434
  256    HB2  ASN  34           HB2      ASN  34 -13.228   7.086   8.372
  257    HB3  ASN  34           HB1      ASN  34 -11.949   6.509   9.422
  258   HD21  ASN  34          HD21      ASN  34  -9.821   7.938   8.095
  259   HD22  ASN  34          HD22      ASN  34 -10.046   9.623   8.474
  260    H    GLN  35           HN       GLN  35 -10.630   4.001   8.043
  261    HA   GLN  35           HA       GLN  35  -8.113   5.114   8.960
  262    HB2  GLN  35           HB2      GLN  35  -7.756   3.076  10.126
  263    HB3  GLN  35           HB1      GLN  35  -9.456   3.488  10.334
  264    HG2  GLN  35           HG2      GLN  35  -9.938   1.928   8.412
  265    HG3  GLN  35           HG1      GLN  35  -8.263   1.393   8.551
  266   HE21  GLN  35          HE21      GLN  35  -7.628   0.177  10.299
  267   HE22  GLN  35          HE22      GLN  35  -8.752  -0.555  11.396
  268    H    LEU  36           HN       LEU  36  -6.346   5.115   7.828
  269    HA   LEU  36           HA       LEU  36  -5.720   2.719   6.263
  270    HB2  LEU  36           HB2      LEU  36  -6.128   4.866   4.875
  271    HB3  LEU  36           HB1      LEU  36  -4.606   5.416   5.534
  272    HG   LEU  36           HG       LEU  36  -4.413   4.428   3.241
  273   HD11  LEU  36          HD11      LEU  36  -2.955   2.869   5.362
  274   HD12  LEU  36          HD12      LEU  36  -2.477   4.446   4.739
  275   HD13  LEU  36          HD13      LEU  36  -2.482   3.040   3.672
  276   HD21  LEU  36          HD21      LEU  36  -4.901   1.773   4.547
  277   HD22  LEU  36          HD22      LEU  36  -4.746   2.146   2.830
  278   HD23  LEU  36          HD23      LEU  36  -6.171   2.667   3.724
  279    H    LYS  37           HN       LYS  37  -4.185   1.704   7.274
  280    HA   LYS  37           HA       LYS  37  -1.873   3.213   8.253
  281    HB2  LYS  37           HB2      LYS  37  -1.854   1.809  10.337
  282    HB3  LYS  37           HB1      LYS  37  -3.163   2.984  10.268
  283    HG2  LYS  37           HG2      LYS  37  -4.771   1.311   9.847
  284    HG3  LYS  37           HG1      LYS  37  -3.531   0.104   9.494
  285    HD2  LYS  37           HD2      LYS  37  -2.777   0.212  11.816
  286    HD3  LYS  37           HD1      LYS  37  -4.030   1.400  12.165
  287    HE2  LYS  37           HE2      LYS  37  -5.751  -0.229  11.616
  288    HE3  LYS  37           HE1      LYS  37  -4.513  -1.415  11.203
  289    HZ1  LYS  37           HZ1      LYS  37  -4.901  -0.213  13.890
  290    HZ2  LYS  37           HZ2      LYS  37  -3.757  -1.391  13.483
  291    HZ3  LYS  37           HZ3      LYS  37  -5.405  -1.760  13.431
  292    H    ALA  38           HN       ALA  38  -0.522   2.350   6.814
  293    HA   ALA  38           HA       ALA  38  -0.289  -0.559   6.646
  294    HB1  ALA  38           HB1      ALA  38   1.245  -0.148   4.794
  295    HB2  ALA  38           HB2      ALA  38   1.137   1.589   5.071
  296    HB3  ALA  38           HB3      ALA  38  -0.281   0.693   4.530
  297    H    THR  39           HN       THR  39   1.294  -1.614   7.704
  298    HA   THR  39           HA       THR  39   3.030   0.039   9.368
  299    HB   THR  39           HB       THR  39   2.779  -2.940   9.587
  300    HG1  THR  39           HG1      THR  39   0.965  -0.988   9.988
  301   HG21  THR  39          HG21      THR  39   4.584  -1.832  10.850
  302   HG22  THR  39          HG22      THR  39   3.357  -2.511  11.921
  303   HG23  THR  39          HG23      THR  39   3.388  -0.776  11.604
  304    H    SER  40           HN       SER  40   5.042   0.173   9.135
  305    HA   SER  40           HA       SER  40   6.296  -1.334   6.939
  306    HB2  SER  40           HB2      SER  40   7.892   0.567   6.816
  307    HB3  SER  40           HB1      SER  40   6.222   1.052   6.515
  308    HG   SER  40           HG       SER  40   6.978   1.172   9.162
  309    H    SER  41           HN       SER  41   7.680  -2.808   7.481
  310    HA   SER  41           HA       SER  41   9.011  -2.575  10.079
  311    HB2  SER  41           HB2      SER  41   8.041  -5.125   8.771
  312    HB3  SER  41           HB1      SER  41   8.779  -4.976  10.368
  313    HG   SER  41           HG       SER  41   6.995  -3.723  11.012
  314    H    ASN  42           HN       ASN  42  10.772  -4.500  10.070
  315    HA   ASN  42           HA       ASN  42  12.930  -4.869   9.538
  316    HB2  ASN  42           HB2      ASN  42  11.611  -5.256   7.121
  317    HB3  ASN  42           HB1      ASN  42  12.915  -4.141   6.722
  318   HD21  ASN  42          HD21      ASN  42  15.031  -4.814   6.886
  319   HD22  ASN  42          HD22      ASN  42  15.465  -6.479   7.113
  320    H    ALA  43           HN       ALA  43  12.172  -2.478  10.536
  321    HA   ALA  43           HA       ALA  43  12.993  -0.443  11.054
  322    HB1  ALA  43           HB1      ALA  43  15.332   0.008  10.556
  323    HB2  ALA  43           HB2      ALA  43  15.356  -1.357   9.441
  324    HB3  ALA  43           HB3      ALA  43  15.096  -1.631  11.162
  325    H    GLY  44           HN       GLY  44  11.444  -0.850   8.561
  326    HA2  GLY  44           HA2      GLY  44  10.503   0.603   7.057
  327    HA3  GLY  44           HA1      GLY  44  11.490   1.871   7.769
  328    H    TYR  45           HN       TYR  45  13.209  -0.860   6.564
  329    HA   TYR  45           HA       TYR  45  14.487   0.702   4.553
  330    HB2  TYR  45           HB2      TYR  45  14.632  -2.181   5.360
  331    HB3  TYR  45           HB1      TYR  45  15.366  -1.658   3.846
  332    HD1  TYR  45           HD1      TYR  45  17.344  -0.255   3.837
  333    HD2  TYR  45           HD2      TYR  45  15.536  -1.420   7.509
  334    HE1  TYR  45           HE1      TYR  45  19.353   0.468   5.051
  335    HE2  TYR  45           HE2      TYR  45  17.540  -0.700   8.728
  336    HH   TYR  45           HH       TYR  45  19.991   1.177   7.303
  337    H    GLY  46           HN       GLY  46  14.742  -0.633   2.299
  338    HA2  GLY  46           HA2      GLY  46  12.014  -0.549   1.225
  339    HA3  GLY  46           HA1      GLY  46  13.490  -0.310   0.309
  340    H    ILE  47           HN       ILE  47  12.769  -1.806  -1.225
  341    HA   ILE  47           HA       ILE  47  11.765  -4.337  -0.952
  342    HB   ILE  47           HB       ILE  47  13.856  -3.593  -2.963
  343   HG12  ILE  47          HG12      ILE  47  10.891  -3.266  -3.306
  344   HG13  ILE  47          HG11      ILE  47  11.917  -1.957  -2.718
  345   HG21  ILE  47          HG21      ILE  47  12.667  -5.193  -4.409
  346   HG22  ILE  47          HG22      ILE  47  11.587  -5.574  -3.068
  347   HG23  ILE  47          HG23      ILE  47  13.306  -5.952  -2.951
  348   HD11  ILE  47          HD11      ILE  47  11.511  -1.761  -5.092
  349   HD12  ILE  47          HD12      ILE  47  12.193  -3.368  -5.352
  350   HD13  ILE  47          HD13      ILE  47  13.214  -2.060  -4.764
  351    H    SER  48           HN       SER  48  15.146  -3.684  -1.712
  352    HA   SER  48           HA       SER  48  16.412  -5.265   0.098
  353    HB2  SER  48           HB2      SER  48  15.042  -7.131  -0.850
  354    HB3  SER  48           HB1      SER  48  15.828  -6.862  -2.406
  355    HG   SER  48           HG       SER  48  17.041  -8.409  -1.526
  356    H    TYR  49           HN       TYR  49  16.601  -5.380  -3.466
  357    HA   TYR  49           HA       TYR  49  18.809  -3.514  -3.497
  358    HB2  TYR  49           HB2      TYR  49  19.781  -5.785  -2.893
  359    HB3  TYR  49           HB1      TYR  49  19.286  -6.325  -4.489
  360    HD1  TYR  49           HD1      TYR  49  20.946  -6.287  -6.161
  361    HD2  TYR  49           HD2      TYR  49  21.177  -3.463  -2.963
  362    HE1  TYR  49           HE1      TYR  49  23.051  -5.424  -7.070
  363    HE2  TYR  49           HE2      TYR  49  23.285  -2.605  -3.881
  364    HH   TYR  49           HH       TYR  49  25.150  -3.499  -5.341
  365    H    GLU  50           HN       GLU  50  16.414  -3.116  -4.636
  366    HA   GLU  50           HA       GLU  50  16.982  -2.780  -7.396
  367    HB2  GLU  50           HB2      GLU  50  15.247  -4.220  -8.347
  368    HB3  GLU  50           HB1      GLU  50  16.407  -5.197  -7.451
  369    HG2  GLU  50           HG2      GLU  50  14.833  -5.220  -5.538
  370    HG3  GLU  50           HG1      GLU  50  13.663  -4.355  -6.538
  371    H    ASP  51           HN       ASP  51  14.712  -2.187  -8.522
  372    HA   ASP  51           HA       ASP  51  13.180  -0.606  -6.568
  373    HB2  ASP  51           HB2      ASP  51  13.049   1.268  -8.093
  374    HB3  ASP  51           HB1      ASP  51  14.741   0.874  -7.807
  375    H    LYS  52           HN       LYS  52  11.077  -1.001  -6.636
  376    HA   LYS  52           HA       LYS  52   9.950  -2.187  -9.077
  377    HB2  LYS  52           HB2      LYS  52   8.493  -1.978  -6.448
  378    HB3  LYS  52           HB1      LYS  52   8.161  -3.054  -7.797
  379    HG2  LYS  52           HG2      LYS  52  10.397  -3.210  -5.835
  380    HG3  LYS  52           HG1      LYS  52   9.064  -4.336  -6.019
  381    HD2  LYS  52           HD2      LYS  52  11.105  -3.824  -8.172
  382    HD3  LYS  52           HD1      LYS  52  11.296  -5.078  -6.950
  383    HE2  LYS  52           HE2      LYS  52   9.193  -6.102  -7.683
  384    HE3  LYS  52           HE1      LYS  52   9.027  -4.857  -8.919
  385    HZ1  LYS  52           HZ1      LYS  52  10.004  -7.035  -9.659
  386    HZ2  LYS  52           HZ2      LYS  52  11.392  -6.630  -8.772
  387    HZ3  LYS  52           HZ3      LYS  52  10.892  -5.656 -10.061
  388    H    ASN  53           HN       ASN  53   7.910  -1.423  -9.772
  389    HA   ASN  53           HA       ASN  53   7.583   1.447  -9.300
  390    HB2  ASN  53           HB2      ASN  53   5.940   1.155 -11.328
  391    HB3  ASN  53           HB1      ASN  53   7.682   1.233 -11.594
  392   HD21  ASN  53          HD21      ASN  53   4.911  -0.881 -11.400
  393   HD22  ASN  53          HD22      ASN  53   5.616  -2.190 -12.291
  394    H    TRP  54           HN       TRP  54   6.366   1.785  -7.626
  395    HA   TRP  54           HA       TRP  54   4.107   0.044  -7.021
  396    HB2  TRP  54           HB2      TRP  54   6.101   1.348  -5.539
  397    HB3  TRP  54           HB1      TRP  54   4.588   2.184  -5.172
  398    HD1  TRP  54           HD1      TRP  54   6.377  -1.108  -4.637
  399    HE1  TRP  54           HE1      TRP  54   5.058  -2.460  -2.867
  400    HE3  TRP  54           HE3      TRP  54   2.273   1.817  -4.403
  401    HZ2  TRP  54           HZ2      TRP  54   2.508  -2.243  -1.545
  402    HZ3  TRP  54           HZ3      TRP  54   0.447   1.227  -2.928
  403    HH2  TRP  54           HH2      TRP  54   0.570  -0.761  -1.483
  404    H    GLY  55           HN       GLY  55   2.058   1.144  -6.162
  405    HA2  GLY  55           HA2      GLY  55   1.753   3.921  -6.742
  406    HA3  GLY  55           HA1      GLY  55   1.021   2.910  -7.946
  407    H    ILE  56           HN       ILE  56  -0.341   4.774  -6.616
  408    HA   ILE  56           HA       ILE  56  -2.309   3.120  -5.150
  409    HB   ILE  56           HB       ILE  56  -1.820   6.065  -4.655
  410   HG12  ILE  56          HG12      ILE  56  -0.891   3.639  -3.126
  411   HG13  ILE  56          HG11      ILE  56   0.118   4.837  -3.944
  412   HG21  ILE  56          HG21      ILE  56  -3.221   5.719  -2.680
  413   HG22  ILE  56          HG22      ILE  56  -3.440   4.026  -3.128
  414   HG23  ILE  56          HG23      ILE  56  -4.089   5.303  -4.158
  415   HD11  ILE  56          HD11      ILE  56  -1.575   5.308  -1.505
  416   HD12  ILE  56          HD12      ILE  56  -0.651   6.545  -2.358
  417   HD13  ILE  56          HD13      ILE  56   0.186   5.206  -1.573
  418    H    PHE  57           HN       PHE  57  -4.448   3.382  -5.788
  419    HA   PHE  57           HA       PHE  57  -4.957   5.355  -7.912
  420    HB2  PHE  57           HB2      PHE  57  -5.882   2.481  -8.070
  421    HB3  PHE  57           HB1      PHE  57  -6.072   3.725  -9.296
  422    HD1  PHE  57           HD1      PHE  57  -4.198   4.419 -10.665
  423    HD2  PHE  57           HD2      PHE  57  -3.771   1.357  -7.746
  424    HE1  PHE  57           HE1      PHE  57  -2.057   3.759 -11.678
  425    HE2  PHE  57           HE2      PHE  57  -1.631   0.686  -8.755
  426    HZ   PHE  57           HZ       PHE  57  -0.772   1.889 -10.722
  427    H    VAL  58           HN       VAL  58  -6.530   6.633  -7.192
  428    HA   VAL  58           HA       VAL  58  -8.536   5.701  -5.323
  429    HB   VAL  58           HB       VAL  58  -8.440   8.347  -6.789
  430   HG11  VAL  58          HG11      VAL  58  -9.891   7.510  -4.283
  431   HG12  VAL  58          HG12      VAL  58 -10.622   7.826  -5.856
  432   HG13  VAL  58          HG13      VAL  58  -9.863   9.139  -4.957
  433   HG21  VAL  58          HG21      VAL  58  -7.326   7.647  -4.079
  434   HG22  VAL  58          HG22      VAL  58  -7.435   9.272  -4.751
  435   HG23  VAL  58          HG23      VAL  58  -6.399   8.068  -5.515
  436    H    ASN  59           HN       ASN  59 -10.074   4.376  -6.136
  437    HA   ASN  59           HA       ASN  59 -11.700   3.521  -7.469
  438    HB2  ASN  59           HB2      ASN  59 -11.847   6.347  -8.544
  439    HB3  ASN  59           HB1      ASN  59 -12.985   5.074  -8.953
  440   HD21  ASN  59          HD21      ASN  59 -11.572   5.709  -5.788
  441   HD22  ASN  59          HD22      ASN  59 -13.051   6.168  -5.023
  442    H    GLY  60           HN       GLY  60  -8.909   3.466  -8.296
  443    HA2  GLY  60           HA2      GLY  60  -7.864   2.442 -10.106
  444    HA3  GLY  60           HA1      GLY  60  -9.325   2.691 -11.055
  445    H    GLU  61           HN       GLU  61  -8.255   5.467  -9.434
  446    HA   GLU  61           HA       GLU  61  -7.125   6.536 -11.928
  447    HB2  GLU  61           HB2      GLU  61  -9.133   7.680 -11.121
  448    HB3  GLU  61           HB1      GLU  61  -8.365   7.955  -9.560
  449    HG2  GLU  61           HG2      GLU  61  -6.685   9.367 -10.661
  450    HG3  GLU  61           HG1      GLU  61  -7.517   9.125 -12.201
  451    H    LYS  62           HN       LYS  62  -5.040   6.967 -11.992
  452    HA   LYS  62           HA       LYS  62  -3.292   6.292  -9.910
  453    HB2  LYS  62           HB2      LYS  62  -2.743   6.205 -12.316
  454    HB3  LYS  62           HB1      LYS  62  -2.751   7.964 -12.368
  455    HG2  LYS  62           HG2      LYS  62  -0.829   8.080 -10.948
  456    HG3  LYS  62           HG1      LYS  62  -0.886   6.336 -10.652
  457    HD2  LYS  62           HD2      LYS  62  -0.427   5.902 -13.001
  458    HD3  LYS  62           HD1      LYS  62  -0.434   7.633 -13.342
  459    HE2  LYS  62           HE2      LYS  62   1.503   7.941 -11.903
  460    HE3  LYS  62           HE1      LYS  62   1.489   6.226 -11.494
  461    HZ1  LYS  62           HZ1      LYS  62   3.130   6.645 -13.173
  462    HZ2  LYS  62           HZ2      LYS  62   1.994   7.399 -14.174
  463    HZ3  LYS  62           HZ3      LYS  62   1.875   5.742 -13.859
  464    H    VAL  63           HN       VAL  63  -3.368   7.357  -8.042
  465    HA   VAL  63           HA       VAL  63  -3.313  10.284  -8.039
  466    HB   VAL  63           HB       VAL  63  -4.910   9.619  -6.471
  467   HG11  VAL  63          HG11      VAL  63  -4.517   7.244  -6.487
  468   HG12  VAL  63          HG12      VAL  63  -4.555   7.811  -4.816
  469   HG13  VAL  63          HG13      VAL  63  -3.014   7.451  -5.591
  470   HG21  VAL  63          HG21      VAL  63  -4.055  10.161  -4.288
  471   HG22  VAL  63          HG22      VAL  63  -3.230  11.164  -5.484
  472   HG23  VAL  63          HG23      VAL  63  -2.411   9.761  -4.789
  473    H    TYR  64           HN       TYR  64  -1.536   7.545  -6.639
  474    HA   TYR  64           HA       TYR  64   0.797   9.309  -6.371
  475    HB2  TYR  64           HB2      TYR  64  -0.425   8.999  -4.185
  476    HB3  TYR  64           HB1      TYR  64  -0.073   7.277  -4.302
  477    HD1  TYR  64           HD1      TYR  64   2.033   6.419  -3.644
  478    HD2  TYR  64           HD2      TYR  64   1.465  10.622  -3.943
  479    HE1  TYR  64           HE1      TYR  64   4.184   6.786  -2.510
  480    HE2  TYR  64           HE2      TYR  64   3.618  11.000  -2.817
  481    HH   TYR  64           HH       TYR  64   5.925   8.628  -2.426
  482    H    THR  65           HN       THR  65   2.791   8.277  -6.590
  483    HA   THR  65           HA       THR  65   2.843   5.417  -7.102
  484    HB   THR  65           HB       THR  65   3.671   7.474  -9.168
  485    HG1  THR  65           HG1      THR  65   1.426   6.058  -8.763
  486   HG21  THR  65          HG21      THR  65   5.315   5.648  -9.063
  487   HG22  THR  65          HG22      THR  65   4.392   5.610 -10.566
  488   HG23  THR  65          HG23      THR  65   4.016   4.475  -9.269
  489    H    PHE  66           HN       PHE  66   4.867   4.542  -6.560
  490    HA   PHE  66           HA       PHE  66   7.127   6.315  -6.198
  491    HB2  PHE  66           HB2      PHE  66   7.457   5.899  -3.847
  492    HB3  PHE  66           HB1      PHE  66   5.842   6.543  -4.072
  493    HD1  PHE  66           HD1      PHE  66   7.837   3.705  -3.015
  494    HD2  PHE  66           HD2      PHE  66   3.885   5.105  -3.740
  495    HE1  PHE  66           HE1      PHE  66   6.942   1.837  -1.688
  496    HE2  PHE  66           HE2      PHE  66   2.981   3.241  -2.416
  497    HZ   PHE  66           HZ       PHE  66   4.509   1.608  -1.384
  498    H    ASN  67           HN       ASN  67   8.889   4.813  -4.896
  499    HA   ASN  67           HA       ASN  67   8.909   2.260  -6.373
  500    HB2  ASN  67           HB2      ASN  67  11.274   3.987  -5.587
  501    HB3  ASN  67           HB1      ASN  67  11.373   2.425  -6.397
  502   HD21  ASN  67          HD21      ASN  67  10.671   2.255  -8.549
  503   HD22  ASN  67          HD22      ASN  67  10.544   3.646  -9.560
  504    H    GLU  68           HN       GLU  68   9.350   0.439  -5.265
  505    HA   GLU  68           HA       GLU  68   8.674   0.474  -2.544
  506    HB2  GLU  68           HB2      GLU  68   8.184  -1.298  -4.307
  507    HB3  GLU  68           HB1      GLU  68   9.834  -1.850  -4.071
  508    HG2  GLU  68           HG2      GLU  68   9.361  -2.261  -1.739
  509    HG3  GLU  68           HG1      GLU  68   7.691  -1.748  -1.965
  510    H    LYS  69           HN       LYS  69  11.731   0.841  -4.026
  511    HA   LYS  69           HA       LYS  69  13.193  -0.337  -1.823
  512    HB2  LYS  69           HB2      LYS  69  15.211   0.424  -2.942
  513    HB3  LYS  69           HB1      LYS  69  14.175  -0.470  -4.043
  514    HG2  LYS  69           HG2      LYS  69  13.359   1.679  -4.942
  515    HG3  LYS  69           HG1      LYS  69  14.524   2.506  -3.910
  516    HD2  LYS  69           HD2      LYS  69  15.411   0.341  -5.784
  517    HD3  LYS  69           HD1      LYS  69  15.235   2.000  -6.346
  518    HE2  LYS  69           HE2      LYS  69  16.934   1.160  -4.003
  519    HE3  LYS  69           HE1      LYS  69  17.547   1.400  -5.636
  520    HZ1  LYS  69           HZ1      LYS  69  17.919   3.352  -4.291
  521    HZ2  LYS  69           HZ2      LYS  69  16.271   3.468  -3.932
  522    HZ3  LYS  69           HZ3      LYS  69  16.806   3.708  -5.515
  523    H    SER  70           HN       SER  70  11.842   2.699  -2.626
  524    HA   SER  70           HA       SER  70  13.396   4.331  -0.957
  525    HB2  SER  70           HB2      SER  70  10.418   4.516  -1.522
  526    HB3  SER  70           HB1      SER  70  11.446   5.823  -0.923
  527    HG   SER  70           HG       SER  70  12.682   5.177  -3.021
  528    H    THR  71           HN       THR  71  12.693   5.023   1.330
  529    HA   THR  71           HA       THR  71  12.558   2.626   2.803
  530    HB   THR  71           HB       THR  71  12.246   4.340   4.766
  531    HG1  THR  71           HG1      THR  71  13.417   6.179   3.008
  532   HG21  THR  71          HG21      THR  71  14.650   4.800   4.766
  533   HG22  THR  71          HG22      THR  71  14.743   4.329   3.069
  534   HG23  THR  71          HG23      THR  71  14.321   3.133   4.295
  535    H    VAL  72           HN       VAL  72  10.824   1.516   3.072
  536    HA   VAL  72           HA       VAL  72   8.288   2.311   2.285
  537    HB   VAL  72           HB       VAL  72   9.001   0.038   4.159
  538   HG11  VAL  72          HG11      VAL  72   6.607   0.508   4.065
  539   HG12  VAL  72          HG12      VAL  72   7.020  -1.050   3.345
  540   HG13  VAL  72          HG13      VAL  72   6.654   0.336   2.308
  541   HG21  VAL  72          HG21      VAL  72   9.112  -1.344   2.132
  542   HG22  VAL  72          HG22      VAL  72  10.331  -0.069   2.129
  543   HG23  VAL  72          HG23      VAL  72   8.876   0.099   1.147
  544    H    GLY  73           HN       GLY  73   9.950   3.038   5.144
  545    HA2  GLY  73           HA2      GLY  73   7.576   3.174   6.833
  546    HA3  GLY  73           HA1      GLY  73   9.210   3.690   7.275
  547    H    ASN  74           HN       ASN  74   9.673   5.405   5.068
  548    HA   ASN  74           HA       ASN  74   8.283   7.729   5.975
  549    HB2  ASN  74           HB2      ASN  74  10.206   7.186   3.724
  550    HB3  ASN  74           HB1      ASN  74   9.437   8.760   3.916
  551   HD21  ASN  74          HD21      ASN  74  12.231   7.470   4.322
  552   HD22  ASN  74          HD22      ASN  74  12.753   8.183   5.819
  553    H    ILE  75           HN       ILE  75   7.993   5.529   3.255
  554    HA   ILE  75           HA       ILE  75   6.076   7.116   1.865
  555    HB   ILE  75           HB       ILE  75   6.404   4.133   1.593
  556   HG12  ILE  75          HG12      ILE  75   8.617   5.180   1.374
  557   HG13  ILE  75          HG11      ILE  75   8.047   4.585  -0.182
  558   HG21  ILE  75          HG21      ILE  75   4.455   5.052   0.511
  559   HG22  ILE  75          HG22      ILE  75   5.642   4.594  -0.709
  560   HG23  ILE  75          HG23      ILE  75   5.434   6.288  -0.277
  561   HD11  ILE  75          HD11      ILE  75   7.993   7.442   0.753
  562   HD12  ILE  75          HD12      ILE  75   7.410   6.856  -0.805
  563   HD13  ILE  75          HD13      ILE  75   9.122   6.738  -0.403
  564    H    SER  76           HN       SER  76   5.780   4.138   3.830
  565    HA   SER  76           HA       SER  76   3.054   3.813   3.421
  566    HB2  SER  76           HB2      SER  76   3.080   2.284   5.349
  567    HB3  SER  76           HB1      SER  76   4.438   1.994   4.257
  568    HG   SER  76           HG       SER  76   5.806   2.752   5.717
  569    H    ASN  77           HN       ASN  77   4.611   5.127   6.309
  570    HA   ASN  77           HA       ASN  77   2.089   5.646   7.486
  571    HB2  ASN  77           HB2      ASN  77   4.825   5.889   8.340
  572    HB3  ASN  77           HB1      ASN  77   3.863   7.270   8.880
  573   HD21  ASN  77          HD21      ASN  77   1.369   5.948   9.086
  574   HD22  ASN  77          HD22      ASN  77   1.442   4.807  10.393
  575    H    ASP  78           HN       ASP  78   3.970   7.602   5.304
  576    HA   ASP  78           HA       ASP  78   2.425   9.952   5.861
  577    HB2  ASP  78           HB2      ASP  78   4.222   9.159   3.624
  578    HB3  ASP  78           HB1      ASP  78   3.098  10.497   3.391
  579    H    ILE  79           HN       ILE  79   2.140   7.227   3.649
  580    HA   ILE  79           HA       ILE  79  -0.255   7.967   2.392
  581    HB   ILE  79           HB       ILE  79   0.734   5.240   3.234
  582   HG12  ILE  79          HG12      ILE  79   0.728   6.630   0.548
  583   HG13  ILE  79          HG11      ILE  79   2.141   6.327   1.562
  584   HG21  ILE  79          HG21      ILE  79  -0.923   4.320   1.653
  585   HG22  ILE  79          HG22      ILE  79  -1.610   5.934   1.473
  586   HG23  ILE  79          HG23      ILE  79  -1.658   5.123   3.042
  587   HD11  ILE  79          HD11      ILE  79   0.384   4.201   0.367
