NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type
20028 2ezo cing 1-original 11 XPLOR/CNS chemical shift


!backbone torsional angle constraints on the basis of deuterium coupling to ca
!1  
assign 	(segid a and resid 1 and name n) (segid a and resid 1 and name ca)
 	(segid a and resid 1 and name c) (segid a and resid 2 and name n)  33.00 1.0
!2  
assign 	(segid a and resid 2 and name n) (segid a and resid 2 and name ca)
 	(segid a and resid 2 and name c) (segid a and resid 3 and name n)  43.00 1.0
!3  
assign 	(segid a and resid 3 and name n) (segid a and resid 3 and name ca)
 	(segid a and resid 3 and name c) (segid a and resid 4 and name n)  50.00 1.0
!4  
!53  
!54  
assign 	(segid a and resid 54 and name n) (segid a and resid 54 and name ca)
 	(segid a and resid 54 and name c) (segid a and resid 55 and name n)  16.00 1.0
!55  
assign 	(segid a and resid 55 and name n) (segid a and resid 55 and name ca)
 	(segid a and resid 55 and name c) (segid a and resid 56 and name n)  50.00 1.0
!56  
!57  
assign 	(segid a and resid 57 and name n) (segid a and resid 57 and name ca)
 	(segid a and resid 57 and name c) (segid a and resid 58 and name n)  50.00 1.0
!58  
!59  
!60  
assign 	(segid a and resid 60 and name n) (segid a and resid 60 and name ca)
 	(segid a and resid 60 and name c) (segid a and resid 61 and name n)  40.00 1.0
!61  
assign 	(segid a and resid 61 and name n) (segid a and resid 61 and name ca)
 	(segid a and resid 61 and name c) (segid a and resid 62 and name n)  50.00 1.0
!62  
assign 	(segid a and resid 62 and name n) (segid a and resid 62 and name ca)
 	(segid a and resid 62 and name c) (segid a and resid 63 and name n)  36.00 1.0
!63  
assign 	(segid a and resid 63 and name n) (segid a and resid 63 and name ca)
 	(segid a and resid 63 and name c) (segid a and resid 64 and name n)  41.00 1.0
!64  
assign 	(segid a and resid 64 and name n) (segid a and resid 64 and name ca)
 	(segid a and resid 64 and name c) (segid a and resid 65 and name n)  41.00 1.0
!65  
assign 	(segid a and resid 65 and name n) (segid a and resid 65 and name ca)
 	(segid a and resid 65 and name c) (segid a and resid 66 and name n)  50.00 1.0
!66  
assign 	(segid a and resid 66 and name n) (segid a and resid 66 and name ca)
 	(segid a and resid 66 and name c) (segid a and resid 67 and name n)  38.00 1.0
!67  
assign 	(segid a and resid 67 and name n) (segid a and resid 67 and name ca)
 	(segid a and resid 67 and name c) (segid a and resid 68 and name n)  48.00 1.0
!68  
assign 	(segid a and resid 68 and name n) (segid a and resid 68 and name ca)
 	(segid a and resid 68 and name c) (segid a and resid 69 and name n)  50.00 1.0
!69  
assign 	(segid a and resid 69 and name n) (segid a and resid 69 and name ca)
 	(segid a and resid 69 and name c) (segid a and resid 70 and name n)  50.00 1.0
!70  
!71  
assign 	(segid a and resid 71 and name n) (segid a and resid 71 and name ca)
 	(segid a and resid 71 and name c) (segid a and resid 72 and name n)  50.00 1.0
!72  
!73  
assign 	(segid a and resid 73 and name n) (segid a and resid 73 and name ca)
 	(segid a and resid 73 and name c) (segid a and resid 74 and name n)  41.00 1.0
!74  
!75  
assign 	(segid a and resid 75 and name n) (segid a and resid 75 and name ca)
 	(segid a and resid 75 and name c) (segid a and resid 76 and name n)  50.00 1.0
!76  
assign 	(segid a and resid 76 and name n) (segid a and resid 76 and name ca)
 	(segid a and resid 76 and name c) (segid a and resid 77 and name n)  50.00 1.0
!77  
assign 	(segid a and resid 77 and name n) (segid a and resid 77 and name ca)
 	(segid a and resid 77 and name c) (segid a and resid 78 and name n)  45.00 1.0
!78  
assign 	(segid a and resid 78 and name n) (segid a and resid 78 and name ca)
 	(segid a and resid 78 and name c) (segid a and resid 79 and name n)  50.00 1.0
!79  
assign 	(segid a and resid 79 and name n) (segid a and resid 79 and name ca)
 	(segid a and resid 79 and name c) (segid a and resid 80 and name n)  14.00 1.0