  588   HD12  ILE  79          HD12      ILE  79   1.872   3.948   1.284
  589   HD13  ILE  79          HD13      ILE  79   1.932   4.732  -0.297
  590    H    ASN  80           HN       ASN  80   0.471   6.832   5.584
  591    HA   ASN  80           HA       ASN  80  -2.230   6.068   6.097
  592    HB2  ASN  80           HB2      ASN  80   0.028   6.270   8.097
  593    HB3  ASN  80           HB1      ASN  80  -1.481   5.394   8.309
  594   HD21  ASN  80          HD21      ASN  80   1.195   4.368   8.531
  595   HD22  ASN  80          HD22      ASN  80   1.383   3.138   7.324
  596    H    LYS  81           HN       LYS  81  -0.182   8.815   6.942
  597    HA   LYS  81           HA       LYS  81  -1.957   9.992   8.774
  598    HB2  LYS  81           HB2      LYS  81  -0.850  12.104   8.344
  599    HB3  LYS  81           HB1      LYS  81   0.356  10.822   8.394
  600    HG2  LYS  81           HG2      LYS  81   0.459  10.807   5.968
  601    HG3  LYS  81           HG1      LYS  81  -0.786  12.051   5.896
  602    HD2  LYS  81           HD2      LYS  81   1.485  12.959   5.586
  603    HD3  LYS  81           HD1      LYS  81   0.672  13.631   6.999
  604    HE2  LYS  81           HE2      LYS  81   1.989  12.402   8.484
  605    HE3  LYS  81           HE1      LYS  81   2.501  11.269   7.237
  606    HZ1  LYS  81           HZ1      LYS  81   4.234  12.872   7.894
  607    HZ2  LYS  81           HZ2      LYS  81   3.273  14.131   7.305
  608    HZ3  LYS  81           HZ3      LYS  81   3.858  12.947   6.244
  609    H    LEU  82           HN       LEU  82  -1.939   9.815   5.304
  610    HA   LEU  82           HA       LEU  82  -3.803  11.760   4.609
  611    HB2  LEU  82           HB2      LEU  82  -3.765   9.025   3.353
  612    HB3  LEU  82           HB1      LEU  82  -4.121  10.567   2.593
  613    HG   LEU  82           HG       LEU  82  -1.392   9.546   3.462
  614   HD11  LEU  82          HD11      LEU  82  -2.246   8.591   1.379
  615   HD12  LEU  82          HD12      LEU  82  -0.931   9.718   1.038
  616   HD13  LEU  82          HD13      LEU  82  -2.602  10.199   0.751
  617   HD21  LEU  82          HD21      LEU  82  -1.606  11.971   3.884
  618   HD22  LEU  82          HD22      LEU  82  -2.149  12.218   2.225
  619   HD23  LEU  82          HD23      LEU  82  -0.513  11.640   2.540
  620    H    ASN  83           HN       ASN  83  -4.166   8.710   6.155
  621    HA   ASN  83           HA       ASN  83  -5.906   7.271   6.508
  622    HB2  ASN  83           HB2      ASN  83  -6.203   9.725   7.951
  623    HB3  ASN  83           HB1      ASN  83  -7.790   9.028   7.637
  624   HD21  ASN  83          HD21      ASN  83  -4.802   7.195   7.997
  625   HD22  ASN  83          HD22      ASN  83  -5.254   6.392   9.470
  626    H    ILE  84           HN       ILE  84  -6.847   6.394   4.882
  627    HA   ILE  84           HA       ILE  84  -8.110   7.214   2.698
  628    HB   ILE  84           HB       ILE  84  -8.723   4.879   4.468
  629   HG12  ILE  84          HG12      ILE  84  -6.581   5.133   3.164
  630   HG13  ILE  84          HG11      ILE  84  -7.487   3.635   2.923
  631   HG21  ILE  84          HG21      ILE  84 -10.815   5.335   3.311
  632   HG22  ILE  84          HG22      ILE  84 -10.056   3.878   2.669
  633   HG23  ILE  84          HG23      ILE  84  -9.966   5.389   1.766
  634   HD11  ILE  84          HD11      ILE  84  -7.446   6.016   1.076
  635   HD12  ILE  84          HD12      ILE  84  -8.326   4.511   0.807
  636   HD13  ILE  84          HD13      ILE  84  -6.563   4.509   0.843
  637    H    LYS  85           HN       LYS  85 -10.049   7.853   1.970
  638    HA   LYS  85           HA       LYS  85 -12.241   8.302   3.831
  639    HB2  LYS  85           HB2      LYS  85 -12.509  10.613   3.230
  640    HB3  LYS  85           HB1      LYS  85 -10.888  10.357   3.816
  641    HG2  LYS  85           HG2      LYS  85 -11.640  10.564   0.901
  642    HG3  LYS  85           HG1      LYS  85 -10.990  11.884   1.877
  643    HD2  LYS  85           HD2      LYS  85  -9.581   9.286   1.259
  644    HD3  LYS  85           HD1      LYS  85  -9.263  10.838   0.494
  645    HE2  LYS  85           HE2      LYS  85  -8.958  10.306   3.444
  646    HE3  LYS  85           HE1      LYS  85  -7.636  10.216   2.283
  647    HZ1  LYS  85           HZ1      LYS  85  -7.701  12.352   3.418
  648    HZ2  LYS  85           HZ2      LYS  85  -9.273  12.629   2.864
  649    HZ3  LYS  85           HZ3      LYS  85  -7.992  12.551   1.762
  650    H    GLY  86           HN       GLY  86 -11.330   6.861   1.239
  651    HA2  GLY  86           HA2      GLY  86 -13.517   7.876  -0.395
  652    HA3  GLY  86           HA1      GLY  86 -12.058   7.160  -1.076
  653    HA   PRO  87           HA       PRO  87 -15.186   3.744  -0.636
  654    HB2  PRO  87           HB2      PRO  87 -15.674   3.225  -3.216
  655    HB3  PRO  87           HB1      PRO  87 -16.519   4.528  -2.367
  656    HG2  PRO  87           HG2      PRO  87 -14.159   4.679  -4.206
  657    HG3  PRO  87           HG1      PRO  87 -15.603   5.714  -4.159
  658    HD2  PRO  87           HD2      PRO  87 -13.198   6.391  -3.030
  659    HD3  PRO  87           HD1      PRO  87 -14.763   7.000  -2.451
  660    H    TYR  88           HN       TYR  88 -13.682   3.211  -3.779
  661    HA   TYR  88           HA       TYR  88 -12.016   1.211  -2.490
  662    HB2  TYR  88           HB2      TYR  88 -11.943   0.021  -4.674
  663    HB3  TYR  88           HB1      TYR  88 -13.544   0.101  -3.953
  664    HD1  TYR  88           HD1      TYR  88 -15.184   1.813  -4.889
  665    HD2  TYR  88           HD2      TYR  88 -11.554   0.778  -6.849
  666    HE1  TYR  88           HE1      TYR  88 -16.091   2.662  -7.008
  667    HE2  TYR  88           HE2      TYR  88 -12.449   1.634  -8.971
  668    HH   TYR  88           HH       TYR  88 -15.413   3.428  -9.125
  669    H    ILE  89           HN       ILE  89 -10.057   1.825  -2.233
  670    HA   ILE  89           HA       ILE  89  -8.733   3.314  -4.391
  671    HB   ILE  89           HB       ILE  89  -8.303   3.599  -1.407
  672   HG12  ILE  89          HG12      ILE  89  -9.290   5.586  -3.470
  673   HG13  ILE  89          HG11      ILE  89 -10.315   4.732  -2.321
  674   HG21  ILE  89          HG21      ILE  89  -6.179   3.737  -2.568
  675   HG22  ILE  89          HG22      ILE  89  -6.659   5.337  -2.003
  676   HG23  ILE  89          HG23      ILE  89  -6.847   4.907  -3.704
  677   HD11  ILE  89          HD11      ILE  89  -9.838   7.040  -1.649
  678   HD12  ILE  89          HD12      ILE  89  -8.119   6.651  -1.581
  679   HD13  ILE  89          HD13      ILE  89  -9.245   5.862  -0.480
  680    H    GLU  90           HN       GLU  90  -6.987   2.348  -5.189
  681    HA   GLU  90           HA       GLU  90  -6.276  -0.242  -4.067
  682    HB2  GLU  90           HB2      GLU  90  -5.474   1.079  -6.654
  683    HB3  GLU  90           HB1      GLU  90  -5.108  -0.578  -6.197
  684    HG2  GLU  90           HG2      GLU  90  -7.466  -1.132  -6.191
  685    HG3  GLU  90           HG1      GLU  90  -7.883   0.543  -6.544
  686    H    ILE  91           HN       ILE  91  -4.297  -0.780  -3.341
  687    HA   ILE  91           HA       ILE  91  -2.150   1.172  -3.593
  688    HB   ILE  91           HB       ILE  91  -3.372   1.373  -1.352
  689   HG12  ILE  91          HG12      ILE  91  -0.432   0.733  -1.243
  690   HG13  ILE  91          HG11      ILE  91  -1.112   2.265  -1.775
  691   HG21  ILE  91          HG21      ILE  91  -3.662  -1.025  -0.925
  692   HG22  ILE  91          HG22      ILE  91  -2.840  -0.196   0.399
  693   HG23  ILE  91          HG23      ILE  91  -1.911  -1.183  -0.735
  694   HD11  ILE  91          HD11      ILE  91  -0.278   2.316   0.537
  695   HD12  ILE  91          HD12      ILE  91  -1.468   1.089   0.970
  696   HD13  ILE  91          HD13      ILE  91  -1.999   2.678   0.419
  697    H    LYS  92           HN       LYS  92  -0.849   0.066  -4.910
  698    HA   LYS  92           HA       LYS  92   0.341  -2.422  -4.209
  699    HB2  LYS  92           HB2      LYS  92  -0.681  -3.756  -6.070
  700    HB3  LYS  92           HB1      LYS  92  -1.815  -3.357  -4.783
  701    HG2  LYS  92           HG2      LYS  92  -3.139  -2.808  -6.527
  702    HG3  LYS  92           HG1      LYS  92  -2.267  -1.280  -6.406
  703    HD2  LYS  92           HD2      LYS  92  -2.310  -1.935  -8.707
  704    HD3  LYS  92           HD1      LYS  92  -0.663  -2.138  -8.113
  705    HE2  LYS  92           HE2      LYS  92  -1.110  -4.544  -7.791
  706    HE3  LYS  92           HE1      LYS  92  -2.729  -4.313  -8.455
  707    HZ1  LYS  92           HZ1      LYS  92  -0.165  -3.854  -9.881
  708    HZ2  LYS  92           HZ2      LYS  92  -1.703  -3.566 -10.526
  709    HZ3  LYS  92           HZ3      LYS  92  -1.233  -5.141 -10.137
  710    H    GLN  93           HN       GLN  93   1.764  -3.225  -6.037
  711    HA   GLN  93           HA       GLN  93   2.578  -0.911  -7.616
  712    HB2  GLN  93           HB2      GLN  93   4.675  -2.185  -8.073
  713    HB3  GLN  93           HB1      GLN  93   4.408  -1.759  -6.396
  714    HG2  GLN  93           HG2      GLN  93   5.104  -3.900  -6.136
  715    HG3  GLN  93           HG1      GLN  93   3.375  -4.190  -6.323
  716   HE21  GLN  93          HE21      GLN  93   5.553  -3.285  -8.931
  717   HE22  GLN  93          HE22      GLN  93   5.449  -4.790  -9.780
  718    H    ILE  94           HN       ILE  94   3.483  -1.436  -9.812
  719    HA   ILE  94           HA       ILE  94   1.200  -2.711 -11.158
  720    HB   ILE  94           HB       ILE  94   1.860  -0.832 -12.912
  721   HG12  ILE  94          HG12      ILE  94   3.048   0.047 -10.291
  722   HG13  ILE  94          HG11      ILE  94   3.760   0.122 -11.895
  723   HG21  ILE  94          HG21      ILE  94   0.350  -0.227 -10.375
  724   HG22  ILE  94          HG22      ILE  94  -0.301  -1.096 -11.765
  725   HG23  ILE  94          HG23      ILE  94   0.170   0.594 -11.925
  726   HD11  ILE  94          HD11      ILE  94   3.216   2.314 -11.028
  727   HD12  ILE  94          HD12      ILE  94   1.526   1.842 -10.868
  728   HD13  ILE  94          HD13      ILE  94   2.263   1.950 -12.469
  Start of MODEL   23
    1    H    ASP   1           HT1      ASP   1 -18.155   0.177 -10.217
    2    HA   ASP   1           HA       ASP   1 -16.331   0.315  -8.708
    3    HB2  ASP   1           HB2      ASP   1 -18.098   2.230  -7.162
    4    HB3  ASP   1           HB1      ASP   1 -16.528   1.635  -6.635
    5    H    ASN   2           HN       ASN   2 -16.758  -1.840  -8.374
    6    HA   ASN   2           HA       ASN   2 -19.035  -2.470  -6.613
    7    HB2  ASN   2           HB2      ASN   2 -18.945  -4.762  -7.580
    8    HB3  ASN   2           HB1      ASN   2 -19.318  -3.521  -8.769
    9   HD21  ASN   2          HD21      ASN   2 -16.859  -5.696  -7.586
   10   HD22  ASN   2          HD22      ASN   2 -15.888  -5.685  -9.016
   11    H    GLN   3           HN       GLN   3 -15.646  -2.600  -7.023
   12    HA   GLN   3           HA       GLN   3 -15.182  -4.443  -4.837
   13    HB2  GLN   3           HB2      GLN   3 -13.083  -2.567  -5.856
   14    HB3  GLN   3           HB1      GLN   3 -12.912  -4.216  -5.286
   15    HG2  GLN   3           HG2      GLN   3 -12.532  -4.468  -7.514
   16    HG3  GLN   3           HG1      GLN   3 -14.262  -4.799  -7.434
   17   HE21  GLN   3          HE21      GLN   3 -11.826  -2.527  -8.433
   18   HE22  GLN   3          HE22      GLN   3 -12.875  -1.521  -9.376
   19    H    LYS   4           HN       LYS   4 -16.546  -1.648  -4.864
   20    HA   LYS   4           HA       LYS   4 -14.984   0.145  -3.391
   21    HB2  LYS   4           HB2      LYS   4 -17.024   0.633  -4.805
   22    HB3  LYS   4           HB1      LYS   4 -17.995   0.004  -3.482
   23    HG2  LYS   4           HG2      LYS   4 -17.187   1.748  -2.009
   24    HG3  LYS   4           HG1      LYS   4 -16.140   2.365  -3.290
   25    HD2  LYS   4           HD2      LYS   4 -18.105   2.841  -4.667
   26    HD3  LYS   4           HD1      LYS   4 -19.155   2.222  -3.392
   27    HE2  LYS   4           HE2      LYS   4 -18.297   3.976  -1.884
   28    HE3  LYS   4           HE1      LYS   4 -17.323   4.611  -3.206
   29    HZ1  LYS   4           HZ1      LYS   4 -20.284   4.474  -3.102
   30    HZ2  LYS   4           HZ2      LYS   4 -19.398   4.979  -4.449
   31    HZ3  LYS   4           HZ3      LYS   4 -19.334   5.872  -3.015
   32    H    ALA   5           HN       ALA   5 -17.711  -1.890  -2.357
   33    HA   ALA   5           HA       ALA   5 -16.788  -1.684   0.394
   34    HB1  ALA   5           HB1      ALA   5 -19.169  -1.406   0.017
   35    HB2  ALA   5           HB2      ALA   5 -18.861  -2.849   0.980
   36    HB3  ALA   5           HB3      ALA   5 -19.252  -2.999  -0.730
   37    H    LEU   6           HN       LEU   6 -17.049  -3.999  -2.199
   38    HA   LEU   6           HA       LEU   6 -16.510  -6.202  -0.382
   39    HB2  LEU   6           HB2      LEU   6 -17.266  -6.211  -3.296
   40    HB3  LEU   6           HB1      LEU   6 -16.966  -7.658  -2.350
   41    HG   LEU   6           HG       LEU   6 -19.287  -7.489  -2.417
   42   HD11  LEU   6          HD11      LEU   6 -20.005  -7.005  -0.152
   43   HD12  LEU   6          HD12      LEU   6 -18.503  -6.134   0.153
   44   HD13  LEU   6          HD13      LEU   6 -18.469  -7.871  -0.153
   45   HD21  LEU   6          HD21      LEU   6 -20.529  -5.406  -1.926
   46   HD22  LEU   6          HD22      LEU   6 -19.524  -5.302  -3.371
   47   HD23  LEU   6          HD23      LEU   6 -18.991  -4.546  -1.871
   48    H    GLU   7           HN       GLU   7 -15.415  -6.118  -3.737
   49    HA   GLU   7           HA       GLU   7 -13.626  -8.124  -3.282
   50    HB2  GLU   7           HB2      GLU   7 -14.492  -7.455  -5.484
   51    HB3  GLU   7           HB1      GLU   7 -13.405  -6.076  -5.478
   52    HG2  GLU   7           HG2      GLU   7 -12.547  -7.923  -6.824
   53    HG3  GLU   7           HG1      GLU   7 -11.487  -7.545  -5.468
   54    H    GLU   8           HN       GLU   8 -12.563  -4.700  -3.731
   55    HA   GLU   8           HA       GLU   8  -9.849  -5.334  -3.489
   56    HB2  GLU   8           HB2      GLU   8 -11.353  -2.761  -3.173
   57    HB3  GLU   8           HB1      GLU   8  -9.620  -2.837  -2.889
   58    HG2  GLU   8           HG2      GLU   8 -11.008  -3.596  -5.450
   59    HG3  GLU   8           HG1      GLU   8 -10.163  -2.080  -5.149
   60    H    GLN   9           HN       GLN   9 -12.242  -4.848  -1.002
   61    HA   GLN   9           HA       GLN   9 -10.154  -4.609   1.034
   62    HB2  GLN   9           HB2      GLN   9 -13.141  -4.274   1.116
   63    HB3  GLN   9           HB1      GLN   9 -12.202  -4.442   2.591
   64    HG2  GLN   9           HG2      GLN   9 -12.623  -2.113   2.119
   65    HG3  GLN   9           HG1      GLN   9 -10.902  -2.458   1.991
   66   HE21  GLN   9          HE21      GLN   9  -9.885  -2.242   0.035
   67   HE22  GLN   9          HE22      GLN   9 -10.656  -1.582  -1.363
   68    H    MET  10           HN       MET  10 -11.290  -7.046  -0.617
   69    HA   MET  10           HA       MET  10 -11.512  -8.879   1.669
   70    HB2  MET  10           HB2      MET  10 -12.254  -9.267  -1.240
   71    HB3  MET  10           HB1      MET  10 -12.358 -10.522  -0.014
   72    HG2  MET  10           HG2      MET  10 -13.898  -7.940  -0.056
   73    HG3  MET  10           HG1      MET  10 -14.527  -9.543  -0.432
   74    HE1  MET  10           HE1      MET  10 -16.511  -9.160   1.302
   75    HE2  MET  10           HE2      MET  10 -15.872  -7.558   1.673
   76    HE3  MET  10           HE3      MET  10 -16.257  -8.677   2.980
   77    H    ASN  11           HN       ASN  11 -10.803 -11.046  -0.420
   78    HA   ASN  11           HA       ASN  11  -8.193 -11.495   0.429
   79    HB2  ASN  11           HB2      ASN  11  -9.546 -12.521  -2.074
   80    HB3  ASN  11           HB1      ASN  11  -8.049 -13.158  -1.410
   81   HD21  ASN  11          HD21      ASN  11  -8.821 -15.186  -1.035
   82   HD22  ASN  11          HD22      ASN  11 -10.007 -15.541   0.174
   83    H    SER  12           HN       SER  12  -9.326  -9.522  -2.190
   84    HA   SER  12           HA       SER  12  -7.081  -9.399  -3.805
   85    HB2  SER  12           HB2      SER  12  -9.080  -7.238  -3.119
   86    HB3  SER  12           HB1      SER  12  -7.893  -7.113  -4.422
   87    HG   SER  12           HG       SER  12 -10.162  -8.771  -4.211
   88    H    ILE  13           HN       ILE  13  -7.816  -7.363  -0.947
   89    HA   ILE  13           HA       ILE  13  -5.338  -5.943  -1.148
   90    HB   ILE  13           HB       ILE  13  -7.242  -4.862  -0.091
   91   HG12  ILE  13          HG12      ILE  13  -4.923  -5.380   1.779
   92   HG13  ILE  13          HG11      ILE  13  -5.077  -4.072   0.610
   93   HG21  ILE  13          HG21      ILE  13  -8.342  -6.775   0.896
   94   HG22  ILE  13          HG22      ILE  13  -8.031  -5.558   2.134
   95   HG23  ILE  13          HG23      ILE  13  -7.009  -6.992   2.029
   96   HD11  ILE  13          HD11      ILE  13  -6.916  -3.134   1.897
   97   HD12  ILE  13          HD12      ILE  13  -5.459  -3.295   2.880
   98   HD13  ILE  13          HD13      ILE  13  -6.780  -4.452   3.059
   99    H    ASN  14           HN       ASN  14  -6.454  -8.739   0.655
  100    HA   ASN  14           HA       ASN  14  -4.225  -8.827   2.436
  101    HB2  ASN  14           HB2      ASN  14  -6.154 -10.993   1.652
  102    HB3  ASN  14           HB1      ASN  14  -5.045 -11.073   3.011
  103   HD21  ASN  14          HD21      ASN  14  -7.965 -11.210   2.953
  104   HD22  ASN  14          HD22      ASN  14  -8.520  -9.936   3.982
  105    H    SER  15           HN       SER  15  -5.030 -10.407  -0.619
  106    HA   SER  15           HA       SER  15  -2.748 -11.990  -0.904
  107    HB2  SER  15           HB2      SER  15  -4.678 -12.010  -2.470
  108    HB3  SER  15           HB1      SER  15  -4.201 -10.418  -3.056
  109    HG   SER  15           HG       SER  15  -2.891 -12.896  -3.374
  110    H    VAL  16           HN       VAL  16  -3.292  -8.561  -1.533
  111    HA   VAL  16           HA       VAL  16  -0.682  -7.954  -2.430
  112    HB   VAL  16           HB       VAL  16  -2.767  -6.201  -1.110
  113   HG11  VAL  16          HG11      VAL  16  -0.582  -5.213  -0.758
  114   HG12  VAL  16          HG12      VAL  16  -1.462  -4.296  -1.981
  115   HG13  VAL  16          HG13      VAL  16  -0.188  -5.416  -2.464
  116   HG21  VAL  16          HG21      VAL  16  -3.148  -5.365  -3.368
  117   HG22  VAL  16          HG22      VAL  16  -3.404  -7.109  -3.298
  118   HG23  VAL  16          HG23      VAL  16  -1.917  -6.460  -3.993
  119    H    ASN  17           HN       ASN  17  -2.139  -8.209   0.798
  120    HA   ASN  17           HA       ASN  17  -0.022  -7.026   2.247
  121    HB2  ASN  17           HB2      ASN  17  -1.828  -9.311   3.078
  122    HB3  ASN  17           HB1      ASN  17  -0.745  -8.453   4.165
  123   HD21  ASN  17          HD21      ASN  17  -1.364  -5.900   2.686
  124   HD22  ASN  17          HD22      ASN  17  -2.918  -5.426   3.297
  125    H    ASP  18           HN       ASP  18  -0.543 -10.355   1.189
  126    HA   ASP  18           HA       ASP  18   1.916 -11.355   2.247
  127    HB2  ASP  18           HB2      ASP  18   0.084 -12.492   0.121
  128    HB3  ASP  18           HB1      ASP  18   1.416 -13.363   0.879
  129    H    LYS  19           HN       LYS  19   1.099  -9.525  -0.458
  130    HA   LYS  19           HA       LYS  19   3.249 -10.467  -2.168
  131    HB2  LYS  19           HB2      LYS  19   1.085  -9.845  -3.150
  132    HB3  LYS  19           HB1      LYS  19   1.234  -8.230  -2.481
  133    HG2  LYS  19           HG2      LYS  19   1.730  -8.254  -4.856
  134    HG3  LYS  19           HG1      LYS  19   3.151  -7.794  -3.913
  135    HD2  LYS  19           HD2      LYS  19   4.086  -9.982  -4.153
  136    HD3  LYS  19           HD1      LYS  19   2.620 -10.581  -4.924
  137    HE2  LYS  19           HE2      LYS  19   4.411  -8.424  -6.035
  138    HE3  LYS  19           HE1      LYS  19   4.430 -10.113  -6.537
  139    HZ1  LYS  19           HZ1      LYS  19   3.125  -8.770  -8.055
  140    HZ2  LYS  19           HZ2      LYS  19   2.128  -8.254  -6.795
  141    HZ3  LYS  19           HZ3      LYS  19   2.125  -9.880  -7.256
  142    H    LEU  20           HN       LEU  20   2.402  -7.761  -0.137
  143    HA   LEU  20           HA       LEU  20   4.691  -6.196  -0.900
  144    HB2  LEU  20           HB2      LEU  20   2.647  -5.830   1.275
  145    HB3  LEU  20           HB1      LEU  20   3.870  -4.644   0.843
  146    HG   LEU  20           HG       LEU  20   1.452  -5.517  -0.696
  147   HD11  LEU  20          HD11      LEU  20   2.575  -2.812  -0.012
  148   HD12  LEU  20          HD12      LEU  20   1.233  -3.619   0.802
  149   HD13  LEU  20          HD13      LEU  20   1.075  -3.124  -0.884
  150   HD21  LEU  20          HD21      LEU  20   3.138  -5.738  -2.337
  151   HD22  LEU  20          HD22      LEU  20   3.940  -4.260  -1.816
  152   HD23  LEU  20          HD23      LEU  20   2.369  -4.177  -2.616
  153    H    ASN  21           HN       ASN  21   3.832  -8.403   1.643
  154    HA   ASN  21           HA       ASN  21   6.275  -7.919   3.096
  155    HB2  ASN  21           HB2      ASN  21   4.028  -9.905   3.316
  156    HB3  ASN  21           HB1      ASN  21   5.550 -10.227   4.147
  157   HD21  ASN  21          HD21      ASN  21   2.741  -8.121   3.987
  158   HD22  ASN  21          HD22      ASN  21   3.000  -7.369   5.528
  159    H    LYS  22           HN       LYS  22   7.395  -8.055   0.936
  160    HA   LYS  22           HA       LYS  22   7.463 -10.690  -0.290
  161    HB2  LYS  22           HB2      LYS  22   8.882  -9.230  -2.020
  162    HB3  LYS  22           HB1      LYS  22   7.124  -9.278  -2.021
  163    HG2  LYS  22           HG2      LYS  22   7.500  -7.027  -2.177
  164    HG3  LYS  22           HG1      LYS  22   7.360  -7.205  -0.434
  165    HD2  LYS  22           HD2      LYS  22   9.826  -7.292  -0.281
  166    HD3  LYS  22           HD1      LYS  22   9.919  -7.032  -2.022
  167    HE2  LYS  22           HE2      LYS  22   8.951  -5.127   0.109
  168    HE3  LYS  22           HE1      LYS  22  10.266  -4.914  -1.049
  169    HZ1  LYS  22           HZ1      LYS  22   7.368  -4.970  -1.690
  170    HZ2  LYS  22           HZ2      LYS  22   8.603  -4.880  -2.836
  171    HZ3  LYS  22           HZ3      LYS  22   8.383  -3.611  -1.735
  172    H    GLY  23           HN       GLY  23   9.769  -8.386   1.100
  173    HA2  GLY  23           HA2      GLY  23  11.568 -10.490   1.780
  174    HA3  GLY  23           HA1      GLY  23  12.151  -9.571   0.391
  175    H    LYS  24           HN       LYS  24  13.022  -7.563   0.702
  176    HA   LYS  24           HA       LYS  24  13.134  -6.550   3.422
  177    HB2  LYS  24           HB2      LYS  24  15.033  -6.547   1.603
  178    HB3  LYS  24           HB1      LYS  24  14.192  -5.094   1.052
  179    HG2  LYS  24           HG2      LYS  24  14.371  -4.213   3.360
  180    HG3  LYS  24           HG1      LYS  24  15.438  -5.576   3.733
  181    HD2  LYS  24           HD2      LYS  24  15.829  -3.684   1.477
  182    HD3  LYS  24           HD1      LYS  24  16.603  -3.477   3.052
  183    HE2  LYS  24           HE2      LYS  24  17.565  -5.798   2.728
  184    HE3  LYS  24           HE1      LYS  24  16.988  -5.714   1.066
  185    HZ1  LYS  24           HZ1      LYS  24  18.367  -3.733   0.753
  186    HZ2  LYS  24           HZ2      LYS  24  19.292  -5.075   1.191
  187    HZ3  LYS  24           HZ3      LYS  24  18.948  -3.881   2.334
  188    H    GLY  25           HN       GLY  25  12.300  -4.461   3.911
  189    HA2  GLY  25           HA2      GLY  25  10.506  -3.036   3.970
  190    HA3  GLY  25           HA1      GLY  25  10.607  -3.018   2.223
  191    H    LYS  26           HN       LYS  26   8.481  -3.433   4.597