!80  
assign 	(segid a and resid 80 and name n) (segid a and resid 80 and name ca)
 	(segid a and resid 80 and name c) (segid a and resid 81 and name n)  14.00 1.0
!81  
!120  
!121  
assign 	(segid a and resid 121 and name n) (segid a and resid 121 and name ca)
 	(segid a and resid 121 and name c) (segid a and resid 122 and name n)  12.00 1.0
!122  
assign 	(segid a and resid 122 and name n) (segid a and resid 122 and name ca)
 	(segid a and resid 122 and name c) (segid a and resid 123 and name n)  50.00 1.0

























!backbone torsional angle constraints on the basis of deuterium coupling to ca
!1  
assign 	(segid b and resid 1 and name n) (segid b and resid 1 and name ca)
 	(segid b and resid 1 and name c) (segid b and resid 2 and name n)  33.00 1.0
!2  
assign 	(segid b and resid 2 and name n) (segid b and resid 2 and name ca)
 	(segid b and resid 2 and name c) (segid b and resid 3 and name n)  43.00 1.0
!3  
assign 	(segid b and resid 3 and name n) (segid b and resid 3 and name ca)
 	(segid b and resid 3 and name c) (segid b and resid 4 and name n)  50.00 1.0
!4  
!53  
!54  
assign 	(segid b and resid 54 and name n) (segid b and resid 54 and name ca)
 	(segid b and resid 54 and name c) (segid b and resid 55 and name n)  16.00 1.0
!55  
assign 	(segid b and resid 55 and name n) (segid b and resid 55 and name ca)
 	(segid b and resid 55 and name c) (segid b and resid 56 and name n)  50.00 1.0
!56  
!57  
assign 	(segid b and resid 57 and name n) (segid b and resid 57 and name ca)
 	(segid b and resid 57 and name c) (segid b and resid 58 and name n)  50.00 1.0
!58  
!59  
!60  
assign 	(segid b and resid 60 and name n) (segid b and resid 60 and name ca)
 	(segid b and resid 60 and name c) (segid b and resid 61 and name n)  40.00 1.0
!61  
assign 	(segid b and resid 61 and name n) (segid b and resid 61 and name ca)
 	(segid b and resid 61 and name c) (segid b and resid 62 and name n)  50.00 1.0
!62  
assign 	(segid b and resid 62 and name n) (segid b and resid 62 and name ca)
 	(segid b and resid 62 and name c) (segid b and resid 63 and name n)  36.00 1.0
!63  
assign 	(segid b and resid 63 and name n) (segid b and resid 63 and name ca)
 	(segid b and resid 63 and name c) (segid b and resid 64 and name n)  41.00 1.0
!64  
assign 	(segid b and resid 64 and name n) (segid b and resid 64 and name ca)
 	(segid b and resid 64 and name c) (segid b and resid 65 and name n)  41.00 1.0
!65  
assign 	(segid b and resid 65 and name n) (segid b and resid 65 and name ca)
 	(segid b and resid 65 and name c) (segid b and resid 66 and name n)  50.00 1.0
!66  
assign 	(segid b and resid 66 and name n) (segid b and resid 66 and name ca)
 	(segid b and resid 66 and name c) (segid b and resid 67 and name n)  38.00 1.0
!67  
assign 	(segid b and resid 67 and name n) (segid b and resid 67 and name ca)
 	(segid b and resid 67 and name c) (segid b and resid 68 and name n)  48.00 1.0
!68  
assign 	(segid b and resid 68 and name n) (segid b and resid 68 and name ca)
 	(segid b and resid 68 and name c) (segid b and resid 69 and name n)  50.00 1.0
!69  
assign 	(segid b and resid 69 and name n) (segid b and resid 69 and name ca)
 	(segid b and resid 69 and name c) (segid b and resid 70 and name n)  50.00 1.0
!70  
!71  
assign 	(segid b and resid 71 and name n) (segid b and resid 71 and name ca)
 	(segid b and resid 71 and name c) (segid b and resid 72 and name n)  50.00 1.0
!72  
!73  
assign 	(segid b and resid 73 and name n) (segid b and resid 73 and name ca)
 	(segid b and resid 73 and name c) (segid b and resid 74 and name n)  41.00 1.0
!74  
!75  
assign 	(segid b and resid 75 and name n) (segid b and resid 75 and name ca)
 	(segid b and resid 75 and name c) (segid b and resid 76 and name n)  50.00 1.0
!76  
assign 	(segid b and resid 76 and name n) (segid b and resid 76 and name ca)
 	(segid b and resid 76 and name c) (segid b and resid 77 and name n)  50.00 1.0
!77  
assign 	(segid b and resid 77 and name n) (segid b and resid 77 and name ca)