  192    HA   LYS  26           HA       LYS  26   6.768  -4.933   2.802
  193    HB2  LYS  26           HB2      LYS  26   6.053  -6.466   4.666
  194    HB3  LYS  26           HB1      LYS  26   7.658  -6.737   3.994
  195    HG2  LYS  26           HG2      LYS  26   8.311  -5.107   6.002
  196    HG3  LYS  26           HG1      LYS  26   6.855  -5.846   6.682
  197    HD2  LYS  26           HD2      LYS  26   8.852  -7.106   7.303
  198    HD3  LYS  26           HD1      LYS  26   7.787  -8.067   6.276
  199    HE2  LYS  26           HE2      LYS  26   9.186  -7.651   4.356
  200    HE3  LYS  26           HE1      LYS  26  10.195  -6.537   5.275
  201    HZ1  LYS  26           HZ1      LYS  26  11.250  -8.684   5.057
  202    HZ2  LYS  26           HZ2      LYS  26   9.912  -9.458   5.746
  203    HZ3  LYS  26           HZ3      LYS  26  10.856  -8.415   6.683
  204    H    LEU  27           HN       LEU  27   4.641  -4.514   2.981
  205    HA   LEU  27           HA       LEU  27   3.899  -2.388   4.883
  206    HB2  LEU  27           HB2      LEU  27   2.733  -2.834   2.129
  207    HB3  LEU  27           HB1      LEU  27   2.399  -1.494   3.208
  208    HG   LEU  27           HG       LEU  27   4.884  -0.883   2.912
  209   HD11  LEU  27          HD11      LEU  27   5.895  -1.603   0.812
  210   HD12  LEU  27          HD12      LEU  27   4.530  -2.674   0.510
  211   HD13  LEU  27          HD13      LEU  27   5.603  -2.981   1.874
  212   HD21  LEU  27          HD21      LEU  27   3.047   0.417   1.993
  213   HD22  LEU  27          HD22      LEU  27   2.952  -0.668   0.607
  214   HD23  LEU  27          HD23      LEU  27   4.383   0.336   0.843
  215    H    SER  28           HN       SER  28   2.355  -3.023   6.292
  216    HA   SER  28           HA       SER  28   0.542  -5.197   5.513
  217    HB2  SER  28           HB2      SER  28   1.713  -5.040   7.814
  218    HB3  SER  28           HB1      SER  28   0.550  -3.769   8.174
  219    HG   SER  28           HG       SER  28   0.170  -6.320   8.453
  220    H    LEU  29           HN       LEU  29  -1.039  -4.331   4.218
  221    HA   LEU  29           HA       LEU  29  -1.942  -1.616   4.591
  222    HB2  LEU  29           HB2      LEU  29  -3.006  -3.683   2.681
  223    HB3  LEU  29           HB1      LEU  29  -3.252  -1.947   2.601
  224    HG   LEU  29           HG       LEU  29  -0.656  -3.414   2.144
  225   HD11  LEU  29          HD11      LEU  29  -2.483  -1.883   0.303
  226   HD12  LEU  29          HD12      LEU  29  -2.209  -3.625   0.306
  227   HD13  LEU  29          HD13      LEU  29  -0.902  -2.527  -0.137
  228   HD21  LEU  29          HD21      LEU  29  -1.240  -0.456   2.055
  229   HD22  LEU  29          HD22      LEU  29   0.271  -1.227   1.570
  230   HD23  LEU  29          HD23      LEU  29  -0.246  -1.283   3.254
  231    H    SER  30           HN       SER  30  -3.712  -0.903   5.520
  232    HA   SER  30           HA       SER  30  -5.932  -2.743   5.777
  233    HB2  SER  30           HB2      SER  30  -4.944  -1.031   8.067
  234    HB3  SER  30           HB1      SER  30  -6.348  -2.104   8.101
  235    HG   SER  30           HG       SER  30  -4.323  -3.558   7.262
  236    H    MET  31           HN       MET  31  -7.818  -1.822   5.208
  237    HA   MET  31           HA       MET  31  -7.831   1.106   4.835
  238    HB2  MET  31           HB2      MET  31  -9.272  -0.967   3.162
  239    HB3  MET  31           HB1      MET  31  -9.210   0.766   2.860
  240    HG2  MET  31           HG2      MET  31  -6.849   0.653   2.424
  241    HG3  MET  31           HG1      MET  31  -6.817  -1.054   2.856
  242    HE1  MET  31           HE1      MET  31  -6.116  -1.271  -0.931
  243    HE2  MET  31           HE2      MET  31  -5.644  -1.803   0.684
  244    HE3  MET  31           HE3      MET  31  -5.498  -0.103   0.237
  245    H    ASN  32           HN       ASN  32  -9.221   2.069   6.172
  246    HA   ASN  32           HA       ASN  32 -11.667   0.615   6.908
  247    HB2  ASN  32           HB2      ASN  32  -9.735   1.960   8.806
  248    HB3  ASN  32           HB1      ASN  32 -11.366   1.472   9.261
  249   HD21  ASN  32          HD21      ASN  32 -11.846  -0.701   9.477
  250   HD22  ASN  32          HD22      ASN  32 -10.614  -1.918   9.591
  251    H    GLY  33           HN       GLY  33 -12.854   1.951   5.540
  252    HA2  GLY  33           HA2      GLY  33 -14.227   3.717   5.084
  253    HA3  GLY  33           HA1      GLY  33 -14.071   4.129   6.783
  254    H    ASN  34           HN       ASN  34 -12.867   5.912   7.341
  255    HA   ASN  34           HA       ASN  34 -11.841   7.495   5.098
  256    HB2  ASN  34           HB2      ASN  34 -13.629   8.365   6.762
  257    HB3  ASN  34           HB1      ASN  34 -12.292   8.535   7.890
  258   HD21  ASN  34          HD21      ASN  34 -10.347   9.292   5.854
  259   HD22  ASN  34          HD22      ASN  34 -10.757  10.921   5.390
  260    H    GLN  35           HN       GLN  35 -10.325   5.314   6.120
  261    HA   GLN  35           HA       GLN  35  -7.956   6.776   6.902
  262    HB2  GLN  35           HB2      GLN  35  -8.847   6.236   9.063
  263    HB3  GLN  35           HB1      GLN  35  -9.092   4.555   8.590
  264    HG2  GLN  35           HG2      GLN  35  -6.641   4.345   8.282
  265    HG3  GLN  35           HG1      GLN  35  -6.464   5.977   8.930
  266   HE21  GLN  35          HE21      GLN  35  -6.875   6.337  11.132
  267   HE22  GLN  35          HE22      GLN  35  -6.947   5.032  12.272
  268    H    LEU  36           HN       LEU  36  -6.262   6.077   5.896
  269    HA   LEU  36           HA       LEU  36  -6.038   3.231   5.177
  270    HB2  LEU  36           HB2      LEU  36  -5.812   5.171   3.415
  271    HB3  LEU  36           HB1      LEU  36  -4.243   5.418   4.148
  272    HG   LEU  36           HG       LEU  36  -4.021   4.110   2.124
  273   HD11  LEU  36          HD11      LEU  36  -2.460   3.578   3.899
  274   HD12  LEU  36          HD12      LEU  36  -2.864   2.136   2.967
  275   HD13  LEU  36          HD13      LEU  36  -3.586   2.389   4.556
  276   HD21  LEU  36          HD21      LEU  36  -6.262   3.174   2.049
  277   HD22  LEU  36          HD22      LEU  36  -5.889   2.138   3.426
  278   HD23  LEU  36          HD23      LEU  36  -5.043   1.909   1.895
  279    H    LYS  37           HN       LYS  37  -4.717   2.130   6.522
  280    HA   LYS  37           HA       LYS  37  -2.408   3.555   7.662
  281    HB2  LYS  37           HB2      LYS  37  -2.729   2.502   9.845
  282    HB3  LYS  37           HB1      LYS  37  -4.113   3.509   9.437
  283    HG2  LYS  37           HG2      LYS  37  -5.458   1.595   8.971
  284    HG3  LYS  37           HG1      LYS  37  -4.060   0.520   9.089
  285    HD2  LYS  37           HD2      LYS  37  -3.824   1.030  11.447
  286    HD3  LYS  37           HD1      LYS  37  -5.137   2.202  11.355
  287    HE2  LYS  37           HE2      LYS  37  -5.454  -0.735  10.762
  288    HE3  LYS  37           HE1      LYS  37  -5.766  -0.011  12.339
  289    HZ1  LYS  37           HZ1      LYS  37  -7.193   0.543   9.799
  290    HZ2  LYS  37           HZ2      LYS  37  -7.398   1.462  11.201
  291    HZ3  LYS  37           HZ3      LYS  37  -7.820  -0.175  11.194
  292    H    ALA  38           HN       ALA  38  -0.616   2.300   7.816
  293    HA   ALA  38           HA       ALA  38  -0.699  -0.550   7.255
  294    HB1  ALA  38           HB1      ALA  38  -0.736   0.444   5.014
  295    HB2  ALA  38           HB2      ALA  38   0.794  -0.377   5.322
  296    HB3  ALA  38           HB3      ALA  38   0.706   1.383   5.401
  297    H    THR  39           HN       THR  39   0.889  -1.540   8.317
  298    HA   THR  39           HA       THR  39   2.912   0.147   9.573
  299    HB   THR  39           HB       THR  39   3.414  -1.805  10.980
  300    HG1  THR  39           HG1      THR  39   2.862  -3.403   9.418
  301   HG21  THR  39          HG21      THR  39   0.458  -1.194  10.831
  302   HG22  THR  39          HG22      THR  39   1.664  -0.269  11.725
  303   HG23  THR  39          HG23      THR  39   1.289  -1.924  12.206
  304    H    SER  40           HN       SER  40   5.000  -0.004   9.082
  305    HA   SER  40           HA       SER  40   5.737  -1.797   6.881
  306    HB2  SER  40           HB2      SER  40   7.576  -0.063   6.502
  307    HB3  SER  40           HB1      SER  40   5.928   0.432   6.107
  308    HG   SER  40           HG       SER  40   6.101   1.947   7.538
  309    H    SER  41           HN       SER  41   7.035  -3.380   7.393
  310    HA   SER  41           HA       SER  41   8.597  -3.140   9.861
  311    HB2  SER  41           HB2      SER  41   7.793  -5.664   8.402
  312    HB3  SER  41           HB1      SER  41   8.538  -5.559   9.993
  313    HG   SER  41           HG       SER  41   6.687  -4.855  10.846
  314    H    ASN  42           HN       ASN  42  10.473  -4.939   9.662
  315    HA   ASN  42           HA       ASN  42  12.535  -5.414   8.850
  316    HB2  ASN  42           HB2      ASN  42  11.088  -5.184   6.482
  317    HB3  ASN  42           HB1      ASN  42  12.444  -4.086   6.261
  318   HD21  ASN  42          HD21      ASN  42  12.510  -7.012   8.204
  319   HD22  ASN  42          HD22      ASN  42  13.631  -7.868   7.195
  320    H    ALA  43           HN       ALA  43  11.614  -2.966  10.122
  321    HA   ALA  43           HA       ALA  43  12.546  -1.134  11.040
  322    HB1  ALA  43           HB1      ALA  43  15.079  -2.117   9.757
  323    HB2  ALA  43           HB2      ALA  43  14.456  -2.606  11.332
  324    HB3  ALA  43           HB3      ALA  43  14.957  -0.936  11.061
  325    H    GLY  44           HN       GLY  44  11.372  -0.936   8.378
  326    HA2  GLY  44           HA2      GLY  44  10.851   1.043   7.248
  327    HA3  GLY  44           HA1      GLY  44  12.328   1.763   7.877
  328    H    TYR  45           HN       TYR  45  13.732  -0.787   6.891
  329    HA   TYR  45           HA       TYR  45  14.816   0.243   4.544
  330    HB2  TYR  45           HB2      TYR  45  14.695  -2.560   5.633
  331    HB3  TYR  45           HB1      TYR  45  15.568  -2.158   4.156
  332    HD1  TYR  45           HD1      TYR  45  17.589  -0.773   4.239
  333    HD2  TYR  45           HD2      TYR  45  15.552  -1.868   7.808
  334    HE1  TYR  45           HE1      TYR  45  19.554  -0.112   5.560
  335    HE2  TYR  45           HE2      TYR  45  17.508  -1.214   9.131
  336    HH   TYR  45           HH       TYR  45  19.965  -0.964   8.791
  337    H    GLY  46           HN       GLY  46  14.239   0.202   2.468
  338    HA2  GLY  46           HA2      GLY  46  11.697  -1.140   1.866
  339    HA3  GLY  46           HA1      GLY  46  12.240   0.341   1.127
  340    H    ILE  47           HN       ILE  47  14.900  -0.576   0.393
  341    HA   ILE  47           HA       ILE  47  14.260  -0.743  -2.244
  342    HB   ILE  47           HB       ILE  47  16.729  -2.144  -1.532
  343   HG12  ILE  47          HG12      ILE  47  17.648   0.366  -1.183
  344   HG13  ILE  47          HG11      ILE  47  16.041   0.540  -0.480
  345   HG21  ILE  47          HG21      ILE  47  16.048   0.114  -3.393
  346   HG22  ILE  47          HG22      ILE  47  16.294  -1.580  -3.814
  347   HG23  ILE  47          HG23      ILE  47  17.648  -0.608  -3.238
  348   HD11  ILE  47          HD11      ILE  47  18.117  -1.468   0.357
  349   HD12  ILE  47          HD12      ILE  47  16.509  -1.289   1.059
  350   HD13  ILE  47          HD13      ILE  47  17.690   0.011   1.216
  351    H    SER  48           HN       SER  48  15.085  -3.471  -0.160
  352    HA   SER  48           HA       SER  48  14.998  -5.720  -0.455
  353    HB2  SER  48           HB2      SER  48  13.590  -5.002  -3.011
  354    HB3  SER  48           HB1      SER  48  13.823  -6.666  -2.462
  355    HG   SER  48           HG       SER  48  12.575  -4.718  -0.832
  356    H    TYR  49           HN       TYR  49  15.663  -4.247  -3.650
  357    HA   TYR  49           HA       TYR  49  18.366  -5.202  -3.621
  358    HB2  TYR  49           HB2      TYR  49  17.020  -7.266  -4.161
  359    HB3  TYR  49           HB1      TYR  49  16.501  -6.474  -5.637
  360    HD1  TYR  49           HD1      TYR  49  18.369  -5.770  -7.331
  361    HD2  TYR  49           HD2      TYR  49  19.049  -8.495  -4.110
  362    HE1  TYR  49           HE1      TYR  49  20.358  -6.635  -8.469
  363    HE2  TYR  49           HE2      TYR  49  21.038  -9.346  -5.256
  364    HH   TYR  49           HH       TYR  49  22.467  -7.789  -7.895
  365    H    GLU  50           HN       GLU  50  15.675  -4.057  -5.640
  366    HA   GLU  50           HA       GLU  50  17.517  -2.262  -7.038
  367    HB2  GLU  50           HB2      GLU  50  16.473  -2.941  -9.216
  368    HB3  GLU  50           HB1      GLU  50  17.482  -4.177  -8.474
  369    HG2  GLU  50           HG2      GLU  50  15.521  -5.345  -7.677
  370    HG3  GLU  50           HG1      GLU  50  14.476  -4.071  -8.316
  371    H    ASP  51           HN       ASP  51  15.995  -1.211  -8.893
  372    HA   ASP  51           HA       ASP  51  14.237   0.451  -7.334
  373    HB2  ASP  51           HB2      ASP  51  15.898   1.139  -9.231
  374    HB3  ASP  51           HB1      ASP  51  14.575   0.684 -10.303
  375    H    LYS  52           HN       LYS  52  12.355  -0.517  -6.856
  376    HA   LYS  52           HA       LYS  52  10.845  -1.848  -8.956
  377    HB2  LYS  52           HB2      LYS  52  10.356  -1.512  -6.010
  378    HB3  LYS  52           HB1      LYS  52   9.169  -2.193  -7.077
  379    HG2  LYS  52           HG2      LYS  52  10.174  -4.044  -6.145
  380    HG3  LYS  52           HG1      LYS  52  10.980  -3.889  -7.696
  381    HD2  LYS  52           HD2      LYS  52  12.881  -2.828  -6.644
  382    HD3  LYS  52           HD1      LYS  52  12.065  -2.888  -5.080
  383    HE2  LYS  52           HE2      LYS  52  12.909  -5.247  -6.754
  384    HE3  LYS  52           HE1      LYS  52  13.667  -4.698  -5.260
  385    HZ1  LYS  52           HZ1      LYS  52  12.199  -6.568  -4.860
  386    HZ2  LYS  52           HZ2      LYS  52  10.889  -5.728  -5.521
  387    HZ3  LYS  52           HZ3      LYS  52  11.603  -5.186  -4.087
  388    H    ASN  53           HN       ASN  53   8.943  -1.080  -9.786
  389    HA   ASN  53           HA       ASN  53   8.423   1.755  -9.312
  390    HB2  ASN  53           HB2      ASN  53   6.887   1.398 -11.383
  391    HB3  ASN  53           HB1      ASN  53   8.635   1.440 -11.613
  392   HD21  ASN  53          HD21      ASN  53   5.797  -0.563 -11.552
  393   HD22  ASN  53          HD22      ASN  53   6.509  -1.932 -12.343
  394    H    TRP  54           HN       TRP  54   7.042   2.148  -7.753
  395    HA   TRP  54           HA       TRP  54   4.957   0.212  -7.150
  396    HB2  TRP  54           HB2      TRP  54   6.664   1.903  -5.653
  397    HB3  TRP  54           HB1      TRP  54   4.996   2.433  -5.385
  398    HD1  TRP  54           HD1      TRP  54   7.392  -0.338  -4.476
  399    HE1  TRP  54           HE1      TRP  54   6.145  -2.028  -2.978
  400    HE3  TRP  54           HE3      TRP  54   2.720   1.479  -5.059
  401    HZ2  TRP  54           HZ2      TRP  54   3.421  -2.505  -2.189
  402    HZ3  TRP  54           HZ3      TRP  54   0.859   0.389  -3.957
  403    HH2  TRP  54           HH2      TRP  54   1.200  -1.561  -2.537
  404    H    GLY  55           HN       GLY  55   2.715   0.948  -6.673
  405    HA2  GLY  55           HA2      GLY  55   2.077   3.611  -7.659
  406    HA3  GLY  55           HA1      GLY  55   1.435   2.257  -8.556
  407    H    ILE  56           HN       ILE  56   0.233   4.480  -6.935
  408    HA   ILE  56           HA       ILE  56  -1.677   2.720  -5.548
  409    HB   ILE  56           HB       ILE  56  -0.847   5.480  -4.633
  410   HG12  ILE  56          HG12      ILE  56  -0.417   2.738  -3.449
  411   HG13  ILE  56          HG11      ILE  56   0.820   3.826  -4.089
  412   HG21  ILE  56          HG21      ILE  56  -2.337   5.015  -2.701
  413   HG22  ILE  56          HG22      ILE  56  -2.908   3.570  -3.537
  414   HG23  ILE  56          HG23      ILE  56  -3.199   5.161  -4.232
  415   HD11  ILE  56          HD11      ILE  56  -0.882   4.343  -1.665
  416   HD12  ILE  56          HD12      ILE  56   0.377   5.403  -2.299
  417   HD13  ILE  56          HD13      ILE  56   0.800   3.815  -1.658
  418    H    PHE  57           HN       PHE  57  -3.704   2.947  -6.162
  419    HA   PHE  57           HA       PHE  57  -4.511   5.425  -7.535
  420    HB2  PHE  57           HB2      PHE  57  -5.817   2.799  -8.199
  421    HB3  PHE  57           HB1      PHE  57  -5.716   4.259  -9.165
  422    HD1  PHE  57           HD1      PHE  57  -3.973   4.579 -10.721
  423    HD2  PHE  57           HD2      PHE  57  -3.803   1.333  -7.977
  424    HE1  PHE  57           HE1      PHE  57  -2.086   3.617 -11.972
  425    HE2  PHE  57           HE2      PHE  57  -1.918   0.372  -9.220
  426    HZ   PHE  57           HZ       PHE  57  -1.057   1.517 -11.217
  427    H    VAL  58           HN       VAL  58  -6.844   5.865  -7.300
  428    HA   VAL  58           HA       VAL  58  -8.195   4.370  -5.197
  429    HB   VAL  58           HB       VAL  58  -7.076   6.144  -3.946
  430   HG11  VAL  58          HG11      VAL  58  -7.580   8.502  -4.320
  431   HG12  VAL  58          HG12      VAL  58  -8.540   8.077  -5.736
  432   HG13  VAL  58          HG13      VAL  58  -6.802   7.781  -5.730
  433   HG21  VAL  58          HG21      VAL  58  -9.036   7.146  -2.868
  434   HG22  VAL  58          HG22      VAL  58  -9.267   5.427  -3.186
  435   HG23  VAL  58          HG23      VAL  58 -10.039   6.626  -4.223
  436    H    ASN  59           HN       ASN  59 -10.240   4.032  -5.734
  437    HA   ASN  59           HA       ASN  59 -12.181   4.057  -6.912
  438    HB2  ASN  59           HB2      ASN  59 -11.627   7.032  -6.925
  439    HB3  ASN  59           HB1      ASN  59 -13.152   6.303  -7.417
  440   HD21  ASN  59          HD21      ASN  59 -12.520   8.163  -5.243
  441   HD22  ASN  59          HD22      ASN  59 -13.080   7.403  -3.794
  442    H    GLY  60           HN       GLY  60  -9.632   3.757  -8.355
  443    HA2  GLY  60           HA2      GLY  60  -9.358   3.083 -10.575
  444    HA3  GLY  60           HA1      GLY  60 -10.780   4.019 -11.013
  445    H    GLU  61           HN       GLU  61  -9.012   6.120  -9.224
  446    HA   GLU  61           HA       GLU  61  -7.658   7.133 -11.636
  447    HB2  GLU  61           HB2      GLU  61  -7.937   9.328 -10.847
  448    HB3  GLU  61           HB1      GLU  61  -9.460   8.538 -10.447
  449    HG2  GLU  61           HG2      GLU  61  -8.616   8.187  -8.150
  450    HG3  GLU  61           HG1      GLU  61  -7.171   9.099  -8.578
  451    H    LYS  62           HN       LYS  62  -5.536   7.969 -11.443
  452    HA   LYS  62           HA       LYS  62  -3.942   6.477  -9.554
  453    HB2  LYS  62           HB2      LYS  62  -3.308   6.703 -11.931
  454    HB3  LYS  62           HB1      LYS  62  -3.129   8.437 -11.699
  455    HG2  LYS  62           HG2      LYS  62  -1.221   8.171 -10.357
  456    HG3  LYS  62           HG1      LYS  62  -1.532   6.447 -10.116
  457    HD2  LYS  62           HD2      LYS  62  -1.076   6.017 -12.467
  458    HD3  LYS  62           HD1      LYS  62  -0.827   7.741 -12.752
  459    HE2  LYS  62           HE2      LYS  62   0.812   6.104 -10.829
  460    HE3  LYS  62           HE1      LYS  62   1.267   6.381 -12.509
  461    HZ1  LYS  62           HZ1      LYS  62   0.826   8.524 -10.500
  462    HZ2  LYS  62           HZ2      LYS  62   1.365   8.734 -12.087
  463    HZ3  LYS  62           HZ3      LYS  62   2.337   7.929 -10.963
  464    H    VAL  63           HN       VAL  63  -3.176   7.217  -7.679
  465    HA   VAL  63           HA       VAL  63  -3.470  10.095  -7.168
  466    HB   VAL  63           HB       VAL  63  -4.958   9.134  -5.680
  467   HG11  VAL  63          HG11      VAL  63  -4.447   6.813  -6.076
  468   HG12  VAL  63          HG12      VAL  63  -4.491   7.120  -4.339
  469   HG13  VAL  63          HG13      VAL  63  -2.943   6.957  -5.169
  470   HG21  VAL  63          HG21      VAL  63  -2.390   9.189  -4.104
  471   HG22  VAL  63          HG22      VAL  63  -4.023   9.336  -3.454
  472   HG23  VAL  63          HG23      VAL  63  -3.375  10.599  -4.500
  473    H    TYR  64           HN       TYR  64  -1.374   7.311  -6.302
  474    HA   TYR  64           HA       TYR  64   0.812   9.235  -5.965
  475    HB2  TYR  64           HB2      TYR  64  -0.322   8.733  -3.750
  476    HB3  TYR  64           HB1      TYR  64   0.255   7.078  -3.925
  477    HD1  TYR  64           HD1      TYR  64   2.362   6.502  -3.122
  478    HD2  TYR  64           HD2      TYR  64   1.461  10.599  -3.804
  479    HE1  TYR  64           HE1      TYR  64   4.492   7.138  -2.072
  480    HE2  TYR  64           HE2      TYR  64   3.592  11.248  -2.763
  481    HH   TYR  64           HH       TYR  64   6.087   9.115  -2.200
  482    H    THR  65           HN       THR  65   2.920   8.305  -6.067
  483    HA   THR  65           HA       THR  65   3.185   5.514  -6.839
  484    HB   THR  65           HB       THR  65   3.916   7.803  -8.686
  485    HG1  THR  65           HG1      THR  65   1.734   6.378  -8.468
  486   HG21  THR  65          HG21      THR  65   5.700   6.121  -8.693
  487   HG22  THR  65          HG22      THR  65   4.810   6.124 -10.215
  488   HG23  THR  65          HG23      THR  65   4.509   4.862  -9.019
  489    H    PHE  66           HN       PHE  66   5.266   4.713  -6.338
  490    HA   PHE  66           HA       PHE  66   7.381   6.562  -5.687
  491    HB2  PHE  66           HB2      PHE  66   7.653   5.843  -3.360
  492    HB3  PHE  66           HB1      PHE  66   6.105   6.637  -3.611
  493    HD1  PHE  66           HD1      PHE  66   7.801   3.564  -2.686
  494    HD2  PHE  66           HD2      PHE  66   4.017   5.327  -3.524
  495    HE1  PHE  66           HE1      PHE  66   6.680   1.685  -1.562
  496    HE2  PHE  66           HE2      PHE  66   2.884   3.443  -2.399
  497    HZ   PHE  66           HZ       PHE  66   4.222   1.625  -1.418
  498    H    ASN  67           HN       ASN  67   9.071   4.910  -4.280
  499    HA   ASN  67           HA       ASN  67   9.306   2.512  -5.956
  500    HB2  ASN  67           HB2      ASN  67  11.473   4.571  -5.479
  501    HB3  ASN  67           HB1      ASN  67  11.774   2.968  -6.147
  502   HD21  ASN  67          HD21      ASN  67  12.119   5.688  -7.271
  503   HD22  ASN  67          HD22      ASN  67  11.259   5.668  -8.772
  504    H    GLU  68           HN       GLU  68  10.741   0.873  -5.051
  505    HA   GLU  68           HA       GLU  68  10.247   0.372  -2.352
  506    HB2  GLU  68           HB2      GLU  68  11.518  -0.942  -4.519
  507    HB3  GLU  68           HB1      GLU  68  12.579  -1.066  -3.144
  508    HG2  GLU  68           HG2      GLU  68  11.046  -2.968  -3.362
  509    HG3  GLU  68           HG1      GLU  68  10.874  -2.118  -1.828
  510    H    LYS  69           HN       LYS  69  13.215   1.655  -3.863
  511    HA   LYS  69           HA       LYS  69  14.935   1.368  -1.712
  512    HB2  LYS  69           HB2      LYS  69  15.807   3.736  -2.820
  513    HB3  LYS  69           HB1      LYS  69  16.299   2.121  -3.304
  514    HG2  LYS  69           HG2      LYS  69  13.838   3.283  -4.468
  515    HG3  LYS  69           HG1      LYS  69  15.412   3.849  -5.050
  516    HD2  LYS  69           HD2      LYS  69  14.691   0.927  -4.884
  517    HD3  LYS  69           HD1      LYS  69  14.419   1.898  -6.330
  518    HE2  LYS  69           HE2      LYS  69  17.098   1.541  -5.000
  519    HE3  LYS  69           HE1      LYS  69  16.534   0.601  -6.380
  520    HZ1  LYS  69           HZ1      LYS  69  17.830   2.321  -7.266
  521    HZ2  LYS  69           HZ2      LYS  69  17.138   3.495  -6.268
  522    HZ3  LYS  69           HZ3      LYS  69  16.228   2.817  -7.529
  523    H    SER  70           HN       SER  70  12.683   4.012  -2.366
  524    HA   SER  70           HA       SER  70  13.557   5.542  -0.169
  525    HB2  SER  70           HB2      SER  70  11.258   6.649  -0.434
  526    HB3  SER  70           HB1      SER  70  12.353   6.739  -1.813
  527    HG   SER  70           HG       SER  70  10.629   4.545  -1.707
  528    H    THR  71           HN       THR  71  13.071   5.263   1.994
  529    HA   THR  71           HA       THR  71  12.454   2.668   2.755
  530    HB   THR  71           HB       THR  71  12.372   3.591   5.081
  531    HG1  THR  71           HG1      THR  71  12.866   6.084   3.779
  532   HG21  THR  71          HG21      THR  71  14.502   2.938   4.103
  533   HG22  THR  71          HG22      THR  71  14.712   4.369   5.110
  534   HG23  THR  71          HG23      THR  71  14.668   4.524   3.353
  535    H    VAL  72           HN       VAL  72  10.698   1.663   3.135
  536    HA   VAL  72           HA       VAL  72   8.216   2.574   2.331
  537    HB   VAL  72           HB       VAL  72   7.948   0.460   4.300
  538   HG11  VAL  72          HG11      VAL  72   6.443   0.922   2.433
  539   HG12  VAL  72          HG12      VAL  72   7.033  -0.742   2.436
  540   HG13  VAL  72          HG13      VAL  72   7.712   0.431   1.304
  541   HG21  VAL  72          HG21      VAL  72   9.319  -1.230   3.145
  542   HG22  VAL  72          HG22      VAL  72  10.296   0.012   3.926
  543   HG23  VAL  72          HG23      VAL  72  10.052   0.050   2.177
  544    H    GLY  73           HN       GLY  73   9.844   3.030   5.279
  545    HA2  GLY  73           HA2      GLY  73   7.459   3.233   6.903
  546    HA3  GLY  73           HA1      GLY  73   9.104   3.635   7.416
  547    H    ASN  74           HN       ASN  74   9.671   5.490   5.311
  548    HA   ASN  74           HA       ASN  74   8.261   7.789   6.303
  549    HB2  ASN  74           HB2      ASN  74  10.345   7.400   4.158
  550    HB3  ASN  74           HB1      ASN  74   9.549   8.952   4.397
  551   HD21  ASN  74          HD21      ASN  74  11.822   6.665   5.671
  552   HD22  ASN  74          HD22      ASN  74  12.430   7.681   6.944
  553    H    ILE  75           HN       ILE  75   8.150   5.722   3.494
  554    HA   ILE  75           HA       ILE  75   6.414   7.357   1.949
  555    HB   ILE  75           HB       ILE  75   6.825   4.369   1.773
  556   HG12  ILE  75          HG12      ILE  75   8.942   5.593   1.534
  557   HG13  ILE  75          HG11      ILE  75   8.448   4.878  -0.001
  558   HG21  ILE  75          HG21      ILE  75   6.026   4.617  -0.525
  559   HG22  ILE  75          HG22      ILE  75   5.741   6.334  -0.240
  560   HG23  ILE  75          HG23      ILE  75   4.807   5.127   0.645
  561   HD11  ILE  75          HD11      ILE  75   8.153   7.758   0.806
  562   HD12  ILE  75          HD12      ILE  75   7.595   7.061  -0.714
  563   HD13  ILE  75          HD13      ILE  75   9.317   7.097  -0.338
  564    H    SER  76           HN       SER  76   5.772   4.252   3.598
  565    HA   SER  76           HA       SER  76   3.071   4.233   2.967
  566    HB2  SER  76           HB2      SER  76   4.422   2.813   5.254
  567    HB3  SER  76           HB1      SER  76   2.859   2.392   4.546
  568    HG   SER  76           HG       SER  76   4.223   2.283   2.501
  569    H    ASN  77           HN       ASN  77   4.600   5.142   6.019
  570    HA   ASN  77           HA       ASN  77   2.018   5.560   7.169
  571    HB2  ASN  77           HB2      ASN  77   4.706   5.445   8.196
  572    HB3  ASN  77           HB1      ASN  77   3.790   6.767   8.927
  573   HD21  ASN  77          HD21      ASN  77   1.217   5.571   8.717
  574   HD22  ASN  77          HD22      ASN  77   1.144   4.225   9.812
  575    H    ASP  78           HN       ASP  78   4.157   7.678   5.428
  576    HA   ASP  78           HA       ASP  78   2.868  10.088   6.219
  577    HB2  ASP  78           HB2      ASP  78   4.381   9.255   3.780
  578    HB3  ASP  78           HB1      ASP  78   3.403  10.719   3.715
  579    H    ILE  79           HN       ILE  79   2.319   7.802   3.606
  580    HA   ILE  79           HA       ILE  79  -0.015   8.765   2.492
  581    HB   ILE  79           HB       ILE  79   0.888   5.927   2.973
  582   HG12  ILE  79          HG12      ILE  79   0.895   7.571   0.437
  583   HG13  ILE  79          HG11      ILE  79   2.287   7.390   1.507
  584   HG21  ILE  79          HG21      ILE  79  -0.739   5.249   1.245
  585   HG22  ILE  79          HG22      ILE  79  -1.413   6.879   1.276
  586   HG23  ILE  79          HG23      ILE  79  -1.501   5.858   2.715
  587   HD11  ILE  79          HD11      ILE  79   0.881   5.152   0.072
  588   HD12  ILE  79          HD12      ILE  79   2.309   5.002   1.097
  589   HD13  ILE  79          HD13      ILE  79   2.402   5.897  -0.419
  590    H    ASN  80           HN       ASN  80   0.516   7.112   5.499
  591    HA   ASN  80           HA       ASN  80  -2.268   6.501   5.805
  592    HB2  ASN  80           HB2      ASN  80   0.007   6.108   7.754
  593    HB3  ASN  80           HB1      ASN  80  -1.609   5.437   7.920
  594   HD21  ASN  80          HD21      ASN  80   1.040   4.149   7.721
  595   HD22  ASN  80          HD22      ASN  80   0.919   3.053   6.384
  596    H    LYS  81           HN       LYS  81   0.015   8.840   7.060
  597    HA   LYS  81           HA       LYS  81  -1.616   9.903   9.081
  598    HB2  LYS  81           HB2      LYS  81   0.458  11.238   7.335
  599    HB3  LYS  81           HB1      LYS  81  -0.321  12.029   8.702
  600    HG2  LYS  81           HG2      LYS  81   0.545  10.218  10.166
  601    HG3  LYS  81           HG1      LYS  81   1.434   9.586   8.780
  602    HD2  LYS  81           HD2      LYS  81   1.749  12.364   9.912
  603    HD3  LYS  81           HD1      LYS  81   2.817  11.007  10.270
  604    HE2  LYS  81           HE2      LYS  81   3.370  10.838   7.888
  605    HE3  LYS  81           HE1      LYS  81   2.323  12.213   7.551
  606    HZ1  LYS  81           HZ1      LYS  81   4.620  12.894   7.695
  607    HZ2  LYS  81           HZ2      LYS  81   4.753  12.250   9.251
  608    HZ3  LYS  81           HZ3      LYS  81   3.743  13.571   8.971
  609    H    LEU  82           HN       LEU  82  -1.656  10.210   5.638
  610    HA   LEU  82           HA       LEU  82  -3.285  12.462   5.313
  611    HB2  LEU  82           HB2      LEU  82  -3.517  10.035   3.561
  612    HB3  LEU  82           HB1      LEU  82  -3.641  11.727   3.111
  613    HG   LEU  82           HG       LEU  82  -1.107  10.209   3.811
  614   HD11  LEU  82          HD11      LEU  82  -1.978   9.730   1.588
  615   HD12  LEU  82          HD12      LEU  82  -0.534  10.736   1.461
  616   HD13  LEU  82          HD13      LEU  82  -2.130  11.451   1.241
  617   HD21  LEU  82          HD21      LEU  82  -1.000  12.518   4.648
  618   HD22  LEU  82          HD22      LEU  82  -1.478  13.129   3.064
  619   HD23  LEU  82          HD23      LEU  82   0.065  12.298   3.259
  620    H    ASN  83           HN       ASN  83  -3.988   9.291   6.454
  621    HA   ASN  83           HA       ASN  83  -5.894   7.986   6.502
  622    HB2  ASN  83           HB2      ASN  83  -6.695  10.578   7.810
  623    HB3  ASN  83           HB1      ASN  83  -7.709   9.140   7.850
  624   HD21  ASN  83          HD21      ASN  83  -5.425   7.288   8.024
  625   HD22  ASN  83          HD22      ASN  83  -4.812   7.449   9.633
  626    H    ILE  84           HN       ILE  84  -6.191   7.791   4.293
  627    HA   ILE  84           HA       ILE  84  -7.370   9.644   2.592
  628    HB   ILE  84           HB       ILE  84  -7.585   6.670   2.193
  629   HG12  ILE  84          HG12      ILE  84  -5.194   8.469   1.769
  630   HG13  ILE  84          HG11      ILE  84  -5.316   7.119   2.914
  631   HG21  ILE  84          HG21      ILE  84  -8.709   8.104   0.550
  632   HG22  ILE  84          HG22      ILE  84  -7.340   7.255  -0.169
  633   HG23  ILE  84          HG23      ILE  84  -7.195   8.959   0.260
  634   HD11  ILE  84          HD11      ILE  84  -4.034   6.545   0.891
  635   HD12  ILE  84          HD12      ILE  84  -5.466   6.873  -0.090
  636   HD13  ILE  84          HD13      ILE  84  -5.480   5.551   1.077
  637    H    LYS  85           HN       LYS  85  -9.376   9.899   1.766
  638    HA   LYS  85           HA       LYS  85 -11.592   8.940   3.407
  639    HB2  LYS  85           HB2      LYS  85 -12.900  10.661   2.252
  640    HB3  LYS  85           HB1      LYS  85 -11.414  11.345   2.907
  641    HG2  LYS  85           HG2      LYS  85 -10.621  10.605   0.375
  642    HG3  LYS  85           HG1      LYS  85 -12.290  11.140   0.128
  643    HD2  LYS  85           HD2      LYS  85 -10.833  13.021  -0.169
  644    HD3  LYS  85           HD1      LYS  85 -11.723  13.245   1.338
  645    HE2  LYS  85           HE2      LYS  85  -9.815  12.535   2.628
  646    HE3  LYS  85           HE1      LYS  85  -8.923  12.119   1.161
  647    HZ1  LYS  85           HZ1      LYS  85  -8.242  14.259   2.074
  648    HZ2  LYS  85           HZ2      LYS  85  -9.820  14.850   1.919
  649    HZ3  LYS  85           HZ3      LYS  85  -8.929  14.445   0.539
  650    H    GLY  86           HN       GLY  86 -10.025   7.363   1.405
  651    HA2  GLY  86           HA2      GLY  86 -11.838   6.923  -0.802
  652    HA3  GLY  86           HA1      GLY  86 -10.280   6.153  -0.558
  653    HA   PRO  87           HA       PRO  87 -13.763   3.411   1.187
  654    HB2  PRO  87           HB2      PRO  87 -15.162   2.467  -0.886
  655    HB3  PRO  87           HB1      PRO  87 -15.590   4.015  -0.136
  656    HG2  PRO  87           HG2      PRO  87 -13.964   3.494  -2.607
  657    HG3  PRO  87           HG1      PRO  87 -15.303   4.645  -2.384
  658    HD2  PRO  87           HD2      PRO  87 -12.691   5.383  -2.252
  659    HD3  PRO  87           HD1      PRO  87 -13.959   6.177  -1.290
  660    H    TYR  88           HN       TYR  88 -12.409   2.971  -2.083
  661    HA   TYR  88           HA       TYR  88 -10.953   0.688  -1.026
  662    HB2  TYR  88           HB2      TYR  88 -11.270  -0.623  -3.004
  663    HB3  TYR  88           HB1      TYR  88 -12.858  -0.123  -2.432
  664    HD1  TYR  88           HD1      TYR  88 -10.514  -0.076  -5.167
  665    HD2  TYR  88           HD2      TYR  88 -14.050   1.731  -3.649
  666    HE1  TYR  88           HE1      TYR  88 -11.036   0.773  -7.414
  667    HE2  TYR  88           HE2      TYR  88 -14.580   2.580  -5.889
  668    HH   TYR  88           HH       TYR  88 -13.734   2.969  -7.960
  669    H    ILE  89           HN       ILE  89  -8.861   0.909  -1.262
  670    HA   ILE  89           HA       ILE  89  -7.896   2.847  -3.255
  671    HB   ILE  89           HB       ILE  89  -6.530   2.031  -0.671
  672   HG12  ILE  89          HG12      ILE  89  -6.960   4.555  -0.173
  673   HG13  ILE  89          HG11      ILE  89  -8.225   4.411  -1.393
  674   HG21  ILE  89          HG21      ILE  89  -4.981   2.650  -2.461
  675   HG22  ILE  89          HG22      ILE  89  -4.973   3.840  -1.161
  676   HG23  ILE  89          HG23      ILE  89  -5.827   4.182  -2.665
  677   HD11  ILE  89          HD11      ILE  89  -9.082   4.161   0.884
  678   HD12  ILE  89          HD12      ILE  89  -8.036   2.761   1.120
  679   HD13  ILE  89          HD13      ILE  89  -9.328   2.704  -0.077
  680    H    GLU  90           HN       GLU  90  -6.343   2.188  -4.672
  681    HA   GLU  90           HA       GLU  90  -5.732  -0.675  -4.633
  682    HB2  GLU  90           HB2      GLU  90  -5.466   1.356  -6.845
  683    HB3  GLU  90           HB1      GLU  90  -5.145  -0.367  -6.997
  684    HG2  GLU  90           HG2      GLU  90  -7.489  -0.846  -6.494
  685    HG3  GLU  90           HG1      GLU  90  -7.806   0.880  -6.322
  686    H    ILE  91           HN       ILE  91  -3.987  -0.916  -3.370
  687    HA   ILE  91           HA       ILE  91  -1.642   0.763  -3.946
  688    HB   ILE  91           HB       ILE  91  -2.449  -0.598  -1.367
  689   HG12  ILE  91          HG12      ILE  91  -2.265   2.271  -2.257
  690   HG13  ILE  91          HG11      ILE  91  -3.656   1.417  -1.593
  691   HG21  ILE  91          HG21      ILE  91  -0.119  -0.841  -1.419
  692   HG22  ILE  91          HG22      ILE  91  -0.416   0.583  -0.429
  693   HG23  ILE  91          HG23      ILE  91   0.121   0.767  -2.098
  694   HD11  ILE  91          HD11      ILE  91  -1.176   2.271  -0.117
  695   HD12  ILE  91          HD12      ILE  91  -2.476   1.296   0.578
  696   HD13  ILE  91          HD13      ILE  91  -2.801   2.944   0.041
  697    H    LYS  92           HN       LYS  92  -0.482  -0.372  -5.395
  698    HA   LYS  92           HA       LYS  92   0.871  -2.738  -4.595
  699    HB2  LYS  92           HB2      LYS  92  -0.007  -4.356  -6.095
  700    HB3  LYS  92           HB1      LYS  92  -1.412  -3.653  -5.302
  701    HG2  LYS  92           HG2      LYS  92  -0.432  -2.749  -7.996
  702    HG3  LYS  92           HG1      LYS  92  -1.601  -4.058  -7.787
  703    HD2  LYS  92           HD2      LYS  92  -2.901  -2.288  -6.373
  704    HD3  LYS  92           HD1      LYS  92  -1.896  -1.127  -7.251
  705    HE2  LYS  92           HE2      LYS  92  -4.004  -1.437  -8.401
  706    HE3  LYS  92           HE1      LYS  92  -2.677  -2.074  -9.373
  707    HZ1  LYS  92           HZ1      LYS  92  -4.563  -3.573  -9.372
  708    HZ2  LYS  92           HZ2      LYS  92  -4.522  -3.683  -7.688
  709    HZ3  LYS  92           HZ3      LYS  92  -3.243  -4.302  -8.610
  710    H    GLN  93           HN       GLN  93   2.615  -3.181  -6.027
  711    HA   GLN  93           HA       GLN  93   3.317  -0.906  -7.599
  712    HB2  GLN  93           HB2      GLN  93   5.354  -2.438  -8.183
  713    HB3  GLN  93           HB1      GLN  93   5.209  -1.648  -6.621
  714    HG2  GLN  93           HG2      GLN  93   4.056  -3.910  -5.944
  715    HG3  GLN  93           HG1      GLN  93   4.943  -4.523  -7.343
  716   HE21  GLN  93          HE21      GLN  93   7.090  -2.561  -6.943
  717   HE22  GLN  93          HE22      GLN  93   8.005  -3.097  -5.574
  718    H    ILE  94           HN       ILE  94   4.244  -1.146  -9.791
  719    HA   ILE  94           HA       ILE  94   2.019  -2.323 -11.316
  720    HB   ILE  94           HB       ILE  94   2.531  -0.298 -12.855
  721   HG12  ILE  94          HG12      ILE  94   3.993   0.408 -10.309
  722   HG13  ILE  94          HG11      ILE  94   4.588   0.490 -11.962
  723   HG21  ILE  94          HG21      ILE  94   0.490  -0.538 -11.562
  724   HG22  ILE  94          HG22      ILE  94   1.059   1.131 -11.503
  725   HG23  ILE  94          HG23      ILE  94   1.313   0.065 -10.123
  726   HD11  ILE  94          HD11      ILE  94   4.206   2.691 -11.032
  727   HD12  ILE  94          HD12      ILE  94   2.517   2.285 -10.733
  728   HD13  ILE  94          HD13      ILE  94   3.119   2.387 -12.389
  Start of MODEL   24
    1    H    ASP   1           HT1      ASP   1 -15.618  -3.858  13.302
    2    HA   ASP   1           HA       ASP   1 -15.288  -4.511  11.008
    3    HB2  ASP   1           HB2      ASP   1 -14.797  -6.205  12.612
    4    HB3  ASP   1           HB1      ASP   1 -16.502  -6.538  12.888
    5    H    ASN   2           HN       ASN   2 -16.222  -4.336   9.097
    6    HA   ASN   2           HA       ASN   2 -18.804  -5.571   8.614
    7    HB2  ASN   2           HB2      ASN   2 -19.825  -3.555   7.650
    8    HB3  ASN   2           HB1      ASN   2 -19.477  -3.338   9.360
    9   HD21  ASN   2          HD21      ASN   2 -18.633  -2.419   6.123
   10   HD22  ASN   2          HD22      ASN   2 -17.686  -1.037   6.546
   11    H    GLN   3           HN       GLN   3 -15.788  -4.395   7.633
   12    HA   GLN   3           HA       GLN   3 -16.205  -4.691   4.802
   13    HB2  GLN   3           HB2      GLN   3 -13.794  -4.258   6.538
   14    HB3  GLN   3           HB1      GLN   3 -13.647  -4.589   4.820
   15    HG2  GLN   3           HG2      GLN   3 -14.559  -2.579   4.207
   16    HG3  GLN   3           HG1      GLN   3 -15.420  -2.381   5.736
   17   HE21  GLN   3          HE21      GLN   3 -13.208  -2.975   7.438
   18   HE22  GLN   3          HE22      GLN   3 -12.088  -1.656   7.320
   19    H    LYS   4           HN       LYS   4 -16.322  -6.829   7.110
   20    HA   LYS   4           HA       LYS   4 -14.584  -8.908   6.398
   21    HB2  LYS   4           HB2      LYS   4 -16.118  -8.592   8.470
   22    HB3  LYS   4           HB1      LYS   4 -17.362  -9.330   7.475
   23    HG2  LYS   4           HG2      LYS   4 -14.722 -10.656   8.010
   24    HG3  LYS   4           HG1      LYS   4 -16.125 -10.854   9.057
   25    HD2  LYS   4           HD2      LYS   4 -17.402 -11.709   7.120
   26    HD3  LYS   4           HD1      LYS   4 -15.942 -11.582   6.134
   27    HE2  LYS   4           HE2      LYS   4 -16.307 -13.302   8.586
   28    HE3  LYS   4           HE1      LYS   4 -16.257 -13.863   6.917
   29    HZ1  LYS   4           HZ1      LYS   4 -13.982 -13.062   6.759
   30    HZ2  LYS   4           HZ2      LYS   4 -14.143 -14.197   7.996
   31    HZ3  LYS   4           HZ3      LYS   4 -14.028 -12.554   8.372
   32    H    ALA   5           HN       ALA   5 -17.900  -8.140   5.361
   33    HA   ALA   5           HA       ALA   5 -17.798 -10.215   3.325
   34    HB1  ALA   5           HB1      ALA   5 -19.972  -8.224   3.955
   35    HB2  ALA   5           HB2      ALA   5 -19.884  -9.879   4.555
   36    HB3  ALA   5           HB3      ALA   5 -20.102  -9.577   2.832
   37    H    LEU   6           HN       LEU   6 -17.394  -6.816   3.639
   38    HA   LEU   6           HA       LEU   6 -17.888  -6.202   0.878
   39    HB2  LEU   6           HB2      LEU   6 -16.583  -4.493   2.994
   40    HB3  LEU   6           HB1      LEU   6 -17.242  -3.943   1.463
   41    HG   LEU   6           HG       LEU   6 -18.881  -5.181   3.676
   42   HD11  LEU   6          HD11      LEU   6 -17.987  -3.028   4.368
   43   HD12  LEU   6          HD12      LEU   6 -19.721  -2.925   4.072
   44   HD13  LEU   6          HD13      LEU   6 -18.586  -2.290   2.884
   45   HD21  LEU   6          HD21      LEU   6 -19.826  -5.517   1.457
   46   HD22  LEU   6          HD22      LEU   6 -19.695  -3.790   1.128
   47   HD23  LEU   6          HD23      LEU   6 -20.788  -4.367   2.385
   48    H    GLU   7           HN       GLU   7 -16.394  -5.638  -0.689
   49    HA   GLU   7           HA       GLU   7 -14.024  -7.246  -0.546
   50    HB2  GLU   7           HB2      GLU   7 -15.059  -5.472  -2.760
   51    HB3  GLU   7           HB1      GLU   7 -13.715  -6.590  -2.912
   52    HG2  GLU   7           HG2      GLU   7 -15.567  -7.659  -3.877
   53    HG3  GLU   7           HG1      GLU   7 -15.328  -8.430  -2.312
   54    H    GLU   8           HN       GLU   8 -14.129  -4.687   1.087
   55    HA   GLU   8           HA       GLU   8 -12.199  -2.988  -0.224
   56    HB2  GLU   8           HB2      GLU   8 -13.449  -2.835   2.530
   57    HB3  GLU   8           HB1      GLU   8 -12.479  -1.574   1.774
   58    HG2  GLU   8           HG2      GLU   8 -14.125  -1.182   0.112
   59    HG3  GLU   8           HG1      GLU   8 -15.026  -2.624   0.572
   60    H    GLN   9           HN       GLN   9 -12.404  -5.247   2.449
   61    HA   GLN   9           HA       GLN   9  -9.493  -5.026   2.851
   62    HB2  GLN   9           HB2      GLN   9 -11.591  -6.071   4.758
   63    HB3  GLN   9           HB1      GLN   9  -9.867  -5.995   5.084
   64    HG2  GLN   9           HG2      GLN   9 -11.774  -3.703   4.730
   65    HG3  GLN   9           HG1      GLN   9 -10.904  -4.172   6.189
   66   HE21  GLN   9          HE21      GLN   9 -10.737  -2.589   3.130
   67   HE22  GLN   9          HE22      GLN   9  -9.176  -1.871   3.348
   68    H    MET  10           HN       MET  10 -11.223  -6.722   0.958
   69    HA   MET  10           HA       MET  10 -10.628  -9.407   1.911
   70    HB2  MET  10           HB2      MET  10 -12.147  -8.400  -0.493
   71    HB3  MET  10           HB1      MET  10 -11.844 -10.102  -0.189
   72    HG2  MET  10           HG2      MET  10 -13.418  -8.228   1.561
   73    HG3  MET  10           HG1      MET  10 -14.067  -9.497   0.526
   74    HE1  MET  10           HE1      MET  10 -13.240  -8.571   4.035
   75    HE2  MET  10           HE2      MET  10 -11.574  -8.861   3.539
   76    HE3  MET  10           HE3      MET  10 -12.339  -9.922   4.719
   77    H    ASN  11           HN       ASN  11 -10.405 -10.451  -0.842
   78    HA   ASN  11           HA       ASN  11  -7.686 -10.854  -0.918
   79    HB2  ASN  11           HB2      ASN  11  -9.668 -11.006  -3.188
   80    HB3  ASN  11           HB1      ASN  11  -8.032 -11.648  -3.255
   81   HD21  ASN  11          HD21      ASN  11  -8.022 -12.569  -0.507
   82   HD22  ASN  11          HD22      ASN  11  -9.053 -13.954  -0.453
   83    H    SER  12           HN       SER  12  -9.511  -8.244  -2.299
   84    HA   SER  12           HA       SER  12  -7.871  -7.177  -4.194
   85    HB2  SER  12           HB2      SER  12  -9.361  -5.635  -2.055
   86    HB3  SER  12           HB1      SER  12  -8.846  -5.005  -3.624
   87    HG   SER  12           HG       SER  12 -10.808  -5.632  -4.147
   88    H    ILE  13           HN       ILE  13  -7.631  -6.514  -0.671
   89    HA   ILE  13           HA       ILE  13  -5.050  -5.245  -1.152
   90    HB   ILE  13           HB       ILE  13  -5.032  -4.602   1.176
   91   HG12  ILE  13          HG12      ILE  13  -7.742  -5.851   1.551
   92   HG13  ILE  13          HG11      ILE  13  -6.266  -6.752   1.892
   93   HG21  ILE  13          HG21      ILE  13  -6.212  -3.146  -0.347
   94   HG22  ILE  13          HG22      ILE  13  -7.022  -3.160   1.221
   95   HG23  ILE  13          HG23      ILE  13  -7.696  -4.076  -0.130
   96   HD11  ILE  13          HD11      ILE  13  -5.597  -5.047   3.493
   97   HD12  ILE  13          HD12      ILE  13  -7.163  -5.750   3.904
   98   HD13  ILE  13          HD13      ILE  13  -7.080  -4.152   3.160
   99    H    ASN  14           HN       ASN  14  -6.289  -8.292  -0.098
  100    HA   ASN  14           HA       ASN  14  -4.149  -8.983   1.649
  101    HB2  ASN  14           HB2      ASN  14  -6.099 -10.735   0.199
  102    HB3  ASN  14           HB1      ASN  14  -4.995 -11.302   1.435
  103   HD21  ASN  14          HD21      ASN  14  -5.321  -8.809   2.997
  104   HD22  ASN  14          HD22      ASN  14  -6.865  -8.954   3.761
  105    H    SER  15           HN       SER  15  -4.787  -9.677  -1.775
  106    HA   SER  15           HA       SER  15  -2.506 -11.267  -2.225
  107    HB2  SER  15           HB2      SER  15  -2.774 -10.421  -4.640
  108    HB3  SER  15           HB1      SER  15  -4.201 -11.191  -3.936
  109    HG   SER  15           HG       SER  15  -5.236  -9.374  -4.118
  110    H    VAL  16           HN       VAL  16  -3.057  -7.852  -2.019
  111    HA   VAL  16           HA       VAL  16  -0.464  -6.984  -2.761
  112    HB   VAL  16           HB       VAL  16  -2.520  -5.646  -0.976
  113   HG11  VAL  16          HG11      VAL  16  -0.091  -4.536  -2.380
  114   HG12  VAL  16          HG12      VAL  16  -0.337  -4.682  -0.638
  115   HG13  VAL  16          HG13      VAL  16  -1.330  -3.570  -1.580
  116   HG21  VAL  16          HG21      VAL  16  -1.994  -5.354  -3.935
  117   HG22  VAL  16          HG22      VAL  16  -3.124  -4.385  -2.991
  118   HG23  VAL  16          HG23      VAL  16  -3.402  -6.114  -3.195
  119    H    ASN  17           HN       ASN  17  -1.984  -7.957   0.296
  120    HA   ASN  17           HA       ASN  17   0.049  -6.988   2.009
  121    HB2  ASN  17           HB2      ASN  17  -1.868  -9.295   2.427
  122    HB3  ASN  17           HB1      ASN  17  -0.873  -8.576   3.687
  123   HD21  ASN  17          HD21      ASN  17  -1.241  -5.866   2.589
  124   HD22  ASN  17          HD22      ASN  17  -2.855  -5.409   3.023
  125    H    ASP  18           HN       ASP  18  -0.487 -10.194   0.600
  126    HA   ASP  18           HA       ASP  18   1.856 -11.358   1.720
  127    HB2  ASP  18           HB2      ASP  18  -0.100 -12.166  -0.391