 	(segid b and resid 77 and name c) (segid b and resid 78 and name n)  45.00 1.0
!78  
assign 	(segid b and resid 78 and name n) (segid b and resid 78 and name ca)
 	(segid b and resid 78 and name c) (segid b and resid 79 and name n)  50.00 1.0
!79  
assign 	(segid b and resid 79 and name n) (segid b and resid 79 and name ca)
 	(segid b and resid 79 and name c) (segid b and resid 80 and name n)  14.00 1.0
!80  
assign 	(segid b and resid 80 and name n) (segid b and resid 80 and name ca)
 	(segid b and resid 80 and name c) (segid b and resid 81 and name n)  14.00 1.0
!81  
!120  
!121  
assign 	(segid b and resid 121 and name n) (segid b and resid 121 and name ca)
 	(segid b and resid 121 and name c) (segid b and resid 122 and name n)  12.00 1.0
!122  
assign 	(segid b and resid 122 and name n) (segid b and resid 122 and name ca)
 	(segid b and resid 122 and name c) (segid b and resid 123 and name n)  50.00 1.0
















!backbone torsional angle constraints on the basis of deuterium coupling to ca
!1  
assign 	(segid c and resid 1 and name n) (segid c and resid 1 and name ca)
 	(segid c and resid 1 and name c) (segid c and resid 2 and name n)  33.00 1.0
!2  
assign 	(segid c and resid 2 and name n) (segid c and resid 2 and name ca)
 	(segid c and resid 2 and name c) (segid c and resid 3 and name n)  43.00 1.0
!3  
assign 	(segid c and resid 3 and name n) (segid c and resid 3 and name ca)
 	(segid c and resid 3 and name c) (segid c and resid 4 and name n)  50.00 1.0
!4  
!53  
!54  
assign 	(segid c and resid 54 and name n) (segid c and resid 54 and name ca)
 	(segid c and resid 54 and name c) (segid c and resid 55 and name n)  16.00 1.0
!55  
assign 	(segid c and resid 55 and name n) (segid c and resid 55 and name ca)
 	(segid c and resid 55 and name c) (segid c and resid 56 and name n)  50.00 1.0
!56  
!57  
assign 	(segid c and resid 57 and name n) (segid c and resid 57 and name ca)
 	(segid c and resid 57 and name c) (segid c and resid 58 and name n)  50.00 1.0
!58  
!59  
!60  
assign 	(segid c and resid 60 and name n) (segid c and resid 60 and name ca)
 	(segid c and resid 60 and name c) (segid c and resid 61 and name n)  40.00 1.0
!61  
assign 	(segid c and resid 61 and name n) (segid c and resid 61 and name ca)
 	(segid c and resid 61 and name c) (segid c and resid 62 and name n)  50.00 1.0
!62  
assign 	(segid c and resid 62 and name n) (segid c and resid 62 and name ca)
 	(segid c and resid 62 and name c) (segid c and resid 63 and name n)  36.00 1.0
!63  
assign 	(segid c and resid 63 and name n) (segid c and resid 63 and name ca)
 	(segid c and resid 63 and name c) (segid c and resid 64 and name n)  41.00 1.0
!64  
assign 	(segid c and resid 64 and name n) (segid c and resid 64 and name ca)
 	(segid c and resid 64 and name c) (segid c and resid 65 and name n)  41.00 1.0
!65  
assign 	(segid c and resid 65 and name n) (segid c and resid 65 and name ca)
 	(segid c and resid 65 and name c) (segid c and resid 66 and name n)  50.00 1.0
!66  
assign 	(segid c and resid 66 and name n) (segid c and resid 66 and name ca)
 	(segid c and resid 66 and name c) (segid c and resid 67 and name n)  38.00 1.0
!67  
assign 	(segid c and resid 67 and name n) (segid c and resid 67 and name ca)
 	(segid c and resid 67 and name c) (segid c and resid 68 and name n)  48.00 1.0
!68  
assign 	(segid c and resid 68 and name n) (segid c and resid 68 and name ca)
 	(segid c and resid 68 and name c) (segid c and resid 69 and name n)  50.00 1.0
!69  
assign 	(segid c and resid 69 and name n) (segid c and resid 69 and name ca)
 	(segid c and resid 69 and name c) (segid c and resid 70 and name n)  50.00 1.0
!70  
!71  
assign 	(segid c and resid 71 and name n) (segid c and resid 71 and name ca)
 	(segid c and resid 71 and name c) (segid c and resid 72 and name n)  50.00 1.0
!72  
!73  
assign 	(segid c and resid 73 and name n) (segid c and resid 73 and name ca)