  128    HB3  ASP  18           HB1      ASP  18   1.419 -13.049  -0.251
  129    H    LYS  19           HN       LYS  19   1.394  -9.227  -0.872
  130    HA   LYS  19           HA       LYS  19   3.711 -10.151  -2.371
  131    HB2  LYS  19           HB2      LYS  19   1.728  -9.385  -3.586
  132    HB3  LYS  19           HB1      LYS  19   1.840  -7.814  -2.810
  133    HG2  LYS  19           HG2      LYS  19   3.990  -7.433  -3.910
  134    HG3  LYS  19           HG1      LYS  19   3.852  -9.003  -4.707
  135    HD2  LYS  19           HD2      LYS  19   1.790  -6.827  -5.004
  136    HD3  LYS  19           HD1      LYS  19   3.182  -6.973  -6.075
  137    HE2  LYS  19           HE2      LYS  19   1.491  -8.084  -7.223
  138    HE3  LYS  19           HE1      LYS  19   2.382  -9.389  -6.450
  139    HZ1  LYS  19           HZ1      LYS  19  -0.066  -9.584  -6.294
  140    HZ2  LYS  19           HZ2      LYS  19  -0.096  -8.192  -5.340
  141    HZ3  LYS  19           HZ3      LYS  19   0.698  -9.578  -4.789
  142    H    LEU  20           HN       LEU  20   2.686  -7.522  -0.311
  143    HA   LEU  20           HA       LEU  20   5.092  -5.982  -0.686
  144    HB2  LEU  20           HB2      LEU  20   2.833  -5.691   1.289
  145    HB3  LEU  20           HB1      LEU  20   4.078  -4.489   0.983
  146    HG   LEU  20           HG       LEU  20   1.842  -5.368  -0.828
  147   HD11  LEU  20          HD11      LEU  20   2.685  -2.638   0.113
  148   HD12  LEU  20          HD12      LEU  20   1.386  -3.598   0.821
  149   HD13  LEU  20          HD13      LEU  20   1.260  -3.035  -0.846
  150   HD21  LEU  20          HD21      LEU  20   2.797  -3.967  -2.571
  151   HD22  LEU  20          HD22      LEU  20   3.865  -5.311  -2.170
  152   HD23  LEU  20          HD23      LEU  20   4.226  -3.690  -1.576
  153    H    ASN  21           HN       ASN  21   3.807  -8.195   1.713
  154    HA   ASN  21           HA       ASN  21   6.042  -7.805   3.497
  155    HB2  ASN  21           HB2      ASN  21   3.707  -9.714   3.438
  156    HB3  ASN  21           HB1      ASN  21   5.045  -9.953   4.560
  157   HD21  ASN  21          HD21      ASN  21   2.369  -7.863   3.682
  158   HD22  ASN  21          HD22      ASN  21   2.326  -6.993   5.178
  159    H    LYS  22           HN       LYS  22   7.435  -8.135   1.469
  160    HA   LYS  22           HA       LYS  22   7.710 -10.915   0.669
  161    HB2  LYS  22           HB2      LYS  22   9.565  -9.710  -0.842
  162    HB3  LYS  22           HB1      LYS  22   7.865  -9.791  -1.279
  163    HG2  LYS  22           HG2      LYS  22   8.580  -7.581  -1.682
  164    HG3  LYS  22           HG1      LYS  22   7.581  -7.533  -0.233
  165    HD2  LYS  22           HD2      LYS  22   9.620  -7.502   1.147
  166    HD3  LYS  22           HD1      LYS  22  10.599  -7.507  -0.322
  167    HE2  LYS  22           HE2      LYS  22   8.580  -5.399   0.391
  168    HE3  LYS  22           HE1      LYS  22  10.305  -5.245   0.659
  169    HZ1  LYS  22           HZ1      LYS  22  10.692  -5.286  -1.663
  170    HZ2  LYS  22           HZ2      LYS  22   9.432  -4.176  -1.411
  171    HZ3  LYS  22           HZ3      LYS  22   9.098  -5.724  -2.004
  172    H    GLY  23           HN       GLY  23   9.380  -8.644   2.681
  173    HA2  GLY  23           HA2      GLY  23  10.862 -10.284   4.149
  174    HA3  GLY  23           HA1      GLY  23  11.802 -10.275   2.660
  175    H    LYS  24           HN       LYS  24  12.554  -8.163   1.878
  176    HA   LYS  24           HA       LYS  24  13.467  -6.535   4.096
  177    HB2  LYS  24           HB2      LYS  24  14.198  -6.828   1.241
  178    HB3  LYS  24           HB1      LYS  24  14.431  -5.230   1.937
  179    HG2  LYS  24           HG2      LYS  24  16.447  -6.643   2.046
  180    HG3  LYS  24           HG1      LYS  24  15.878  -6.133   3.638
  181    HD2  LYS  24           HD2      LYS  24  16.470  -8.448   3.774
  182    HD3  LYS  24           HD1      LYS  24  14.705  -8.320   3.841
  183    HE2  LYS  24           HE2      LYS  24  14.568  -8.896   1.476
  184    HE3  LYS  24           HE1      LYS  24  16.325  -8.987   1.378
  185    HZ1  LYS  24           HZ1      LYS  24  15.351 -11.172   1.596
  186    HZ2  LYS  24           HZ2      LYS  24  14.583 -10.729   3.034
  187    HZ3  LYS  24           HZ3      LYS  24  16.270 -10.810   2.966
  188    H    GLY  25           HN       GLY  25  11.775  -5.460   4.855
  189    HA2  GLY  25           HA2      GLY  25  10.428  -3.524   4.898
  190    HA3  GLY  25           HA1      GLY  25  10.629  -3.379   3.165
  191    H    LYS  26           HN       LYS  26   8.263  -3.451   5.046
  192    HA   LYS  26           HA       LYS  26   6.656  -5.193   3.374
  193    HB2  LYS  26           HB2      LYS  26   5.699  -6.258   5.530
  194    HB3  LYS  26           HB1      LYS  26   7.238  -6.842   4.896
  195    HG2  LYS  26           HG2      LYS  26   8.208  -4.995   6.498
  196    HG3  LYS  26           HG1      LYS  26   6.673  -5.262   7.343
  197    HD2  LYS  26           HD2      LYS  26   8.319  -6.717   8.303
  198    HD3  LYS  26           HD1      LYS  26   7.208  -7.709   7.358
  199    HE2  LYS  26           HE2      LYS  26   8.778  -7.857   5.554
  200    HE3  LYS  26           HE1      LYS  26   9.849  -6.684   6.321
  201    HZ1  LYS  26           HZ1      LYS  26  10.663  -8.924   6.633
  202    HZ2  LYS  26           HZ2      LYS  26   9.203  -9.401   7.339
  203    HZ3  LYS  26           HZ3      LYS  26  10.193  -8.280   8.127
  204    H    LEU  27           HN       LEU  27   4.621  -4.479   3.128
  205    HA   LEU  27           HA       LEU  27   3.756  -2.237   4.836
  206    HB2  LEU  27           HB2      LEU  27   2.875  -2.845   2.002
  207    HB3  LEU  27           HB1      LEU  27   2.392  -1.461   2.965
  208    HG   LEU  27           HG       LEU  27   4.909  -0.851   2.953
  209   HD11  LEU  27          HD11      LEU  27   5.700  -2.991   2.037
  210   HD12  LEU  27          HD12      LEU  27   6.154  -1.622   1.024
  211   HD13  LEU  27          HD13      LEU  27   4.817  -2.665   0.545
  212   HD21  LEU  27          HD21      LEU  27   3.183   0.431   1.816
  213   HD22  LEU  27          HD22      LEU  27   3.242  -0.678   0.446
  214   HD23  LEU  27          HD23      LEU  27   4.639   0.329   0.826
  215    H    SER  28           HN       SER  28   2.077  -2.690   6.124
  216    HA   SER  28           HA       SER  28   0.351  -4.981   5.453
  217    HB2  SER  28           HB2      SER  28   1.601  -4.804   7.696
  218    HB3  SER  28           HB1      SER  28   0.467  -3.521   8.098
  219    HG   SER  28           HG       SER  28  -0.602  -5.210   8.833
  220    H    LEU  29           HN       LEU  29  -1.535  -4.378   4.471
  221    HA   LEU  29           HA       LEU  29  -2.450  -1.625   4.768
  222    HB2  LEU  29           HB2      LEU  29  -3.581  -3.788   3.006
  223    HB3  LEU  29           HB1      LEU  29  -3.939  -2.071   2.922
  224    HG   LEU  29           HG       LEU  29  -1.369  -3.451   2.171
  225   HD11  LEU  29          HD11      LEU  29  -1.830  -2.396  -0.007
  226   HD12  LEU  29          HD12      LEU  29  -3.364  -1.805   0.629
  227   HD13  LEU  29          HD13      LEU  29  -3.080  -3.539   0.482
  228   HD21  LEU  29          HD21      LEU  29  -0.495  -1.225   1.624
  229   HD22  LEU  29          HD22      LEU  29  -0.790  -1.416   3.352
  230   HD23  LEU  29          HD23      LEU  29  -1.921  -0.493   2.361
  231    H    SER  30           HN       SER  30  -3.964  -1.008   6.082
  232    HA   SER  30           HA       SER  30  -6.203  -2.786   6.522
  233    HB2  SER  30           HB2      SER  30  -4.778  -1.406   8.811
  234    HB3  SER  30           HB1      SER  30  -6.205  -2.438   8.940
  235    HG   SER  30           HG       SER  30  -4.521  -3.923   7.694
  236    H    MET  31           HN       MET  31  -8.144  -1.732   6.650
  237    HA   MET  31           HA       MET  31  -8.063   1.215   6.636
  238    HB2  MET  31           HB2      MET  31  -9.730  -0.565   4.851
  239    HB3  MET  31           HB1      MET  31  -9.865   1.186   4.945
  240    HG2  MET  31           HG2      MET  31  -7.608   1.431   4.120
  241    HG3  MET  31           HG1      MET  31  -7.412  -0.321   4.078
  242    HE1  MET  31           HE1      MET  31 -10.331   2.026   1.395
  243    HE2  MET  31           HE2      MET  31  -9.293   2.763   2.617
  244    HE3  MET  31           HE3      MET  31 -10.633   1.726   3.106
  245    H    ASN  32           HN       ASN  32  -9.757   2.266   7.588
  246    HA   ASN  32           HA       ASN  32 -12.044   0.747   8.531
  247    HB2  ASN  32           HB2      ASN  32 -10.403   0.546  10.368
  248    HB3  ASN  32           HB1      ASN  32 -10.284   2.304  10.441
  249   HD21  ASN  32          HD21      ASN  32 -13.301   0.602   9.880
  250   HD22  ASN  32          HD22      ASN  32 -14.017   1.001  11.407
  251    H    GLY  33           HN       GLY  33 -13.257   1.990   7.127
  252    HA2  GLY  33           HA2      GLY  33 -14.717   3.699   6.681
  253    HA3  GLY  33           HA1      GLY  33 -14.249   4.422   8.215
  254    H    ASN  34           HN       ASN  34 -12.589   5.977   8.248
  255    HA   ASN  34           HA       ASN  34 -12.131   7.179   5.610
  256    HB2  ASN  34           HB2      ASN  34 -11.838   9.307   6.814
  257    HB3  ASN  34           HB1      ASN  34 -13.404   8.585   7.163
  258   HD21  ASN  34          HD21      ASN  34 -10.091   8.780   8.406
  259   HD22  ASN  34          HD22      ASN  34 -10.541   8.775  10.089
  260    H    GLN  35           HN       GLN  35 -10.414   5.079   6.751
  261    HA   GLN  35           HA       GLN  35  -7.950   6.598   7.007
  262    HB2  GLN  35           HB2      GLN  35  -8.676   6.317   9.291
  263    HB3  GLN  35           HB1      GLN  35  -8.903   4.586   9.040
  264    HG2  GLN  35           HG2      GLN  35  -6.465   4.417   8.547
  265    HG3  GLN  35           HG1      GLN  35  -6.311   6.110   9.026
  266   HE21  GLN  35          HE21      GLN  35  -6.550   6.674  11.179
  267   HE22  GLN  35          HE22      GLN  35  -6.500   5.500  12.453
  268    H    LEU  36           HN       LEU  36  -6.286   5.730   6.081
  269    HA   LEU  36           HA       LEU  36  -6.152   2.824   5.694
  270    HB2  LEU  36           HB2      LEU  36  -6.368   4.088   3.554
  271    HB3  LEU  36           HB1      LEU  36  -4.940   5.007   3.968
  272    HG   LEU  36           HG       LEU  36  -4.593   3.215   2.246
  273   HD11  LEU  36          HD11      LEU  36  -2.498   2.373   3.156
  274   HD12  LEU  36          HD12      LEU  36  -2.969   2.935   4.761
  275   HD13  LEU  36          HD13      LEU  36  -2.701   4.098   3.462
  276   HD21  LEU  36          HD21      LEU  36  -5.109   1.398   4.587
  277   HD22  LEU  36          HD22      LEU  36  -4.335   0.894   3.086
  278   HD23  LEU  36          HD23      LEU  36  -5.999   1.474   3.067
  279    H    LYS  37           HN       LYS  37  -4.755   2.068   7.167
  280    HA   LYS  37           HA       LYS  37  -2.286   3.636   7.678
  281    HB2  LYS  37           HB2      LYS  37  -2.273   2.695   9.975
  282    HB3  LYS  37           HB1      LYS  37  -3.626   3.780   9.679
  283    HG2  LYS  37           HG2      LYS  37  -5.164   1.982   9.597
  284    HG3  LYS  37           HG1      LYS  37  -3.865   0.786   9.535
  285    HD2  LYS  37           HD2      LYS  37  -3.160   1.431  11.787
  286    HD3  LYS  37           HD1      LYS  37  -4.445   2.639  11.846
  287    HE2  LYS  37           HE2      LYS  37  -4.871  -0.328  11.529
  288    HE3  LYS  37           HE1      LYS  37  -5.011   0.554  13.047
  289    HZ1  LYS  37           HZ1      LYS  37  -7.176   0.339  12.197
  290    HZ2  LYS  37           HZ2      LYS  37  -6.714   0.797  10.642
  291    HZ3  LYS  37           HZ3      LYS  37  -6.738   1.945  11.885
  292    H    ALA  38           HN       ALA  38  -0.903   2.576   6.488
  293    HA   ALA  38           HA       ALA  38  -0.731  -0.353   6.620
  294    HB1  ALA  38           HB1      ALA  38  -0.707   0.632   4.386
  295    HB2  ALA  38           HB2      ALA  38   0.845  -0.127   4.747
  296    HB3  ALA  38           HB3      ALA  38   0.681   1.627   4.826
  297    H    THR  39           HN       THR  39   0.710  -1.279   7.894
  298    HA   THR  39           HA       THR  39   2.629   0.457   9.233
  299    HB   THR  39           HB       THR  39   2.946  -1.340  10.833
  300    HG1  THR  39           HG1      THR  39   2.548  -2.951   9.033
  301   HG21  THR  39          HG21      THR  39   0.018  -0.936  10.200
  302   HG22  THR  39          HG22      THR  39   1.015   0.097  11.224
  303   HG23  THR  39          HG23      THR  39   0.654  -1.556  11.722
  304    H    SER  40           HN       SER  40   4.657   0.449   8.742
  305    HA   SER  40           HA       SER  40   5.639  -1.522   6.807
  306    HB2  SER  40           HB2      SER  40   7.272   0.455   6.325
  307    HB3  SER  40           HB1      SER  40   5.624   0.511   5.691
  308    HG   SER  40           HG       SER  40   5.134   2.081   7.034
  309    H    SER  41           HN       SER  41   7.145  -2.844   7.485
  310    HA   SER  41           HA       SER  41   8.613  -2.086   9.908
  311    HB2  SER  41           HB2      SER  41   6.899  -3.911  10.171
  312    HB3  SER  41           HB1      SER  41   7.863  -4.891   9.072
  313    HG   SER  41           HG       SER  41   8.310  -4.216  11.719
  314    H    ASN  42           HN       ASN  42  10.418  -4.067  10.036
  315    HA   ASN  42           HA       ASN  42  12.393  -4.877   9.300
  316    HB2  ASN  42           HB2      ASN  42  11.046  -4.785   6.903
  317    HB3  ASN  42           HB1      ASN  42  12.478  -3.811   6.591
  318   HD21  ASN  42          HD21      ASN  42  12.254  -6.540   8.813
  319   HD22  ASN  42          HD22      ASN  42  13.363  -7.557   7.945
  320    H    ALA  43           HN       ALA  43  11.581  -1.919   9.860
  321    HA   ALA  43           HA       ALA  43  12.724  -0.109  10.594
  322    HB1  ALA  43           HB1      ALA  43  14.875  -0.519  11.584
  323    HB2  ALA  43           HB2      ALA  43  15.056  -2.003  10.649
  324    HB3  ALA  43           HB3      ALA  43  13.807  -1.888  11.887
  325    H    GLY  44           HN       GLY  44  12.542  -0.042   7.785
  326    HA2  GLY  44           HA2      GLY  44  13.463   1.972   6.729
  327    HA3  GLY  44           HA1      GLY  44  15.043   1.455   7.293
  328    H    TYR  45           HN       TYR  45  14.506  -1.359   6.497
  329    HA   TYR  45           HA       TYR  45  15.587  -1.287   3.915
  330    HB2  TYR  45           HB2      TYR  45  14.226  -3.468   5.484
  331    HB3  TYR  45           HB1      TYR  45  14.814  -3.743   3.845
  332    HD1  TYR  45           HD1      TYR  45  17.157  -4.022   3.407
  333    HD2  TYR  45           HD2      TYR  45  15.835  -2.905   7.299
  334    HE1  TYR  45           HE1      TYR  45  19.402  -4.465   4.294
  335    HE2  TYR  45           HE2      TYR  45  18.080  -3.349   8.192
  336    HH   TYR  45           HH       TYR  45  20.056  -4.616   7.661
  337    H    GLY  46           HN       GLY  46  14.744  -1.172   1.950
  338    HA2  GLY  46           HA2      GLY  46  11.948  -0.383   1.797
  339    HA3  GLY  46           HA1      GLY  46  13.180  -0.121   0.581
  340    H    ILE  47           HN       ILE  47  13.998  -2.199  -0.455
  341    HA   ILE  47           HA       ILE  47  11.636  -3.845  -1.121
  342    HB   ILE  47           HB       ILE  47  14.018  -3.605  -2.884
  343   HG12  ILE  47          HG12      ILE  47  11.779  -1.624  -2.604
  344   HG13  ILE  47          HG11      ILE  47  13.503  -1.321  -2.463
  345   HG21  ILE  47          HG21      ILE  47  12.328  -5.290  -3.381
  346   HG22  ILE  47          HG22      ILE  47  12.388  -4.060  -4.638
  347   HG23  ILE  47          HG23      ILE  47  11.089  -4.036  -3.448
  348   HD11  ILE  47          HD11      ILE  47  12.134  -2.159  -4.988
  349   HD12  ILE  47          HD12      ILE  47  13.809  -1.648  -4.800
  350   HD13  ILE  47          HD13      ILE  47  12.499  -0.494  -4.545
  351    H    SER  48           HN       SER  48  15.120  -3.907  -1.362
  352    HA   SER  48           HA       SER  48  15.723  -6.194  -0.014
  353    HB2  SER  48           HB2      SER  48  15.859  -7.918  -1.795
  354    HB3  SER  48           HB1      SER  48  14.191  -7.391  -1.507
  355    HG   SER  48           HG       SER  48  15.596  -7.334  -3.782
  356    H    TYR  49           HN       TYR  49  16.391  -5.167  -3.360
  357    HA   TYR  49           HA       TYR  49  18.635  -3.606  -2.778
  358    HB2  TYR  49           HB2      TYR  49  19.448  -6.016  -2.207
  359    HB3  TYR  49           HB1      TYR  49  19.503  -6.231  -3.949
  360    HD1  TYR  49           HD1      TYR  49  20.578  -3.627  -1.472
  361    HD2  TYR  49           HD2      TYR  49  21.641  -5.937  -4.901
  362    HE1  TYR  49           HE1      TYR  49  22.802  -2.587  -1.490
  363    HE2  TYR  49           HE2      TYR  49  23.856  -4.891  -4.912
  364    HH   TYR  49           HH       TYR  49  25.050  -3.052  -2.309
  365    H    GLU  50           HN       GLU  50  16.359  -3.520  -4.472
  366    HA   GLU  50           HA       GLU  50  17.625  -3.259  -7.098
  367    HB2  GLU  50           HB2      GLU  50  15.094  -4.837  -6.587
  368    HB3  GLU  50           HB1      GLU  50  15.657  -4.357  -8.184
  369    HG2  GLU  50           HG2      GLU  50  17.598  -5.732  -7.989
  370    HG3  GLU  50           HG1      GLU  50  17.248  -6.075  -6.292
  371    H    ASP  51           HN       ASP  51  15.854  -2.386  -8.683
  372    HA   ASP  51           HA       ASP  51  14.712   0.019  -7.401
  373    HB2  ASP  51           HB2      ASP  51  15.356  -0.559 -10.320
  374    HB3  ASP  51           HB1      ASP  51  14.743   0.967  -9.690
  375    H    LYS  52           HN       LYS  52  12.493   0.081  -7.219
  376    HA   LYS  52           HA       LYS  52  10.964  -1.596  -9.088
  377    HB2  LYS  52           HB2      LYS  52  10.868  -1.546  -6.151
  378    HB3  LYS  52           HB1      LYS  52   9.304  -1.538  -6.953
  379    HG2  LYS  52           HG2      LYS  52   9.966  -3.796  -6.441
  380    HG3  LYS  52           HG1      LYS  52   9.927  -3.557  -8.185
  381    HD2  LYS  52           HD2      LYS  52  12.355  -3.291  -8.208
  382    HD3  LYS  52           HD1      LYS  52  12.401  -3.512  -6.461
  383    HE2  LYS  52           HE2      LYS  52  12.999  -5.583  -7.518
  384    HE3  LYS  52           HE1      LYS  52  11.417  -5.763  -6.762
  385    HZ1  LYS  52           HZ1      LYS  52  10.398  -5.426  -8.937
  386    HZ2  LYS  52           HZ2      LYS  52  11.441  -6.753  -8.946
  387    HZ3  LYS  52           HZ3      LYS  52  11.927  -5.295  -9.649
  388    H    ASN  53           HN       ASN  53   9.409  -0.756 -10.113
  389    HA   ASN  53           HA       ASN  53   8.687   2.039  -9.758
  390    HB2  ASN  53           HB2      ASN  53   8.999   1.690 -12.002
  391    HB3  ASN  53           HB1      ASN  53   8.539  -0.005 -11.902
  392   HD21  ASN  53          HD21      ASN  53   6.495  -0.600 -12.255
  393   HD22  ASN  53          HD22      ASN  53   5.265   0.475 -12.841
  394    H    TRP  54           HN       TRP  54   6.763   2.696  -8.903
  395    HA   TRP  54           HA       TRP  54   4.896   0.568  -8.142
  396    HB2  TRP  54           HB2      TRP  54   6.778   1.958  -6.524
  397    HB3  TRP  54           HB1      TRP  54   5.130   2.336  -5.992
  398    HD1  TRP  54           HD1      TRP  54   7.567  -0.557  -6.256
  399    HE1  TRP  54           HE1      TRP  54   6.536  -2.555  -4.953
  400    HE3  TRP  54           HE3      TRP  54   3.047   1.420  -5.456
  401    HZ2  TRP  54           HZ2      TRP  54   3.995  -3.143  -3.752
  402    HZ3  TRP  54           HZ3      TRP  54   1.344   0.180  -4.286
  403    HH2  TRP  54           HH2      TRP  54   1.795  -2.076  -3.414
  404    H    GLY  55           HN       GLY  55   2.794   1.302  -7.195
  405    HA2  GLY  55           HA2      GLY  55   2.266   4.097  -7.132
  406    HA3  GLY  55           HA1      GLY  55   1.554   3.339  -8.524
  407    H    ILE  56           HN       ILE  56   0.259   4.745  -6.480
  408    HA   ILE  56           HA       ILE  56  -1.503   2.659  -5.357
  409    HB   ILE  56           HB       ILE  56  -0.872   5.460  -4.470
  410   HG12  ILE  56          HG12      ILE  56  -0.812   4.290  -2.247
  411   HG13  ILE  56          HG11      ILE  56  -0.979   2.769  -3.124
  412   HG21  ILE  56          HG21      ILE  56  -3.311   3.898  -3.636
  413   HG22  ILE  56          HG22      ILE  56  -3.299   5.391  -4.576
  414   HG23  ILE  56          HG23      ILE  56  -2.748   5.400  -2.901
  415   HD11  ILE  56          HD11      ILE  56   1.325   3.238  -2.511
  416   HD12  ILE  56          HD12      ILE  56   1.272   4.745  -3.426
  417   HD13  ILE  56          HD13      ILE  56   1.120   3.198  -4.261
  418    H    PHE  57           HN       PHE  57  -3.617   2.612  -5.933
  419    HA   PHE  57           HA       PHE  57  -4.696   4.878  -7.473
  420    HB2  PHE  57           HB2      PHE  57  -5.515   2.042  -8.076
  421    HB3  PHE  57           HB1      PHE  57  -5.723   3.478  -9.062
  422    HD1  PHE  57           HD1      PHE  57  -3.301   0.979  -7.879
  423    HD2  PHE  57           HD2      PHE  57  -4.041   4.191 -10.567
  424    HE1  PHE  57           HE1      PHE  57  -1.237   0.435  -9.091
  425    HE2  PHE  57           HE2      PHE  57  -1.972   3.653 -11.780
  426    HZ   PHE  57           HZ       PHE  57  -0.574   1.775 -11.036
  427    H    VAL  58           HN       VAL  58  -6.613   5.595  -6.717
  428    HA   VAL  58           HA       VAL  58  -8.049   3.894  -4.788
  429    HB   VAL  58           HB       VAL  58  -8.286   6.873  -5.286
  430   HG11  VAL  58          HG11      VAL  58 -10.454   5.921  -4.694
  431   HG12  VAL  58          HG12      VAL  58  -9.817   6.898  -3.370
  432   HG13  VAL  58          HG13      VAL  58  -9.737   5.138  -3.286
  433   HG21  VAL  58          HG21      VAL  58  -7.254   5.356  -2.892
  434   HG22  VAL  58          HG22      VAL  58  -7.351   7.109  -3.056
  435   HG23  VAL  58          HG23      VAL  58  -6.255   6.185  -4.083
  436    H    ASN  59           HN       ASN  59  -9.732   2.804  -5.577
  437    HA   ASN  59           HA       ASN  59 -11.406   2.131  -6.974
  438    HB2  ASN  59           HB2      ASN  59 -11.707   5.118  -7.353
  439    HB3  ASN  59           HB1      ASN  59 -12.832   3.935  -8.010
  440   HD21  ASN  59          HD21      ASN  59 -13.147   6.096  -6.005
  441   HD22  ASN  59          HD22      ASN  59 -13.830   5.314  -4.619
  442    H    GLY  60           HN       GLY  60  -8.644   2.520  -7.992
  443    HA2  GLY  60           HA2      GLY  60  -7.795   1.702 -10.009
  444    HA3  GLY  60           HA1      GLY  60  -9.335   2.059 -10.776
  445    H    GLU  61           HN       GLU  61  -8.366   4.797  -9.081
  446    HA   GLU  61           HA       GLU  61  -7.117   5.886 -11.519
  447    HB2  GLU  61           HB2      GLU  61  -7.914   8.047 -10.919
  448    HB3  GLU  61           HB1      GLU  61  -9.264   6.943 -10.680
  449    HG2  GLU  61           HG2      GLU  61  -8.485   6.859  -8.239
  450    HG3  GLU  61           HG1      GLU  61  -7.556   8.301  -8.638
  451    H    LYS  62           HN       LYS  62  -5.110   6.721 -11.445
  452    HA   LYS  62           HA       LYS  62  -3.404   5.913  -9.346
  453    HB2  LYS  62           HB2      LYS  62  -2.644   6.078 -11.653
  454    HB3  LYS  62           HB1      LYS  62  -2.933   7.815 -11.633
  455    HG2  LYS  62           HG2      LYS  62  -1.157   8.160 -10.063
  456    HG3  LYS  62           HG1      LYS  62  -0.952   6.418  -9.842
  457    HD2  LYS  62           HD2      LYS  62   0.787   7.270 -11.293
  458    HD3  LYS  62           HD1      LYS  62  -0.296   6.222 -12.210
  459    HE2  LYS  62           HE2      LYS  62   0.225   8.173 -13.527
  460    HE3  LYS  62           HE1      LYS  62  -1.468   8.231 -13.049
  461    HZ1  LYS  62           HZ1      LYS  62  -0.412  10.380 -12.799
  462    HZ2  LYS  62           HZ2      LYS  62   0.746   9.728 -11.756
  463    HZ3  LYS  62           HZ3      LYS  62  -0.879   9.783 -11.288
  464    H    VAL  63           HN       VAL  63  -2.794   6.865  -7.559
  465    HA   VAL  63           HA       VAL  63  -3.478   9.691  -7.150
  466    HB   VAL  63           HB       VAL  63  -3.142   7.512  -5.142
  467   HG11  VAL  63          HG11      VAL  63  -3.840  10.403  -4.697
  468   HG12  VAL  63          HG12      VAL  63  -2.332   9.613  -4.232
  469   HG13  VAL  63          HG13      VAL  63  -3.847   9.144  -3.461
  470   HG21  VAL  63          HG21      VAL  63  -5.546   7.930  -4.695
  471   HG22  VAL  63          HG22      VAL  63  -5.220   7.294  -6.307
  472   HG23  VAL  63          HG23      VAL  63  -5.565   9.009  -6.090
  473    H    TYR  64           HN       TYR  64  -1.134   7.343  -5.846
  474    HA   TYR  64           HA       TYR  64   0.944   9.403  -6.135
  475    HB2  TYR  64           HB2      TYR  64   0.325   9.365  -3.801
  476    HB3  TYR  64           HB1      TYR  64   0.420   7.606  -3.757
  477    HD1  TYR  64           HD1      TYR  64   2.296   6.668  -2.829
  478    HD2  TYR  64           HD2      TYR  64   2.604  10.543  -4.550
  479    HE1  TYR  64           HE1      TYR  64   4.634   6.796  -2.099
  480    HE2  TYR  64           HE2      TYR  64   4.950  10.681  -3.831
  481    HH   TYR  64           HH       TYR  64   6.399   9.674  -2.077
  482    H    THR  65           HN       THR  65   2.986   8.667  -6.701
  483    HA   THR  65           HA       THR  65   3.235   5.771  -7.201
  484    HB   THR  65           HB       THR  65   2.866   7.007  -9.320
  485    HG1  THR  65           HG1      THR  65   4.322   5.127  -9.195
  486   HG21  THR  65          HG21      THR  65   4.631   8.503 -10.176
  487   HG22  THR  65          HG22      THR  65   5.419   8.433  -8.600
  488   HG23  THR  65          HG23      THR  65   3.817   9.153  -8.754
  489    H    PHE  66           HN       PHE  66   5.389   4.904  -6.834
  490    HA   PHE  66           HA       PHE  66   7.413   6.733  -5.874
  491    HB2  PHE  66           HB2      PHE  66   7.545   5.945  -3.608
  492    HB3  PHE  66           HB1      PHE  66   5.915   6.520  -3.925
  493    HD1  PHE  66           HD1      PHE  66   4.032   5.024  -3.795
  494    HD2  PHE  66           HD2      PHE  66   7.999   3.553  -3.335
  495    HE1  PHE  66           HE1      PHE  66   3.149   2.917  -2.873
  496    HE2  PHE  66           HE2      PHE  66   7.118   1.446  -2.427
  497    HZ   PHE  66           HZ       PHE  66   4.693   1.127  -2.186
  498    H    ASN  67           HN       ASN  67   9.212   5.418  -4.703
  499    HA   ASN  67           HA       ASN  67   9.670   2.864  -6.103
  500    HB2  ASN  67           HB2      ASN  67  12.086   3.310  -5.913
  501    HB3  ASN  67           HB1      ASN  67  11.284   4.602  -6.809
  502   HD21  ASN  67          HD21      ASN  67  11.091   6.640  -5.840
  503   HD22  ASN  67          HD22      ASN  67  12.069   7.092  -4.487
  504    H    GLU  68           HN       GLU  68   9.915   1.117  -4.825
  505    HA   GLU  68           HA       GLU  68   9.276   1.306  -2.090
  506    HB2  GLU  68           HB2      GLU  68  10.463  -0.960  -3.672
  507    HB3  GLU  68           HB1      GLU  68  10.133  -1.090  -1.951
  508    HG2  GLU  68           HG2      GLU  68   7.761  -0.611  -2.415
  509    HG3  GLU  68           HG1      GLU  68   8.140  -0.632  -4.142
  510    H    LYS  69           HN       LYS  69  12.335   1.518  -3.676
  511    HA   LYS  69           HA       LYS  69  13.802   0.612  -1.365
  512    HB2  LYS  69           HB2      LYS  69  15.803   0.981  -2.679
  513    HB3  LYS  69           HB1      LYS  69  14.620   0.051  -3.584
  514    HG2  LYS  69           HG2      LYS  69  13.939   2.273  -4.630
  515    HG3  LYS  69           HG1      LYS  69  15.450   2.887  -3.974
  516    HD2  LYS  69           HD2      LYS  69  16.715   1.162  -5.096
  517    HD3  LYS  69           HD1      LYS  69  15.225   0.493  -5.758
  518    HE2  LYS  69           HE2      LYS  69  16.302   1.785  -7.448
  519    HE3  LYS  69           HE1      LYS  69  14.851   2.647  -6.929
  520    HZ1  LYS  69           HZ1      LYS  69  16.805   4.096  -7.192
  521    HZ2  LYS  69           HZ2      LYS  69  17.594   3.248  -5.962
  522    HZ3  LYS  69           HZ3      LYS  69  16.192   4.127  -5.617
  523    H    SER  70           HN       SER  70  12.211   3.359  -1.713
  524    HA   SER  70           HA       SER  70  14.217   5.072  -0.680
  525    HB2  SER  70           HB2      SER  70  11.210   5.243  -0.328
  526    HB3  SER  70           HB1      SER  70  12.351   6.504   0.133
  527    HG   SER  70           HG       SER  70  12.406   5.545  -2.502
  528    H    THR  71           HN       THR  71  11.810   5.271   1.612
  529    HA   THR  71           HA       THR  71  12.640   2.894   3.100
  530    HB   THR  71           HB       THR  71  12.098   4.491   5.170
  531    HG1  THR  71           HG1      THR  71  13.325   6.336   3.393
  532   HG21  THR  71          HG21      THR  71  14.493   4.939   5.412
  533   HG22  THR  71          HG22      THR  71  14.744   4.544   3.713
  534   HG23  THR  71          HG23      THR  71  14.213   3.295   4.839
  535    H    VAL  72           HN       VAL  72  10.923   1.686   3.614
  536    HA   VAL  72           HA       VAL  72   8.449   2.253   2.461
  537    HB   VAL  72           HB       VAL  72   8.715   0.248   4.685
  538   HG11  VAL  72          HG11      VAL  72   7.185  -1.045   3.304
  539   HG12  VAL  72          HG12      VAL  72   7.207   0.223   2.076
  540   HG13  VAL  72          HG13      VAL  72   6.522   0.548   3.670
  541   HG21  VAL  72          HG21      VAL  72   9.544  -1.365   2.984
  542   HG22  VAL  72          HG22      VAL  72  10.701  -0.100   3.392
  543   HG23  VAL  72          HG23      VAL  72   9.792  -0.010   1.882
  544    H    GLY  73           HN       GLY  73   9.664   3.068   5.577
  545    HA2  GLY  73           HA2      GLY  73   7.078   3.264   6.852
  546    HA3  GLY  73           HA1      GLY  73   8.617   3.817   7.513
  547    H    ASN  74           HN       ASN  74   9.345   5.445   5.336
  548    HA   ASN  74           HA       ASN  74   7.825   7.793   5.942
  549    HB2  ASN  74           HB2      ASN  74  10.133   7.259   4.068
  550    HB3  ASN  74           HB1      ASN  74   9.398   8.850   4.261
  551   HD21  ASN  74          HD21      ASN  74  12.060   7.462   4.992
  552   HD22  ASN  74          HD22      ASN  74  12.335   8.011   6.619
  553    H    ILE  75           HN       ILE  75   8.022   5.475   3.342
  554    HA   ILE  75           HA       ILE  75   6.443   6.938   1.476
  555    HB   ILE  75           HB       ILE  75   6.816   3.945   1.689
  556   HG12  ILE  75          HG12      ILE  75   8.293   5.924  -0.062
  557   HG13  ILE  75          HG11      ILE  75   8.944   5.230   1.425
  558   HG21  ILE  75          HG21      ILE  75   5.866   5.659  -0.600
  559   HG22  ILE  75          HG22      ILE  75   4.883   4.548   0.353
  560   HG23  ILE  75          HG23      ILE  75   6.170   3.923  -0.678
  561   HD11  ILE  75          HD11      ILE  75   8.141   3.687  -1.030
  562   HD12  ILE  75          HD12      ILE  75   8.820   3.006   0.447
  563   HD13  ILE  75          HD13      ILE  75   9.788   4.086  -0.554
  564    H    SER  76           HN       SER  76   5.677   4.113   3.507
  565    HA   SER  76           HA       SER  76   2.982   4.050   2.759
  566    HB2  SER  76           HB2      SER  76   4.118   2.873   5.280
  567    HB3  SER  76           HB1      SER  76   2.687   2.339   4.395
  568    HG   SER  76           HG       SER  76   5.409   2.099   3.677
  569    H    ASN  77           HN       ASN  77   4.466   5.235   5.736
  570    HA   ASN  77           HA       ASN  77   1.866   5.776   6.772
  571    HB2  ASN  77           HB2      ASN  77   4.577   6.031   7.940
  572    HB3  ASN  77           HB1      ASN  77   3.258   6.959   8.666
  573   HD21  ASN  77          HD21      ASN  77   1.250   5.717   9.168
  574   HD22  ASN  77          HD22      ASN  77   1.412   4.075   9.710
  575    H    ASP  78           HN       ASP  78   4.054   7.730   4.915
  576    HA   ASP  78           HA       ASP  78   2.856  10.222   5.465
  577    HB2  ASP  78           HB2      ASP  78   4.118   9.037   3.044
  578    HB3  ASP  78           HB1      ASP  78   3.097  10.452   2.817
  579    H    ILE  79           HN       ILE  79   1.978   7.678   3.190
  580    HA   ILE  79           HA       ILE  79  -0.445   8.609   2.242
  581    HB   ILE  79           HB       ILE  79   0.342   5.766   2.916
  582   HG12  ILE  79          HG12      ILE  79   0.435   7.229   0.268
  583   HG13  ILE  79          HG11      ILE  79   1.832   6.917   1.300
  584   HG21  ILE  79          HG21      ILE  79  -2.066   5.935   2.703
  585   HG22  ILE  79          HG22      ILE  79  -1.383   5.072   1.323
  586   HG23  ILE  79          HG23      ILE  79  -1.892   6.753   1.148
  587   HD11  ILE  79          HD11      ILE  79   0.092   4.820   0.018
  588   HD12  ILE  79          HD12      ILE  79   1.510   4.522   1.024
  589   HD13  ILE  79          HD13      ILE  79   1.691   5.323  -0.536
  590    H    ASN  80           HN       ASN  80   0.391   7.264   5.329
  591    HA   ASN  80           HA       ASN  80  -2.364   6.744   5.983
  592    HB2  ASN  80           HB2      ASN  80   0.046   6.378   7.768
  593    HB3  ASN  80           HB1      ASN  80  -1.546   5.658   7.979
  594   HD21  ASN  80          HD21      ASN  80   1.105   4.434   7.719
  595   HD22  ASN  80          HD22      ASN  80   1.020   3.356   6.367
  596    H    LYS  81           HN       LYS  81  -0.001   9.210   6.613
  597    HA   LYS  81           HA       LYS  81  -1.276  10.455   8.802
  598    HB2  LYS  81           HB2      LYS  81   0.004  11.932   6.492
  599    HB3  LYS  81           HB1      LYS  81  -0.179  12.493   8.149
  600    HG2  LYS  81           HG2      LYS  81   1.600  10.248   7.229
  601    HG3  LYS  81           HG1      LYS  81   2.117  11.878   7.654
  602    HD2  LYS  81           HD2      LYS  81   1.447  11.551   9.939
  603    HD3  LYS  81           HD1      LYS  81   0.731   9.986   9.547
  604    HE2  LYS  81           HE2      LYS  81   2.911   9.689  10.588
  605    HE3  LYS  81           HE1      LYS  81   2.935   9.140   8.910
  606    HZ1  LYS  81           HZ1      LYS  81   3.941  11.764   9.866
  607    HZ2  LYS  81           HZ2      LYS  81   3.999  11.200   8.275
  608    HZ3  LYS  81           HZ3      LYS  81   4.905  10.433   9.476
  609    H    LEU  82           HN       LEU  82  -1.848  10.343   5.408
  610    HA   LEU  82           HA       LEU  82  -3.620  12.506   5.127
  611    HB2  LEU  82           HB2      LEU  82  -3.764  10.063   3.401
  612    HB3  LEU  82           HB1      LEU  82  -3.911  11.753   2.943
  613    HG   LEU  82           HG       LEU  82  -1.346  10.289   3.665
  614   HD11  LEU  82          HD11      LEU  82  -0.761  10.728   1.336
  615   HD12  LEU  82          HD12      LEU  82  -2.324  11.499   1.067
  616   HD13  LEU  82          HD13      LEU  82  -2.245   9.779   1.443
  617   HD21  LEU  82          HD21      LEU  82  -0.218  12.395   3.071
  618   HD22  LEU  82          HD22      LEU  82  -1.277  12.609   4.464
  619   HD23  LEU  82          HD23      LEU  82  -1.779  13.190   2.876
  620    H    ASN  83           HN       ASN  83  -4.042   9.353   6.409
  621    HA   ASN  83           HA       ASN  83  -5.840   7.913   6.606
  622    HB2  ASN  83           HB2      ASN  83  -6.753  10.509   7.809
  623    HB3  ASN  83           HB1      ASN  83  -7.715   9.039   7.923
  624   HD21  ASN  83          HD21      ASN  83  -5.265   7.345   8.050
  625   HD22  ASN  83          HD22      ASN  83  -4.662   7.543   9.658
  626    H    ILE  84           HN       ILE  84  -6.391   7.357   4.562
  627    HA   ILE  84           HA       ILE  84  -7.780   9.072   2.793
  628    HB   ILE  84           HB       ILE  84  -7.566   6.087   2.541
  629   HG12  ILE  84          HG12      ILE  84  -5.577   8.227   1.757
  630   HG13  ILE  84          HG11      ILE  84  -5.366   7.010   3.027
  631   HG21  ILE  84          HG21      ILE  84  -7.614   6.600   0.130
  632   HG22  ILE  84          HG22      ILE  84  -7.808   8.310   0.510
  633   HG23  ILE  84          HG23      ILE  84  -9.069   7.161   0.956
  634   HD11  ILE  84          HD11      ILE  84  -4.172   6.460   0.934
  635   HD12  ILE  84          HD12      ILE  84  -5.729   6.402   0.097
  636   HD13  ILE  84          HD13      ILE  84  -5.374   5.248   1.381
  637    H    LYS  85           HN       LYS  85  -9.790   9.533   2.771
  638    HA   LYS  85           HA       LYS  85 -11.854   7.896   3.930
  639    HB2  LYS  85           HB2      LYS  85 -13.352   9.674   2.804
  640    HB3  LYS  85           HB1      LYS  85 -12.270  10.200   4.094
  641    HG2  LYS  85           HG2      LYS  85 -11.059  10.349   1.393
  642    HG3  LYS  85           HG1      LYS  85 -12.426  11.447   1.692
  643    HD2  LYS  85           HD2      LYS  85 -11.330  12.443   3.546
  644    HD3  LYS  85           HD1      LYS  85 -10.102  11.177   3.587
  645    HE2  LYS  85           HE2      LYS  85  -9.213  13.234   2.630
  646    HE3  LYS  85           HE1      LYS  85  -9.234  11.935   1.438
  647    HZ1  LYS  85           HZ1      LYS  85 -10.017  13.985   0.469
  648    HZ2  LYS  85           HZ2      LYS  85 -11.211  14.143   1.658
  649    HZ3  LYS  85           HZ3      LYS  85 -11.291  12.877   0.541
  650    H    GLY  86           HN       GLY  86 -10.760   6.192   2.392
  651    HA2  GLY  86           HA2      GLY  86 -12.058   6.273  -0.252
  652    HA3  GLY  86           HA1      GLY  86 -10.514   5.505   0.069
  653    HA   PRO  87           HA       PRO  87 -14.024   2.423   0.821
  654    HB2  PRO  87           HB2      PRO  87 -14.543   1.393  -1.593
  655    HB3  PRO  87           HB1      PRO  87 -15.328   2.882  -1.042
  656    HG2  PRO  87           HG2      PRO  87 -12.987   2.533  -2.873
  657    HG3  PRO  87           HG1      PRO  87 -14.376   3.629  -3.033
  658    HD2  PRO  87           HD2      PRO  87 -11.910   4.383  -2.072
  659    HD3  PRO  87           HD1      PRO  87 -13.429   5.205  -1.659
  660    H    TYR  88           HN       TYR  88 -11.974   1.711  -2.022
  661    HA   TYR  88           HA       TYR  88 -10.433  -0.105  -0.369
  662    HB2  TYR  88           HB2      TYR  88 -10.364  -1.791  -2.173
  663    HB3  TYR  88           HB1      TYR  88 -12.000  -1.546  -1.561
  664    HD1  TYR  88           HD1      TYR  88 -13.601  -0.149  -2.948
  665    HD2  TYR  88           HD2      TYR  88  -9.844  -1.468  -4.441
  666    HE1  TYR  88           HE1      TYR  88 -14.373   0.268  -5.245
  667    HE2  TYR  88           HE2      TYR  88 -10.600  -1.049  -6.741
  668    HH   TYR  88           HH       TYR  88 -12.681  -0.858  -7.990
  669    H    ILE  89           HN       ILE  89  -8.303   0.066  -0.633
  670    HA   ILE  89           HA       ILE  89  -7.408   2.053  -2.594
  671    HB   ILE  89           HB       ILE  89  -5.941   1.110  -0.130
  672   HG12  ILE  89          HG12      ILE  89  -8.116   2.176   0.390
  673   HG13  ILE  89          HG11      ILE  89  -6.741   3.114   0.977
  674   HG21  ILE  89          HG21      ILE  89  -4.618   3.147  -0.448
  675   HG22  ILE  89          HG22      ILE  89  -5.535   3.515  -1.908
  676   HG23  ILE  89          HG23      ILE  89  -4.507   2.082  -1.848
  677   HD11  ILE  89          HD11      ILE  89  -8.384   3.675  -1.485
  678   HD12  ILE  89          HD12      ILE  89  -6.978   4.603  -0.964
  679   HD13  ILE  89          HD13      ILE  89  -8.428   4.562   0.038
  680    H    GLU  90           HN       GLU  90  -6.323   1.419  -4.254
  681    HA   GLU  90           HA       GLU  90  -5.366  -1.320  -4.410
  682    HB2  GLU  90           HB2      GLU  90  -5.613   0.836  -6.497
  683    HB3  GLU  90           HB1      GLU  90  -5.233  -0.851  -6.810
  684    HG2  GLU  90           HG2      GLU  90  -7.751  -0.049  -5.401
  685    HG3  GLU  90           HG1      GLU  90  -7.645  -0.027  -7.165
  686    H    ILE  91           HN       ILE  91  -3.405  -1.434  -3.450
  687    HA   ILE  91           HA       ILE  91  -1.366   0.516  -4.281
  688    HB   ILE  91           HB       ILE  91  -1.360  -1.253  -1.822
  689   HG12  ILE  91          HG12      ILE  91  -2.221   1.605  -2.235
  690   HG13  ILE  91          HG11      ILE  91  -3.111   0.290  -1.472
  691   HG21  ILE  91          HG21      ILE  91   0.446   0.236  -1.051
  692   HG22  ILE  91          HG22      ILE  91   0.425   1.037  -2.621
  693   HG23  ILE  91          HG23      ILE  91   0.876  -0.663  -2.504
  694   HD11  ILE  91          HD11      ILE  91  -0.667   1.651  -0.356
  695   HD12  ILE  91          HD12      ILE  91  -1.564   0.339   0.414
  696   HD13  ILE  91          HD13      ILE  91  -2.335   1.906   0.164
  697    H    LYS  92           HN       LYS  92  -0.283  -0.345  -6.001
  698    HA   LYS  92           HA       LYS  92   1.147  -2.805  -5.687
  699    HB2  LYS  92           HB2      LYS  92   0.160  -4.086  -7.476
  700    HB3  LYS  92           HB1      LYS  92  -1.106  -3.677  -6.325
  701    HG2  LYS  92           HG2      LYS  92  -0.669  -1.923  -8.693
  702    HG3  LYS  92           HG1      LYS  92  -1.512  -3.459  -8.896
  703    HD2  LYS  92           HD2      LYS  92  -2.301  -1.361  -6.881
  704    HD3  LYS  92           HD1      LYS  92  -3.001  -1.484  -8.496
  705    HE2  LYS  92           HE2      LYS  92  -3.059  -3.648  -6.388
  706    HE3  LYS  92           HE1      LYS  92  -4.398  -2.573  -6.786
  707    HZ1  LYS  92           HZ1      LYS  92  -3.136  -4.520  -8.640
  708    HZ2  LYS  92           HZ2      LYS  92  -4.423  -3.491  -9.018
  709    HZ3  LYS  92           HZ3      LYS  92  -4.630  -4.712  -7.870
  710    H    GLN  93           HN       GLN  93   2.622  -3.174  -7.438
  711    HA   GLN  93           HA       GLN  93   3.458  -0.711  -8.648
  712    HB2  GLN  93           HB2      GLN  93   4.988  -2.785  -9.729
  713    HB3  GLN  93           HB1      GLN  93   5.430  -1.668  -8.438
  714    HG2  GLN  93           HG2      GLN  93   4.586  -3.219  -6.775
  715    HG3  GLN  93           HG1      GLN  93   4.037  -4.317  -8.046
  716   HE21  GLN  93          HE21      GLN  93   7.024  -2.560  -8.298
  717   HE22  GLN  93          HE22      GLN  93   8.068  -3.922  -8.097
  718    H    ILE  94           HN       ILE  94   4.191  -0.755 -10.984
  719    HA   ILE  94           HA       ILE  94   1.952  -1.837 -12.560
  720    HB   ILE  94           HB       ILE  94   2.212   0.432 -13.834
  721   HG12  ILE  94          HG12      ILE  94   3.524   0.936 -11.177
  722   HG13  ILE  94          HG11      ILE  94   4.028   1.463 -12.778
  723   HG21  ILE  94          HG21      ILE  94   0.853   0.348 -11.153
  724   HG22  ILE  94          HG22      ILE  94   0.228  -0.406 -12.620
  725   HG23  ILE  94          HG23      ILE  94   0.418   1.345 -12.543
  726   HD11  ILE  94          HD11      ILE  94   1.696   2.540 -11.228
  727   HD12  ILE  94          HD12      ILE  94   2.223   3.085 -12.821
  728   HD13  ILE  94          HD13      ILE  94   3.268   3.312 -11.417
  Start of MODEL   25
    1    H    ASP   1           HT1      ASP   1 -12.163  -7.876 -15.357
    2    HA   ASP   1           HA       ASP   1 -11.667  -8.600 -13.153
    3    HB2  ASP   1           HB2      ASP   1 -10.762  -5.743 -12.786
    4    HB3  ASP   1           HB1      ASP   1 -11.058  -6.852 -11.449
    5    H    ASN   2           HN       ASN   2 -12.912  -7.650 -11.073
    6    HA   ASN   2           HA       ASN   2 -15.436  -6.517 -12.016
    7    HB2  ASN   2           HB2      ASN   2 -15.179  -9.222 -10.692
    8    HB3  ASN   2           HB1      ASN   2 -16.700  -8.352 -10.848
    9   HD21  ASN   2          HD21      ASN   2 -14.294 -10.220 -12.466
   10   HD22  ASN   2          HD22      ASN   2 -15.129 -10.382 -13.970
   11    H    GLN   3           HN       GLN   3 -13.264  -7.320  -9.413
   12    HA   GLN   3           HA       GLN   3 -14.806  -6.327  -7.273
   13    HB2  GLN   3           HB2      GLN   3 -11.902  -6.832  -7.719
   14    HB3  GLN   3           HB1      GLN   3 -12.375  -5.849  -6.342
   15    HG2  GLN   3           HG2      GLN   3 -13.698  -7.614  -5.443
   16    HG3  GLN   3           HG1      GLN   3 -13.453  -8.601  -6.887
   17   HE21  GLN   3          HE21      GLN   3 -12.851  -9.162  -4.087
   18   HE22  GLN   3          HE22      GLN   3 -11.159  -9.513  -4.024
   19    H    LYS   4           HN       LYS   4 -13.475  -4.787  -9.904
   20    HA   LYS   4           HA       LYS   4 -12.754  -2.263  -9.001
   21    HB2  LYS   4           HB2      LYS   4 -12.620  -3.292 -11.346
   22    HB3  LYS   4           HB1      LYS   4 -14.297  -2.802 -11.529
   23    HG2  LYS   4           HG2      LYS   4 -13.631  -0.459 -11.080
   24    HG3  LYS   4           HG1      LYS   4 -11.947  -0.985 -11.056
   25    HD2  LYS   4           HD2      LYS   4 -13.842  -1.295 -13.385
   26    HD3  LYS   4           HD1      LYS   4 -12.604  -0.048 -13.236
   27    HE2  LYS   4           HE2      LYS   4 -10.861  -1.719 -13.254
   28    HE3  LYS   4           HE1      LYS   4 -12.055  -3.014 -13.248
   29    HZ1  LYS   4           HZ1      LYS   4 -11.662  -1.031 -15.419
   30    HZ2  LYS   4           HZ2      LYS   4 -12.825  -2.254 -15.415
   31    HZ3  LYS   4           HZ3      LYS   4 -11.182  -2.650 -15.461
   32    H    ALA   5           HN       ALA   5 -15.905  -3.723  -9.440
   33    HA   ALA   5           HA       ALA   5 -17.298  -1.224  -8.888
   34    HB1  ALA   5           HB1      ALA   5 -18.232  -2.756 -10.553
   35    HB2  ALA   5           HB2      ALA   5 -19.339  -2.531  -9.199
   36    HB3  ALA   5           HB3      ALA   5 -18.382  -4.007  -9.321
   37    H    LEU   6           HN       LEU   6 -15.934  -3.790  -7.210
   38    HA   LEU   6           HA       LEU   6 -17.703  -3.589  -4.906
   39    HB2  LEU   6           HB2      LEU   6 -15.248  -5.302  -5.330
   40    HB3  LEU   6           HB1      LEU   6 -16.367  -5.419  -3.980
   41    HG   LEU   6           HG       LEU   6 -17.010  -6.022  -6.871
   42   HD11  LEU   6          HD11      LEU   6 -16.687  -7.816  -4.474
   43   HD12  LEU   6          HD12      LEU   6 -15.636  -7.741  -5.887
   44   HD13  LEU   6          HD13      LEU   6 -17.290  -8.325  -6.049
   45   HD21  LEU   6          HD21      LEU   6 -18.945  -5.091  -5.764
   46   HD22  LEU   6          HD22      LEU   6 -18.729  -6.186  -4.400
   47   HD23  LEU   6          HD23      LEU   6 -19.163  -6.826  -5.985
   48    H    GLU   7           HN       GLU   7 -15.467  -4.158  -3.025
   49    HA   GLU   7           HA       GLU   7 -14.674  -1.380  -2.670
   50    HB2  GLU   7           HB2      GLU   7 -14.017  -3.655  -0.811
   51    HB3  GLU   7           HB1      GLU   7 -14.081  -1.940  -0.441
   52    HG2  GLU   7           HG2      GLU   7 -16.057  -2.535   0.462
   53    HG3  GLU   7           HG1      GLU   7 -16.612  -2.293  -1.194
   54    H    GLU   8           HN       GLU   8 -13.243  -4.419  -3.525
   55    HA   GLU   8           HA       GLU   8 -11.172  -5.102  -4.125
   56    HB2  GLU   8           HB2      GLU   8 -10.673  -2.137  -4.346
   57    HB3  GLU   8           HB1      GLU   8  -9.448  -3.341  -4.726
   58    HG2  GLU   8           HG2      GLU   8 -11.083  -4.323  -6.358
   59    HG3  GLU   8           HG1      GLU   8 -12.083  -2.898  -6.091
   60    H    GLN   9           HN       GLN   9 -11.810  -3.540  -1.316
   61    HA   GLN   9           HA       GLN   9  -9.125  -3.636  -0.216
   62    HB2  GLN   9           HB2      GLN   9 -11.785  -2.779   0.920
   63    HB3  GLN   9           HB1      GLN   9 -10.288  -2.776   1.848
   64    HG2  GLN   9           HG2      GLN   9  -9.468  -0.964   0.786
   65    HG3  GLN   9           HG1      GLN   9 -10.201  -1.400  -0.756
   66   HE21  GLN   9          HE21      GLN   9 -12.302  -0.786  -1.201
   67   HE22  GLN   9          HE22      GLN   9 -13.112   0.444  -0.282
   68    H    MET  10           HN       MET  10 -10.905  -6.022  -0.988
   69    HA   MET  10           HA       MET  10 -11.037  -7.465   1.531
   70    HB2  MET  10           HB2      MET  10 -11.818  -8.154  -1.302
   71    HB3  MET  10           HB1      MET  10 -11.841  -9.345  -0.010
   72    HG2  MET  10           HG2      MET  10 -13.376  -6.763   0.063
   73    HG3  MET  10           HG1      MET  10 -14.040  -8.296  -0.497
   74    HE1  MET  10           HE1      MET  10 -16.028  -8.142   1.283
   75    HE2  MET  10           HE2      MET  10 -15.387  -6.579   1.787
   76    HE3  MET  10           HE3      MET  10 -15.765  -7.807   2.995
   77    H    ASN  11           HN       ASN  11 -10.379 -10.025   0.004
   78    HA   ASN  11           HA       ASN  11  -7.778 -10.380   0.915
   79    HB2  ASN  11           HB2      ASN  11  -9.211 -11.864  -1.296
   80    HB3  ASN  11           HB1      ASN  11  -7.715 -12.400  -0.540
   81   HD21  ASN  11          HD21      ASN  11 -11.134 -12.051  -0.193
   82   HD22  ASN  11          HD22      ASN  11 -11.290 -12.961   1.268
   83    H    SER  12           HN       SER  12  -8.844  -8.878  -1.985
   84    HA   SER  12           HA       SER  12  -6.674  -9.029  -3.664
   85    HB2  SER  12           HB2      SER  12  -8.021  -6.396  -3.147
   86    HB3  SER  12           HB1      SER  12  -7.540  -7.120  -4.688
   87    HG   SER  12           HG       SER  12  -9.484  -7.884  -4.810
   88    H    ILE  13           HN       ILE  13  -7.142  -6.908  -0.847
   89    HA   ILE  13           HA       ILE  13  -4.587  -5.621  -1.223
   90    HB   ILE  13           HB       ILE  13  -6.578  -4.432  -0.271
   91   HG12  ILE  13          HG12      ILE  13  -4.121  -4.508   1.490
   92   HG13  ILE  13          HG11      ILE  13  -4.318  -3.537   0.033
   93   HG21  ILE  13          HG21      ILE  13  -7.453  -6.183   1.156
   94   HG22  ILE  13          HG22      ILE  13  -7.104  -4.737   2.104
   95   HG23  ILE  13          HG23      ILE  13  -6.005  -6.115   2.162
   96   HD11  ILE  13          HD11      ILE  13  -5.917  -3.268   2.568
   97   HD12  ILE  13          HD12      ILE  13  -6.134  -2.305   1.107
   98   HD13  ILE  13          HD13      ILE  13  -4.631  -2.191   2.022
   99    H    ASN  14           HN       ASN  14  -5.884  -8.256   0.671
  100    HA   ASN  14           HA       ASN  14  -3.717  -8.415   2.523
  101    HB2  ASN  14           HB2      ASN  14  -5.628 -10.574   1.678
  102    HB3  ASN  14           HB1      ASN  14  -4.602 -10.610   3.101
  103   HD21  ASN  14          HD21      ASN  14  -5.083  -9.231   4.842
  104   HD22  ASN  14          HD22      ASN  14  -6.660  -8.547   5.039
  105    H    SER  15           HN       SER  15  -4.521 -10.071  -0.504
  106    HA   SER  15           HA       SER  15  -2.260 -11.712  -0.660
  107    HB2  SER  15           HB2      SER  15  -3.744 -10.344  -2.919
  108    HB3  SER  15           HB1      SER  15  -2.649 -11.717  -3.095
  109    HG   SER  15           HG       SER  15  -4.184 -12.673  -1.409
  110    H    VAL  16           HN       VAL  16  -2.687  -8.303  -1.385
  111    HA   VAL  16           HA       VAL  16  -0.055  -7.878  -2.384
  112    HB   VAL  16           HB       VAL  16  -1.984  -5.925  -1.105
  113   HG11  VAL  16          HG11      VAL  16   0.524  -5.388  -2.694
  114   HG12  VAL  16          HG12      VAL  16   0.311  -5.105  -0.968
  115   HG13  VAL  16          HG13      VAL  16  -0.622  -4.169  -2.135
  116   HG21  VAL  16          HG21      VAL  16  -2.433  -5.223  -3.407
  117   HG22  VAL  16          HG22      VAL  16  -2.842  -6.920  -3.154
  118   HG23  VAL  16          HG23      VAL  16  -1.356  -6.487  -3.998
  119    H    ASN  17           HN       ASN  17  -1.541  -7.905   0.822
  120    HA   ASN  17           HA       ASN  17   0.584  -6.734   2.262
  121    HB2  ASN  17           HB2      ASN  17  -1.699  -8.513   2.953
  122    HB3  ASN  17           HB1      ASN  17  -0.374  -8.427   4.104
  123   HD21  ASN  17          HD21      ASN  17  -2.908  -6.625   2.512
  124   HD22  ASN  17          HD22      ASN  17  -2.912  -5.294   3.627
  125    H    ASP  18           HN       ASP  18  -0.100 -10.128   1.499
  126    HA   ASP  18           HA       ASP  18   2.209 -11.162   2.774
  127    HB2  ASP  18           HB2      ASP  18   0.382 -12.302   0.664
  128    HB3  ASP  18           HB1      ASP  18   1.730 -13.209   1.348
  129    H    LYS  19           HN       LYS  19   1.764  -9.600  -0.237
  130    HA   LYS  19           HA       LYS  19   4.102 -10.797  -1.483
  131    HB2  LYS  19           HB2      LYS  19   2.161 -10.258  -2.873
  132    HB3  LYS  19           HB1      LYS  19   2.254  -8.573  -2.381
  133    HG2  LYS  19           HG2      LYS  19   4.404  -8.355  -3.503
  134    HG3  LYS  19           HG1      LYS  19   4.329 -10.055  -3.985
  135    HD2  LYS  19           HD2      LYS  19   2.321  -9.615  -5.285
  136    HD3  LYS  19           HD1      LYS  19   2.330  -7.930  -4.761
  137    HE2  LYS  19           HE2      LYS  19   4.474  -7.589  -5.878
  138    HE3  LYS  19           HE1      LYS  19   4.487  -9.278  -6.384
  139    HZ1  LYS  19           HZ1      LYS  19   3.727  -7.789  -8.141
  140    HZ2  LYS  19           HZ2      LYS  19   2.440  -7.280  -7.172
  141    HZ3  LYS  19           HZ3      LYS  19   2.520  -8.886  -7.694
  142    H    LEU  20           HN       LEU  20   3.112  -7.809   0.025
  143    HA   LEU  20           HA       LEU  20   5.597  -6.470  -0.430
  144    HB2  LEU  20           HB2      LEU  20   3.352  -5.917   1.502
  145    HB3  LEU  20           HB1      LEU  20   4.692  -4.824   1.184
  146    HG   LEU  20           HG       LEU  20   2.514  -5.658  -0.739
  147   HD11  LEU  20          HD11      LEU  20   3.234  -2.877   0.081
  148   HD12  LEU  20          HD12      LEU  20   2.164  -3.867   1.071
  149   HD13  LEU  20          HD13      LEU  20   1.724  -3.489  -0.592
  150   HD21  LEU  20          HD21      LEU  20   4.613  -5.543  -1.948
  151   HD22  LEU  20          HD22      LEU  20   4.960  -3.964  -1.244
  152   HD23  LEU  20          HD23      LEU  20   3.602  -4.157  -2.353
  153    H    ASN  21           HN       ASN  21   4.210  -8.443   2.116
  154    HA   ASN  21           HA       ASN  21   6.473  -8.130   3.863
  155    HB2  ASN  21           HB2      ASN  21   4.053  -9.911   3.843
  156    HB3  ASN  21           HB1      ASN  21   5.403 -10.280   4.915
  157   HD21  ASN  21          HD21      ASN  21   2.848  -8.033   4.180
  158   HD22  ASN  21          HD22      ASN  21   2.898  -7.182   5.693
  159    H    LYS  22           HN       LYS  22   8.009  -8.510   2.138
  160    HA   LYS  22           HA       LYS  22   8.223 -11.228   1.099
  161    HB2  LYS  22           HB2      LYS  22  10.150 -10.046  -0.217
  162    HB3  LYS  22           HB1      LYS  22   8.472  -9.730  -0.649
  163    HG2  LYS  22           HG2      LYS  22   8.479  -7.650   0.490
  164    HG3  LYS  22           HG1      LYS  22  10.049  -7.984   1.224
  165    HD2  LYS  22           HD2      LYS  22  11.098  -7.902  -0.990
  166    HD3  LYS  22           HD1      LYS  22   9.524  -7.586  -1.724
  167    HE2  LYS  22           HE2      LYS  22  10.891  -5.817   0.314
  168    HE3  LYS  22           HE1      LYS  22  10.866  -5.530  -1.426
  169    HZ1  LYS  22           HZ1      LYS  22   8.426  -5.399  -1.304
  170    HZ2  LYS  22           HZ2      LYS  22   9.181  -4.218  -0.365
  171    HZ3  LYS  22           HZ3      LYS  22   8.511  -5.577   0.381
  172    H    GLY  23           HN       GLY  23   9.102 -10.089   3.899
  173    HA2  GLY  23           HA2      GLY  23  10.775 -10.930   5.344
  174    HA3  GLY  23           HA1      GLY  23  11.700 -11.445   3.931
  175    H    LYS  24           HN       LYS  24  11.977  -9.301   2.439
  176    HA   LYS  24           HA       LYS  24  13.563  -7.398   3.855
  177    HB2  LYS  24           HB2      LYS  24  12.406  -7.409   1.056
  178    HB3  LYS  24           HB1      LYS  24  13.491  -6.148   1.648
  179    HG2  LYS  24           HG2      LYS  24  14.279  -9.046   1.728
  180    HG3  LYS  24           HG1      LYS  24  14.463  -8.088   0.258
  181    HD2  LYS  24           HD2      LYS  24  15.966  -6.590   1.316
  182    HD3  LYS  24           HD1      LYS  24  15.601  -7.231   2.914
  183    HE2  LYS  24           HE2      LYS  24  16.595  -9.385   2.239
  184    HE3  LYS  24           HE1      LYS  24  17.002  -8.686   0.675
  185    HZ1  LYS  24           HZ1      LYS  24  18.028  -7.774   3.308
  186    HZ2  LYS  24           HZ2      LYS  24  18.400  -7.071   1.817
  187    HZ3  LYS  24           HZ3      LYS  24  18.897  -8.651   2.151
  188    H    GLY  25           HN       GLY  25  12.625  -4.982   2.653
  189    HA2  GLY  25           HA2      GLY  25  10.965  -3.892   4.501
  190    HA3  GLY  25           HA1      GLY  25  11.029  -3.347   2.849
  191    H    LYS  26           HN       LYS  26   8.912  -3.766   4.968
  192    HA   LYS  26           HA       LYS  26   7.050  -5.301   3.299
  193    HB2  LYS  26           HB2      LYS  26   6.144  -6.169   5.543
  194    HB3  LYS  26           HB1      LYS  26   7.650  -6.861   4.936
  195    HG2  LYS  26           HG2      LYS  26   8.694  -4.896   6.364
  196    HG3  LYS  26           HG1      LYS  26   7.181  -5.093   7.269
  197    HD2  LYS  26           HD2      LYS  26   8.247  -6.736   8.359
  198    HD3  LYS  26           HD1      LYS  26   8.023  -7.684   6.890
  199    HE2  LYS  26           HE2      LYS  26  10.200  -6.787   6.051
  200    HE3  LYS  26           HE1      LYS  26  10.421  -6.014   7.621
  201    HZ1  LYS  26           HZ1      LYS  26  10.027  -8.933   7.309
  202    HZ2  LYS  26           HZ2      LYS  26  10.500  -8.102   8.702
  203    HZ3  LYS  26           HZ3      LYS  26  11.550  -8.203   7.380
  204    H    LEU  27           HN       LEU  27   5.066  -4.480   3.131
  205    HA   LEU  27           HA       LEU  27   4.447  -2.075   4.711
  206    HB2  LEU  27           HB2      LEU  27   5.114  -1.988   2.122
  207    HB3  LEU  27           HB1      LEU  27   3.424  -2.423   1.916
  208    HG   LEU  27           HG       LEU  27   4.249  -0.015   3.522
  209   HD11  LEU  27          HD11      LEU  27   3.647  -0.163   0.569
  210   HD12  LEU  27          HD12      LEU  27   5.208   0.222   1.292
  211   HD13  LEU  27          HD13      LEU  27   3.843   1.317   1.508
  212   HD21  LEU  27          HD21      LEU  27   1.720  -0.691   2.037
  213   HD22  LEU  27          HD22      LEU  27   2.001   0.709   3.072
  214   HD23  LEU  27          HD23      LEU  27   1.960  -0.913   3.770
  215    H    SER  28           HN       SER  28   3.015  -2.961   6.127
  216    HA   SER  28           HA       SER  28   1.002  -4.843   5.203
  217    HB2  SER  28           HB2      SER  28   1.555  -3.708   7.957
  218    HB3  SER  28           HB1      SER  28   0.389  -4.985   7.597
  219    HG   SER  28           HG       SER  28   1.958  -6.377   7.494
  220    H    LEU  29           HN       LEU  29  -0.613  -3.925   4.112
  221    HA   LEU  29           HA       LEU  29  -1.477  -1.215   4.785
  222    HB2  LEU  29           HB2      LEU  29  -2.708  -2.535   2.477
  223    HB3  LEU  29           HB1      LEU  29  -1.992  -0.936   2.605
  224    HG   LEU  29           HG       LEU  29   0.241  -2.465   2.661
  225   HD11  LEU  29          HD11      LEU  29   0.049  -4.235   1.022
  226   HD12  LEU  29          HD12      LEU  29  -1.675  -3.916   0.845
  227   HD13  LEU  29          HD13      LEU  29  -1.046  -4.539   2.369
  228   HD21  LEU  29          HD21      LEU  29   0.524  -1.880   0.319
  229   HD22  LEU  29          HD22      LEU  29  -0.194  -0.539   1.214
  230   HD23  LEU  29          HD23      LEU  29  -1.203  -1.550   0.180
  231    H    SER  30           HN       SER  30  -3.288  -0.790   5.800
  232    HA   SER  30           HA       SER  30  -5.444  -2.744   5.544
  233    HB2  SER  30           HB2      SER  30  -4.854  -1.036   7.972
  234    HB3  SER  30           HB1      SER  30  -6.184  -2.188   7.818
  235    HG   SER  30           HG       SER  30  -3.413  -2.678   8.027
  236    H    MET  31           HN       MET  31  -7.305  -1.948   4.715
  237    HA   MET  31           HA       MET  31  -7.802   0.943   4.817
  238    HB2  MET  31           HB2      MET  31  -7.711  -0.735   2.302
  239    HB3  MET  31           HB1      MET  31  -8.431   0.866   2.379
  240    HG2  MET  31           HG2      MET  31  -6.387   1.912   2.677
  241    HG3  MET  31           HG1      MET  31  -5.593   0.425   3.190
  242    HE1  MET  31           HE1      MET  31  -8.036   0.392   0.145
  243    HE2  MET  31           HE2      MET  31  -7.002   0.929  -1.177
  244    HE3  MET  31           HE3      MET  31  -7.465   2.058   0.095
  245    H    ASN  32           HN       ASN  32  -9.746   1.087   5.758
  246    HA   ASN  32           HA       ASN  32 -11.987  -0.248   4.481
  247    HB2  ASN  32           HB2      ASN  32 -11.405  -0.570   7.431
  248    HB3  ASN  32           HB1      ASN  32 -12.991  -0.863   6.720
  249   HD21  ASN  32          HD21      ASN  32  -9.811  -2.052   7.203
  250   HD22  ASN  32          HD22      ASN  32 -10.037  -3.597   6.448
  251    H    GLY  33           HN       GLY  33 -13.182   1.433   3.917
  252    HA2  GLY  33           HA2      GLY  33 -14.607   3.209   4.152
  253    HA3  GLY  33           HA1      GLY  33 -14.461   3.021   5.893
  254    H    ASN  34           HN       ASN  34 -13.067   4.367   7.030
  255    HA   ASN  34           HA       ASN  34 -11.675   6.409   5.419
  256    HB2  ASN  34           HB2      ASN  34 -13.811   7.072   6.773
  257    HB3  ASN  34           HB1      ASN  34 -12.746   6.977   8.170
  258   HD21  ASN  34          HD21      ASN  34 -10.431   7.916   6.488
  259   HD22  ASN  34          HD22      ASN  34 -10.693   9.631   6.322
  260    H    GLN  35           HN       GLN  35 -10.611   3.901   6.492
  261    HA   GLN  35           HA       GLN  35  -8.652   5.043   8.366
  262    HB2  GLN  35           HB2      GLN  35  -8.516   3.049   9.609
  263    HB3  GLN  35           HB1      GLN  35 -10.238   3.331   9.379
  264    HG2  GLN  35           HG2      GLN  35 -10.305   1.682   7.608
  265    HG3  GLN  35           HG1      GLN  35  -8.561   1.446   7.734
  266   HE21  GLN  35          HE21      GLN  35  -8.661   1.669  10.686
  267   HE22  GLN  35          HE22      GLN  35  -9.297   0.154  11.241
  268    H    LEU  36           HN       LEU  36  -6.693   5.147   7.557
  269    HA   LEU  36           HA       LEU  36  -5.736   2.824   6.060
  270    HB2  LEU  36           HB2      LEU  36  -6.113   4.717   4.514
  271    HB3  LEU  36           HB1      LEU  36  -4.994   5.680   5.442
  272    HG   LEU  36           HG       LEU  36  -3.156   4.626   4.573
  273   HD11  LEU  36          HD11      LEU  36  -3.666   2.377   5.315
  274   HD12  LEU  36          HD12      LEU  36  -3.149   2.350   3.629
  275   HD13  LEU  36          HD13      LEU  36  -4.859   2.201   4.029
  276   HD21  LEU  36          HD21      LEU  36  -5.239   4.174   2.451
  277   HD22  LEU  36          HD22      LEU  36  -3.497   4.243   2.184
  278   HD23  LEU  36          HD23      LEU  36  -4.362   5.678   2.741
  279    H    LYS  37           HN       LYS  37  -4.408   1.872   7.367
  280    HA   LYS  37           HA       LYS  37  -2.180   3.442   8.484
  281    HB2  LYS  37           HB2      LYS  37  -2.273   1.934  10.513
  282    HB3  LYS  37           HB1      LYS  37  -3.591   3.096  10.395
  283    HG2  LYS  37           HG2      LYS  37  -5.086   1.363   9.598
  284    HG3  LYS  37           HG1      LYS  37  -3.766   0.191   9.615
  285    HD2  LYS  37           HD2      LYS  37  -3.550   0.485  12.036
  286    HD3  LYS  37           HD1      LYS  37  -4.884   1.639  12.013
  287    HE2  LYS  37           HE2      LYS  37  -6.362  -0.123  11.136
  288    HE3  LYS  37           HE1      LYS  37  -5.025  -1.268  11.224
  289    HZ1  LYS  37           HZ1      LYS  37  -6.495  -1.444  13.137
  290    HZ2  LYS  37           HZ2      LYS  37  -6.204   0.174  13.536
  291    HZ3  LYS  37           HZ3      LYS  37  -4.946  -0.954  13.607
  292    H    ALA  38           HN       ALA  38  -0.745   2.713   7.050
  293    HA   ALA  38           HA       ALA  38  -0.344  -0.166   6.774
  294    HB1  ALA  38           HB1      ALA  38   0.882   2.170   5.315
  295    HB2  ALA  38           HB2      ALA  38  -0.395   1.110   4.715
  296    HB3  ALA  38           HB3      ALA  38   1.225   0.473   4.992
  297    H    THR  39           HN       THR  39   1.260  -1.174   7.807
  298    HA   THR  39           HA       THR  39   3.172   0.480   9.297
  299    HB   THR  39           HB       THR  39   3.545  -1.500  10.715
  300    HG1  THR  39           HG1      THR  39   3.032  -3.120   9.195
  301   HG21  THR  39          HG21      THR  39   0.627  -0.777  10.411
  302   HG22  THR  39          HG22      THR  39   1.818   0.112  11.360
  303   HG23  THR  39          HG23      THR  39   1.359  -1.525  11.830
  304    H    SER  40           HN       SER  40   5.380  -0.038   9.251
  305    HA   SER  40           HA       SER  40   6.199  -1.797   7.039
  306    HB2  SER  40           HB2      SER  40   8.015  -0.083   6.599
  307    HB3  SER  40           HB1      SER  40   6.375   0.417   6.166
  308    HG   SER  40           HG       SER  40   6.310   1.446   8.275
  309    H    SER  41           HN       SER  41   8.374  -2.598   7.197
  310    HA   SER  41           HA       SER  41   9.728  -2.211   9.699
  311    HB2  SER  41           HB2      SER  41   8.069  -4.020  10.152
  312    HB3  SER  41           HB1      SER  41   8.840  -4.985   8.898
  313    HG   SER  41           HG       SER  41   9.476  -4.974  11.390
  314    H    ASN  42           HN       ASN  42  11.567  -4.138   9.639
  315    HA   ASN  42           HA       ASN  42  13.500  -4.875   8.732
  316    HB2  ASN  42           HB2      ASN  42  11.954  -4.874   6.452
  317    HB3  ASN  42           HB1      ASN  42  13.307  -3.836   6.013
  318   HD21  ASN  42          HD21      ASN  42  13.417  -6.531   8.283
  319   HD22  ASN  42          HD22      ASN  42  14.475  -7.522   7.328
  320    H    ALA  43           HN       ALA  43  12.672  -1.978   9.431
  321    HA   ALA  43           HA       ALA  43  13.849  -0.134  10.036
  322    HB1  ALA  43           HB1      ALA  43  16.162  -2.053   9.960
  323    HB2  ALA  43           HB2      ALA  43  15.004  -1.899  11.281
  324    HB3  ALA  43           HB3      ALA  43  16.069  -0.552  10.879
  325    H    GLY  44           HN       GLY  44  13.427   0.091   7.357
  326    HA2  GLY  44           HA2      GLY  44  14.270   1.950   6.095
  327    HA3  GLY  44           HA1      GLY  44  15.890   1.538   6.644
  328    H    TYR  45           HN       TYR  45  15.233  -1.367   6.033
  329    HA   TYR  45           HA       TYR  45  16.162  -1.380   3.342
  330    HB2  TYR  45           HB2      TYR  45  15.286  -3.485   5.286
  331    HB3  TYR  45           HB1      TYR  45  15.473  -3.906   3.584
  332    HD1  TYR  45           HD1      TYR  45  17.263  -2.624   6.565
  333    HD2  TYR  45           HD2      TYR  45  17.640  -4.228   2.637
  334    HE1  TYR  45           HE1      TYR  45  19.679  -2.914   6.916
  335    HE2  TYR  45           HE2      TYR  45  20.052  -4.520   2.983
  336    HH   TYR  45           HH       TYR  45  21.831  -3.604   4.365
  337    H    GLY  46           HN       GLY  46  14.959  -0.838   1.697
  338    HA2  GLY  46           HA2      GLY  46  12.086  -0.890   1.789
  339    HA3  GLY  46           HA1      GLY  46  13.092  -0.384   0.446
  340    H    ILE  47           HN       ILE  47  14.040  -1.992  -0.901
  341    HA   ILE  47           HA       ILE  47  12.565  -4.554  -0.928
  342    HB   ILE  47           HB       ILE  47  14.123  -3.289  -3.175
  343   HG12  ILE  47          HG12      ILE  47  11.123  -3.466  -3.057
  344   HG13  ILE  47          HG11      ILE  47  11.977  -2.087  -2.361
  345   HG21  ILE  47          HG21      ILE  47  12.187  -5.607  -3.136
  346   HG22  ILE  47          HG22      ILE  47  13.937  -5.710  -3.326
  347   HG23  ILE  47          HG23      ILE  47  12.958  -4.944  -4.577
  348   HD11  ILE  47          HD11      ILE  47  11.075  -2.039  -4.811
  349   HD12  ILE  47          HD12      ILE  47  12.595  -2.870  -5.153
  350   HD13  ILE  47          HD13      ILE  47  12.603  -1.286  -4.383
  351    H    SER  48           HN       SER  48  15.556  -3.221  -2.133
  352    HA   SER  48           HA       SER  48  17.347  -4.671  -0.656
  353    HB2  SER  48           HB2      SER  48  18.039  -6.400  -2.358
  354    HB3  SER  48           HB1      SER  48  16.451  -6.693  -1.633
  355    HG   SER  48           HG       SER  48  16.066  -6.922  -3.750
  356    H    TYR  49           HN       TYR  49  17.310  -4.483  -4.177
  357    HA   TYR  49           HA       TYR  49  18.789  -1.959  -4.107
  358    HB2  TYR  49           HB2      TYR  49  19.720  -4.425  -5.584
  359    HB3  TYR  49           HB1      TYR  49  20.353  -2.815  -5.878
  360    HD1  TYR  49           HD1      TYR  49  21.096  -1.556  -3.591
  361    HD2  TYR  49           HD2      TYR  49  20.988  -5.790  -4.144
  362    HE1  TYR  49           HE1      TYR  49  22.714  -1.842  -1.770
  363    HE2  TYR  49           HE2      TYR  49  22.603  -6.063  -2.324
  364    HH   TYR  49           HH       TYR  49  24.365  -4.723  -1.198
  365    H    GLU  50           HN       GLU  50  16.771  -4.226  -5.868
  366    HA   GLU  50           HA       GLU  50  16.756  -2.827  -8.334
  367    HB2  GLU  50           HB2      GLU  50  14.738  -4.294  -8.798
  368    HB3  GLU  50           HB1      GLU  50  16.241  -5.133  -8.423
  369    HG2  GLU  50           HG2      GLU  50  15.474  -5.485  -6.133
  370    HG3  GLU  50           HG1      GLU  50  13.974  -4.632  -6.504
  371    H    ASP  51           HN       ASP  51  14.841  -1.941  -9.362
  372    HA   ASP  51           HA       ASP  51  13.482  -0.098  -7.524
  373    HB2  ASP  51           HB2      ASP  51  13.762   0.065 -10.540
  374    HB3  ASP  51           HB1      ASP  51  13.052   1.294  -9.499
  375    H    LYS  52           HN       LYS  52  11.557  -0.918  -6.908
  376    HA   LYS  52           HA       LYS  52   9.853  -2.072  -8.995
  377    HB2  LYS  52           HB2      LYS  52   9.366  -2.010  -6.015
  378    HB3  LYS  52           HB1      LYS  52   8.386  -2.842  -7.216
  379    HG2  LYS  52           HG2      LYS  52  11.094  -3.541  -6.177
  380    HG3  LYS  52           HG1      LYS  52   9.639  -4.520  -6.293
  381    HD2  LYS  52           HD2      LYS  52  11.267  -3.565  -8.643
  382    HD3  LYS  52           HD1      LYS  52  11.388  -5.173  -7.920
  383    HE2  LYS  52           HE2      LYS  52   9.051  -5.609  -8.461
  384    HE3  LYS  52           HE1      LYS  52   8.900  -3.995  -9.149
  385    HZ1  LYS  52           HZ1      LYS  52  10.555  -4.598 -10.809
  386    HZ2  LYS  52           HZ2      LYS  52   9.227  -5.640 -10.867
  387    HZ3  LYS  52           HZ3      LYS  52  10.669  -6.151 -10.155
  388    H    ASN  53           HN       ASN  53   7.872  -1.228  -9.463
  389    HA   ASN  53           HA       ASN  53   7.658   1.607  -8.724
  390    HB2  ASN  53           HB2      ASN  53   6.193   1.615 -10.919
  391    HB3  ASN  53           HB1      ASN  53   7.951   1.711 -10.999
  392   HD21  ASN  53          HD21      ASN  53   5.174  -0.365 -11.402
  393   HD22  ASN  53          HD22      ASN  53   5.979  -1.566 -12.364
  394    H    TRP  54           HN       TRP  54   6.223   1.974  -7.290
  395    HA   TRP  54           HA       TRP  54   3.883   0.235  -7.052
  396    HB2  TRP  54           HB2      TRP  54   5.796   1.246  -5.257
  397    HB3  TRP  54           HB1      TRP  54   4.268   2.063  -4.895
  398    HD1  TRP  54           HD1      TRP  54   5.946  -1.322  -4.734
  399    HE1  TRP  54           HE1      TRP  54   4.409  -2.915  -3.389
  400    HE3  TRP  54           HE3      TRP  54   1.896   1.669  -4.419
  401    HZ2  TRP  54           HZ2      TRP  54   1.737  -2.844  -2.340
  402    HZ3  TRP  54           HZ3      TRP  54  -0.096   0.889  -3.280
  403    HH2  TRP  54           HH2      TRP  54  -0.175  -1.324  -2.233
  404    H    GLY  55           HN       GLY  55   1.806   1.306  -6.291
  405    HA2  GLY  55           HA2      GLY  55   1.691   4.157  -6.330
  406    HA3  GLY  55           HA1      GLY  55   1.041   3.457  -7.783
  407    H    ILE  56           HN       ILE  56  -0.312   5.086  -5.965
  408    HA   ILE  56           HA       ILE  56  -2.451   3.211  -5.151
  409    HB   ILE  56           HB       ILE  56  -1.840   5.946  -3.995
  410   HG12  ILE  56          HG12      ILE  56  -1.660   4.593  -1.864
  411   HG13  ILE  56          HG11      ILE  56  -1.610   3.157  -2.888
  412   HG21  ILE  56          HG21      ILE  56  -4.056   4.017  -3.308
  413   HG22  ILE  56          HG22      ILE  56  -4.244   5.566  -4.129
  414   HG23  ILE  56          HG23      ILE  56  -3.695   5.518  -2.454
  415   HD11  ILE  56          HD11      ILE  56   0.610   3.877  -2.151
  416   HD12  ILE  56          HD12      ILE  56   0.361   5.429  -2.949
  417   HD13  ILE  56          HD13      ILE  56   0.442   3.951  -3.905
  418    H    PHE  57           HN       PHE  57  -4.454   3.514  -6.002
  419    HA   PHE  57           HA       PHE  57  -4.909   5.953  -7.596
  420    HB2  PHE  57           HB2      PHE  57  -5.879   3.202  -8.386
  421    HB3  PHE  57           HB1      PHE  57  -6.011   4.684  -9.317
  422    HD1  PHE  57           HD1      PHE  57  -3.647   2.141  -8.068
  423    HD2  PHE  57           HD2      PHE  57  -4.253   5.425 -10.703
  424    HE1  PHE  57           HE1      PHE  57  -1.524   1.621  -9.194
  425    HE2  PHE  57           HE2      PHE  57  -2.130   4.907 -11.837
  426    HZ   PHE  57           HZ       PHE  57  -0.764   3.002 -11.080
  427    H    VAL  58           HN       VAL  58  -6.459   7.055  -6.593
  428    HA   VAL  58           HA       VAL  58  -8.497   5.778  -4.990
  429    HB   VAL  58           HB       VAL  58  -8.378   8.670  -5.862
  430   HG11  VAL  58          HG11      VAL  58  -9.730   9.077  -3.864
  431   HG12  VAL  58          HG12      VAL  58  -9.754   7.346  -3.532
  432   HG13  VAL  58          HG13      VAL  58 -10.535   7.975  -4.982
  433   HG21  VAL  58          HG21      VAL  58  -7.148   7.376  -3.437
  434   HG22  VAL  58          HG22      VAL  58  -7.305   9.111  -3.681
  435   HG23  VAL  58          HG23      VAL  58  -6.298   8.156  -4.768
  436    H    ASN  59           HN       ASN  59 -10.085   4.696  -6.068
  437    HA   ASN  59           HA       ASN  59 -11.614   4.127  -7.653
  438    HB2  ASN  59           HB2      ASN  59 -11.869   7.137  -7.818
  439    HB3  ASN  59           HB1      ASN  59 -12.934   6.028  -8.671
  440   HD21  ASN  59          HD21      ASN  59 -14.745   6.731  -7.607
  441   HD22  ASN  59          HD22      ASN  59 -15.049   6.383  -5.942
  442    H    GLY  60           HN       GLY  60  -8.811   4.459  -8.449
  443    HA2  GLY  60           HA2      GLY  60  -7.776   3.960 -10.488
  444    HA3  GLY  60           HA1      GLY  60  -9.236   4.472 -11.326
  445    H    GLU  61           HN       GLU  61  -8.225   6.729  -9.004
  446    HA   GLU  61           HA       GLU  61  -7.023   8.396 -11.112
  447    HB2  GLU  61           HB2      GLU  61  -9.048   9.317 -10.046
  448    HB3  GLU  61           HB1      GLU  61  -8.272   9.201  -8.469
  449    HG2  GLU  61           HG2      GLU  61  -6.534  10.786  -9.281
  450    HG3  GLU  61           HG1      GLU  61  -7.473  10.980 -10.764
  451    H    LYS  62           HN       LYS  62  -5.029   9.301 -10.828
  452    HA   LYS  62           HA       LYS  62  -3.214   7.902  -9.152
  453    HB2  LYS  62           HB2      LYS  62  -2.914   9.178 -11.462
  454    HB3  LYS  62           HB1      LYS  62  -2.498  10.521 -10.403
  455    HG2  LYS  62           HG2      LYS  62  -0.468   9.494 -11.009
  456    HG3  LYS  62           HG1      LYS  62  -0.789   9.002  -9.341
  457    HD2  LYS  62           HD2      LYS  62  -1.559   6.851 -10.054
  458    HD3  LYS  62           HD1      LYS  62  -1.515   7.338 -11.749
  459    HE2  LYS  62           HE2      LYS  62   0.870   7.075  -9.922
  460    HE3  LYS  62           HE1      LYS  62   0.389   5.918 -11.161
  461    HZ1  LYS  62           HZ1      LYS  62   1.254   8.722 -11.620
  462    HZ2  LYS  62           HZ2      LYS  62   0.718   7.665 -12.826
  463    HZ3  LYS  62           HZ3      LYS  62   2.139   7.326 -11.978
  464    H    VAL  63           HN       VAL  63  -2.540   8.368  -7.118
  465    HA   VAL  63           HA       VAL  63  -2.902  11.124  -6.167
  466    HB   VAL  63           HB       VAL  63  -4.643   9.997  -5.045
  467   HG11  VAL  63          HG11      VAL  63  -2.697   7.850  -4.247
  468   HG12  VAL  63          HG12      VAL  63  -3.925   7.703  -5.503
  469   HG13  VAL  63          HG13      VAL  63  -4.405   7.928  -3.821
  470   HG21  VAL  63          HG21      VAL  63  -3.310  11.452  -3.602
  471   HG22  VAL  63          HG22      VAL  63  -2.305  10.077  -3.146
  472   HG23  VAL  63          HG23      VAL  63  -4.010  10.109  -2.698
  473    H    TYR  64           HN       TYR  64  -1.298   8.064  -5.143
  474    HA   TYR  64           HA       TYR  64   1.159   9.644  -4.863
  475    HB2  TYR  64           HB2      TYR  64   0.122   9.294  -2.627
  476    HB3  TYR  64           HB1      TYR  64   0.221   7.553  -2.883
  477    HD1  TYR  64           HD1      TYR  64   2.113   6.401  -2.160
  478    HD2  TYR  64           HD2      TYR  64   2.365  10.603  -2.768
  479    HE1  TYR  64           HE1      TYR  64   4.383   6.393  -1.224
  480    HE2  TYR  64           HE2      TYR  64   4.638  10.605  -1.832
  481    HH   TYR  64           HH       TYR  64   6.025   9.246  -0.356
  482    H    THR  65           HN       THR  65   2.910   8.730  -5.712
  483    HA   THR  65           HA       THR  65   2.827   5.859  -6.384
  484    HB   THR  65           HB       THR  65   4.096   8.034  -8.078
  485    HG1  THR  65           HG1      THR  65   1.765   8.099  -8.039
  486   HG21  THR  65          HG21      THR  65   4.290   6.310  -9.784
  487   HG22  THR  65          HG22      THR  65   3.549   5.133  -8.700
  488   HG23  THR  65          HG23      THR  65   5.130   5.813  -8.314
  489    H    PHE  66           HN       PHE  66   4.877   4.779  -6.116
  490    HA   PHE  66           HA       PHE  66   7.196   6.314  -5.369
  491    HB2  PHE  66           HB2      PHE  66   7.432   5.538  -3.106
  492    HB3  PHE  66           HB1      PHE  66   5.849   6.293  -3.261
  493    HD1  PHE  66           HD1      PHE  66   7.663   3.173  -2.722
  494    HD2  PHE  66           HD2      PHE  66   3.818   4.953  -3.134
  495    HE1  PHE  66           HE1      PHE  66   6.636   1.147  -1.781
  496    HE2  PHE  66           HE2      PHE  66   2.777   2.930  -2.188
  497    HZ   PHE  66           HZ       PHE  66   4.191   1.029  -1.501
  498    H    ASN  67           HN       ASN  67   8.978   4.787  -4.578
  499    HA   ASN  67           HA       ASN  67   8.725   2.131  -5.845
  500    HB2  ASN  67           HB2      ASN  67  11.227   3.843  -5.615
  501    HB3  ASN  67           HB1      ASN  67  11.144   2.230  -6.319
  502   HD21  ASN  67          HD21      ASN  67  12.011   4.751  -7.484
  503   HD22  ASN  67          HD22      ASN  67  11.024   4.996  -8.882
  504    H    GLU  68           HN       GLU  68   9.270   0.422  -4.575
  505    HA   GLU  68           HA       GLU  68   9.056   0.808  -1.811
  506    HB2  GLU  68           HB2      GLU  68  10.077  -1.657  -3.207
  507    HB3  GLU  68           HB1      GLU  68   9.477  -1.578  -1.564
  508    HG2  GLU  68           HG2      GLU  68   7.256  -0.993  -2.428
  509    HG3  GLU  68           HG1      GLU  68   7.890  -1.136  -4.071
  510    H    LYS  69           HN       LYS  69  11.897   0.772  -3.795
  511    HA   LYS  69           HA       LYS  69  13.672  -0.172  -1.752
  512    HB2  LYS  69           HB2      LYS  69  15.480   0.404  -3.284
  513    HB3  LYS  69           HB1      LYS  69  14.227  -0.511  -4.107
  514    HG2  LYS  69           HG2      LYS  69  13.310   1.663  -4.929
  515    HG3  LYS  69           HG1      LYS  69  14.744   2.438  -4.266
  516    HD2  LYS  69           HD2      LYS  69  15.222   0.098  -5.999
  517    HD3  LYS  69           HD1      LYS  69  14.619   1.549  -6.799
  518    HE2  LYS  69           HE2      LYS  69  17.005   1.595  -6.870
  519    HE3  LYS  69           HE1      LYS  69  16.474   2.823  -5.725
  520    HZ1  LYS  69           HZ1      LYS  69  16.971   1.271  -3.922
  521    HZ2  LYS  69           HZ2      LYS  69  18.338   1.604  -4.853
  522    HZ3  LYS  69           HZ3      LYS  69  17.527   0.135  -5.047
  523    H    SER  70           HN       SER  70  12.041   2.641  -1.922
  524    HA   SER  70           HA       SER  70  14.103   4.395  -1.052
  525    HB2  SER  70           HB2      SER  70  11.099   4.595  -0.678
  526    HB3  SER  70           HB1      SER  70  12.257   5.901  -0.402
  527    HG   SER  70           HG       SER  70  12.843   5.670  -2.648
  528    H    THR  71           HN       THR  71  11.798   4.846   1.288
  529    HA   THR  71           HA       THR  71  12.681   2.595   2.937
  530    HB   THR  71           HB       THR  71  12.409   4.169   4.924
  531    HG1  THR  71           HG1      THR  71  12.821   6.229   3.015
  532   HG21  THR  71          HG21      THR  71  14.668   5.127   4.702
  533   HG22  THR  71          HG22      THR  71  14.652   4.723   2.985
  534   HG23  THR  71          HG23      THR  71  14.609   3.438   4.192
  535    H    VAL  72           HN       VAL  72  11.037   1.453   3.635
  536    HA   VAL  72           HA       VAL  72   8.467   1.968   2.641
  537    HB   VAL  72           HB       VAL  72   8.915  -0.021   4.831
  538   HG11  VAL  72          HG11      VAL  72   6.697   0.161   3.849
  539   HG12  VAL  72          HG12      VAL  72   7.433  -1.400   3.472
  540   HG13  VAL  72          HG13      VAL  72   7.372  -0.132   2.243
  541   HG21  VAL  72          HG21      VAL  72   9.995  -0.247   2.031
  542   HG22  VAL  72          HG22      VAL  72   9.765  -1.621   3.110
  543   HG23  VAL  72          HG23      VAL  72  10.894  -0.341   3.545
  544    H    GLY  73           HN       GLY  73   9.995   2.941   5.540
  545    HA2  GLY  73           HA2      GLY  73   7.571   3.180   7.103
  546    HA3  GLY  73           HA1      GLY  73   9.163   3.812   7.536
  547    H    ASN  74           HN       ASN  74   9.706   5.486   5.427
  548    HA   ASN  74           HA       ASN  74   8.098   7.744   5.922
  549    HB2  ASN  74           HB2      ASN  74  10.119   7.091   3.795
  550    HB3  ASN  74           HB1      ASN  74   9.163   8.564   3.686
  551   HD21  ASN  74          HD21      ASN  74  11.748   6.948   5.263
  552   HD22  ASN  74          HD22      ASN  74  12.251   8.279   6.260
  553    H    ILE  75           HN       ILE  75   7.887   5.132   3.660
  554    HA   ILE  75           HA       ILE  75   5.915   6.360   1.995
  555    HB   ILE  75           HB       ILE  75   6.588   3.436   2.306
  556   HG12  ILE  75          HG12      ILE  75   8.541   4.695   1.572
  557   HG13  ILE  75          HG11      ILE  75   7.904   3.741   0.234
  558   HG21  ILE  75          HG21      ILE  75   5.098   4.887   0.130
  559   HG22  ILE  75          HG22      ILE  75   4.385   3.828   1.347
  560   HG23  ILE  75          HG23      ILE  75   5.497   3.171   0.149
  561   HD11  ILE  75          HD11      ILE  75   8.576   5.930  -0.521
  562   HD12  ILE  75          HD12      ILE  75   7.514   6.693   0.664
  563   HD13  ILE  75          HD13      ILE  75   6.826   5.752  -0.660
  564    H    SER  76           HN       SER  76   5.696   3.551   4.196
  565    HA   SER  76           HA       SER  76   2.992   3.154   3.953
  566    HB2  SER  76           HB2      SER  76   4.563   2.631   6.468
  567    HB3  SER  76           HB1      SER  76   3.079   1.824   5.957
  568    HG   SER  76           HG       SER  76   5.668   1.629   4.843
  569    H    ASN  77           HN       ASN  77   4.590   5.072   6.435
  570    HA   ASN  77           HA       ASN  77   2.009   5.626   7.588
  571    HB2  ASN  77           HB2      ASN  77   4.796   6.260   8.439
  572    HB3  ASN  77           HB1      ASN  77   3.438   7.118   9.173
  573   HD21  ASN  77          HD21      ASN  77   1.605   4.901   8.929
  574   HD22  ASN  77          HD22      ASN  77   2.049   3.728  10.119
  575    H    ASP  78           HN       ASP  78   4.039   7.297   5.307
  576    HA   ASP  78           HA       ASP  78   2.571   9.757   5.503
  577    HB2  ASP  78           HB2      ASP  78   4.377   8.560   3.478
  578    HB3  ASP  78           HB1      ASP  78   3.225   9.758   2.907
  579    H    ILE  79           HN       ILE  79   2.202   6.726   3.820
  580    HA   ILE  79           HA       ILE  79  -0.018   7.312   2.240
  581    HB   ILE  79           HB       ILE  79   0.810   4.737   3.588
  582   HG12  ILE  79          HG12      ILE  79   1.033   5.714   0.732
  583   HG13  ILE  79          HG11      ILE  79   2.358   5.558   1.886
  584   HG21  ILE  79          HG21      ILE  79  -0.726   3.578   2.056
  585   HG22  ILE  79          HG22      ILE  79  -1.359   5.140   1.535
  586   HG23  ILE  79          HG23      ILE  79  -1.572   4.614   3.205
  587   HD11  ILE  79          HD11      ILE  79   2.337   3.724   0.289
  588   HD12  ILE  79          HD12      ILE  79   0.702   3.294   0.794
  589   HD13  ILE  79          HD13      ILE  79   2.044   3.145   1.929
  590    H    ASN  80           HN       ASN  80   0.283   6.864   5.671
  591    HA   ASN  80           HA       ASN  80  -2.543   6.478   6.005
  592    HB2  ASN  80           HB2      ASN  80  -0.486   7.039   8.142
  593    HB3  ASN  80           HB1      ASN  80  -2.136   6.488   8.408
  594   HD21  ASN  80          HD21      ASN  80  -0.073   5.172   9.477
  595   HD22  ASN  80          HD22      ASN  80   0.148   3.640   8.701
  596    H    LYS  81           HN       LYS  81  -0.311   9.138   6.127
  597    HA   LYS  81           HA       LYS  81  -1.935  11.034   7.382
  598    HB2  LYS  81           HB2      LYS  81  -0.153  11.505   4.974
  599    HB3  LYS  81           HB1      LYS  81  -0.709  12.725   6.114
  600    HG2  LYS  81           HG2      LYS  81   1.153  10.437   6.724
  601    HG3  LYS  81           HG1      LYS  81   1.606  12.130   6.533
  602    HD2  LYS  81           HD2      LYS  81  -0.248  11.048   8.653
  603    HD3  LYS  81           HD1      LYS  81   1.453  11.443   8.895
  604    HE2  LYS  81           HE2      LYS  81   0.996  13.773   8.327
  605    HE3  LYS  81           HE1      LYS  81  -0.700  13.381   8.060
  606    HZ1  LYS  81           HZ1      LYS  81  -0.361  14.340  10.243
  607    HZ2  LYS  81           HZ2      LYS  81   0.748  13.128  10.636
  608    HZ3  LYS  81           HZ3      LYS  81  -0.875  12.735  10.383
  609    H    LEU  82           HN       LEU  82  -1.813   9.830   4.110
  610    HA   LEU  82           HA       LEU  82  -3.708  11.398   2.837
  611    HB2  LEU  82           HB2      LEU  82  -3.595   8.448   2.344
  612    HB3  LEU  82           HB1      LEU  82  -3.739   9.762   1.185
  613    HG   LEU  82           HG       LEU  82  -1.217   8.947   2.681
  614   HD11  LEU  82          HD11      LEU  82  -2.009   8.773  -0.242
  615   HD12  LEU  82          HD12      LEU  82  -1.830   7.423   0.880
  616   HD13  LEU  82          HD13      LEU  82  -0.421   8.378   0.417
  617   HD21  LEU  82          HD21      LEU  82  -0.098  10.646   1.299
  618   HD22  LEU  82          HD22      LEU  82  -1.312  11.379   2.350
  619   HD23  LEU  82          HD23      LEU  82  -1.653  11.149   0.636
  620    H    ASN  83           HN       ASN  83  -4.071   8.805   5.088
  621    HA   ASN  83           HA       ASN  83  -5.802   7.437   5.711
  622    HB2  ASN  83           HB2      ASN  83  -6.046  10.069   6.666
  623    HB3  ASN  83           HB1      ASN  83  -7.678   9.477   6.353
  624   HD21  ASN  83          HD21      ASN  83  -4.975   7.381   7.188
  625   HD22  ASN  83          HD22      ASN  83  -5.560   6.918   8.756
  626    H    ILE  84           HN       ILE  84  -6.713   6.186   4.358
  627    HA   ILE  84           HA       ILE  84  -8.090   6.612   2.067
  628    HB   ILE  84           HB       ILE  84  -7.516   4.386   3.538
  629   HG12  ILE  84          HG12      ILE  84  -8.738   3.118   1.789
  630   HG13  ILE  84          HG11      ILE  84  -9.432   4.646   1.223
  631   HG21  ILE  84          HG21      ILE  84  -9.500   4.636   4.950
  632   HG22  ILE  84          HG22      ILE  84  -9.589   3.178   3.962
  633   HG23  ILE  84          HG23      ILE  84 -10.524   4.607   3.511
  634   HD11  ILE  84          HD11      ILE  84  -6.553   3.798   1.164
  635   HD12  ILE  84          HD12      ILE  84  -7.082   5.451   0.865
  636   HD13  ILE  84          HD13      ILE  84  -7.616   4.149  -0.196
  637    H    LYS  85           HN       LYS  85 -10.222   6.806   1.454
  638    HA   LYS  85           HA       LYS  85 -12.344   7.110   3.370
  639    HB2  LYS  85           HB2      LYS  85 -12.870   9.460   2.490
  640    HB3  LYS  85           HB1      LYS  85 -11.532   9.317   3.625
  641    HG2  LYS  85           HG2      LYS  85 -10.692  10.742   1.986
  642    HG3  LYS  85           HG1      LYS  85 -10.016   9.168   1.553
  643    HD2  LYS  85           HD2      LYS  85 -11.982   8.926  -0.032
  644    HD3  LYS  85           HD1      LYS  85 -12.291  10.642   0.248
  645    HE2  LYS  85           HE2      LYS  85  -9.732   9.445  -0.810
  646    HE3  LYS  85           HE1      LYS  85 -10.950  10.289  -1.768
  647    HZ1  LYS  85           HZ1      LYS  85 -10.523  12.281  -0.422
  648    HZ2  LYS  85           HZ2      LYS  85  -9.150  11.771  -1.256
  649    HZ3  LYS  85           HZ3      LYS  85  -9.290  11.465   0.399
  650    H    GLY  86           HN       GLY  86 -11.592   5.510   1.021
  651    HA2  GLY  86           HA2      GLY  86 -13.429   6.579  -0.995
  652    HA3  GLY  86           HA1      GLY  86 -11.991   5.660  -1.385
  653    HA   PRO  87           HA       PRO  87 -15.693   2.756  -0.942
  654    HB2  PRO  87           HB2      PRO  87 -16.664   2.630  -3.420
  655    HB3  PRO  87           HB1      PRO  87 -17.135   3.955  -2.341
  656    HG2  PRO  87           HG2      PRO  87 -15.017   3.920  -4.476
  657    HG3  PRO  87           HG1      PRO  87 -16.310   5.119  -4.223
  658    HD2  PRO  87           HD2      PRO  87 -13.777   5.496  -3.329
  659    HD3  PRO  87           HD1      PRO  87 -15.193   6.121  -2.454
  660    H    TYR  88           HN       TYR  88 -13.592   3.142  -3.799
  661    HA   TYR  88           HA       TYR  88 -12.418   0.577  -3.224
  662    HB2  TYR  88           HB2      TYR  88 -12.518  -0.173  -5.585
  663    HB3  TYR  88           HB1      TYR  88 -14.104  -0.086  -4.826
  664    HD1  TYR  88           HD1      TYR  88 -15.613   1.866  -5.413
  665    HD2  TYR  88           HD2      TYR  88 -12.019   1.046  -7.539
  666    HE1  TYR  88           HE1      TYR  88 -16.409   3.246  -7.287
  667    HE2  TYR  88           HE2      TYR  88 -12.806   2.428  -9.414
  668    HH   TYR  88           HH       TYR  88 -15.450   4.525  -9.165
  669    H    ILE  89           HN       ILE  89 -10.329   0.871  -3.155
  670    HA   ILE  89           HA       ILE  89  -9.119   2.861  -4.931
  671    HB   ILE  89           HB       ILE  89  -8.681   2.663  -1.947
  672   HG12  ILE  89          HG12      ILE  89  -9.653   4.906  -3.735
  673   HG13  ILE  89          HG11      ILE  89 -10.636   3.972  -2.610
  674   HG21  ILE  89          HG21      ILE  89  -7.149   4.276  -3.985
  675   HG22  ILE  89          HG22      ILE  89  -6.528   2.928  -3.033
  676   HG23  ILE  89          HG23      ILE  89  -6.991   4.431  -2.235
  677   HD11  ILE  89          HD11      ILE  89  -9.558   4.940  -0.742
  678   HD12  ILE  89          HD12      ILE  89  -9.971   6.258  -1.839
  679   HD13  ILE  89          HD13      ILE  89  -8.314   5.668  -1.753
  680    H    GLU  90           HN       GLU  90  -7.261   2.241  -5.817
  681    HA   GLU  90           HA       GLU  90  -6.458  -0.511  -5.328
  682    HB2  GLU  90           HB2      GLU  90  -5.558   1.431  -7.450
  683    HB3  GLU  90           HB1      GLU  90  -5.173  -0.281  -7.389
  684    HG2  GLU  90           HG2      GLU  90  -7.548  -0.814  -7.663
  685    HG3  GLU  90           HG1      GLU  90  -7.917   0.908  -7.742
  686    H    ILE  91           HN       ILE  91  -5.014  -0.730  -3.729
  687    HA   ILE  91           HA       ILE  91  -2.654   0.992  -3.882
  688    HB   ILE  91           HB       ILE  91  -3.960   0.871  -1.692
  689   HG12  ILE  91          HG12      ILE  91  -1.116  -0.006  -1.337
  690   HG13  ILE  91          HG11      ILE  91  -1.510   1.557  -2.041
  691   HG21  ILE  91          HG21      ILE  91  -3.532  -0.997  -0.198
  692   HG22  ILE  91          HG22      ILE  91  -2.665  -1.840  -1.484
  693   HG23  ILE  91          HG23      ILE  91  -4.397  -1.525  -1.643
  694   HD11  ILE  91          HD11      ILE  91  -2.714   2.168  -0.012
  695   HD12  ILE  91          HD12      ILE  91  -1.037   1.744   0.331
  696   HD13  ILE  91          HD13      ILE  91  -2.328   0.597   0.690
  697    H    LYS  92           HN       LYS  92  -1.356   0.082  -5.343
  698    HA   LYS  92           HA       LYS  92  -0.329  -2.568  -5.042
  699    HB2  LYS  92           HB2      LYS  92  -1.267  -3.438  -7.195
  700    HB3  LYS  92           HB1      LYS  92  -2.470  -3.228  -5.926
  701    HG2  LYS  92           HG2      LYS  92  -3.637  -2.245  -7.586
  702    HG3  LYS  92           HG1      LYS  92  -2.666  -0.840  -7.128
  703    HD2  LYS  92           HD2      LYS  92  -1.115  -1.248  -8.907
  704    HD3  LYS  92           HD1      LYS  92  -1.890  -2.786  -9.298
  705    HE2  LYS  92           HE2      LYS  92  -3.933  -1.593  -9.919
  706    HE3  LYS  92           HE1      LYS  92  -3.159  -0.058  -9.523
  707    HZ1  LYS  92           HZ1      LYS  92  -2.303  -1.947 -11.652
  708    HZ2  LYS  92           HZ2      LYS  92  -1.526  -0.497 -11.267
  709    HZ3  LYS  92           HZ3      LYS  92  -3.096  -0.472 -11.890
  710    H    GLN  93           HN       GLN  93   1.304  -3.064  -6.646
  711    HA   GLN  93           HA       GLN  93   2.420  -0.645  -7.773
  712    HB2  GLN  93           HB2      GLN  93   4.263  -2.362  -8.504
  713    HB3  GLN  93           HB1      GLN  93   4.166  -1.763  -6.857
  714    HG2  GLN  93           HG2      GLN  93   2.989  -3.804  -6.196
  715    HG3  GLN  93           HG1      GLN  93   3.092  -4.395  -7.858
  716   HE21  GLN  93          HE21      GLN  93   5.675  -2.584  -6.390
  717   HE22  GLN  93          HE22      GLN  93   6.773  -3.907  -6.203
  718    H    ILE  94           HN       ILE  94   3.473  -0.842  -9.956
  719    HA   ILE  94           HA       ILE  94   1.265  -1.596 -11.748
  720    HB   ILE  94           HB       ILE  94   2.265   0.427 -13.089
  721   HG12  ILE  94          HG12      ILE  94   3.339   0.785 -10.292
  722   HG13  ILE  94          HG11      ILE  94   4.199   0.930 -11.820
  723   HG21  ILE  94          HG21      ILE  94   0.014   0.324 -12.162
  724   HG22  ILE  94          HG22      ILE  94   0.719   1.922 -11.933
  725   HG23  ILE  94          HG23      ILE  94   0.637   0.794 -10.580
  726   HD11  ILE  94          HD11      ILE  94   3.884   3.078 -10.739
  727   HD12  ILE  94          HD12      ILE  94   2.137   2.845 -10.771
  728   HD13  ILE  94          HD13      ILE  94   3.031   3.010 -12.282