 	(segid c and resid 73 and name c) (segid c and resid 74 and name n)  41.00 1.0
!74  
!75  
assign 	(segid c and resid 75 and name n) (segid c and resid 75 and name ca)
 	(segid c and resid 75 and name c) (segid c and resid 76 and name n)  50.00 1.0
!76  
assign 	(segid c and resid 76 and name n) (segid c and resid 76 and name ca)
 	(segid c and resid 76 and name c) (segid c and resid 77 and name n)  50.00 1.0
!77  
assign 	(segid c and resid 77 and name n) (segid c and resid 77 and name ca)
 	(segid c and resid 77 and name c) (segid c and resid 78 and name n)  45.00 1.0
!78  
assign 	(segid c and resid 78 and name n) (segid c and resid 78 and name ca)
 	(segid c and resid 78 and name c) (segid c and resid 79 and name n)  50.00 1.0
!79  
assign 	(segid c and resid 79 and name n) (segid c and resid 79 and name ca)
 	(segid c and resid 79 and name c) (segid c and resid 80 and name n)  14.00 1.0
!80  
assign 	(segid c and resid 80 and name n) (segid c and resid 80 and name ca)
 	(segid c and resid 80 and name c) (segid c and resid 81 and name n)  14.00 1.0
!81  
!120  
!121  
assign 	(segid c and resid 121 and name n) (segid c and resid 121 and name ca)
 	(segid c and resid 121 and name c) (segid c and resid 122 and name n)  12.00 1.0
!122  
assign 	(segid c and resid 122 and name n) (segid c and resid 122 and name ca)
 	(segid c and resid 122 and name c) (segid c and resid 123 and name n)  50.00 1.0







E. 13Calpha and 13Cbeta secondary shift restraints



!remark Ca and Cb shifts

 !!    Q2
 assign (segid a and resid  1  and name c ) (segid a and resid  2  and name n ) 
        (segid a and resid  2  and name ca) (segid a and resid  2  and name c )
	(segid a and resid  3  and name n )  			  56.00 29.50 
  !!    S3
 assign (segid a and resid  2  and name c ) (segid a and resid  3  and name n ) 
        (segid a and resid  3  and name ca) (segid a and resid  3  and name c )  
	(segid a and resid  4  and name n ) 			  59.20 63.20
  !!    R4
 assign (segid a and resid  3  and name c ) (segid a and resid  4  and name n ) 
        (segid a and resid  4  and name ca) (segid a and resid  4  and name c ) 
	(segid a and resid  5  and name n ) 			  59.50 29.50
  !!    T5
 assign (segid a and resid  4  and name c ) (segid a and resid  5  and name n )
        (segid a and resid  5  and name ca) (segid a and resid  5  and name c )
	(segid a and resid  6  and name n )			  65.90 68.70
  !!    L6
 assign (segid a and resid  5  and name c ) (segid a and resid  6  and name n ) 
        (segid a and resid  6  and name ca) (segid a and resid  6  and name c )
	(segid a and resid  7  and name n )          		  57.90 41.60
  !!    L7
 assign (segid a and resid  6  and name c ) (segid a and resid  7  and name n ) 
        (segid a and resid  7  and name ca) (segid a and resid  7  and name c )
	(segid a and resid  8  and name n )   			  58.60 41.60
  !!    A8
 assign (segid a and resid  7  and name c ) (segid a and resid  8  and name n )
        (segid a and resid  8  and name ca) (segid a and resid  8  and name c )
        (segid a and resid  9  and name n )   			  55.40 17.90
  !!    G9
 assign (segid a and resid  8  and name c ) (segid a and resid  9  and name n ) 
        (segid a and resid  9  and name ca) (segid a and resid  9  and name c ) 
	(segid a and resid  10  and name n )  		          47.40 0.00
  !!    I10
 assign (segid a and resid  9  and name c ) (segid a and resid  10  and name n )
        (segid a and resid 10  and name ca) (segid a and resid  10  and name c )
	(segid a and resid 11 and name n )   			  65.70 38.60
  !!    V11
 assign (segid a and resid 10 and name c ) (segid a and resid 11 and name n ) 
        (segid a and resid 11 and name ca) (segid a and resid 11 and name c ) 
	(segid a and resid 12 and name n )    			  67.00 33.00
  !!    Q12
 assign (segid a and resid 11 and name c ) (segid a and resid 12 and name n ) 
        (segid a and resid 12 and name ca) (segid a and resid 12 and name c )   
	(segid a and resid 13 and name n )  		          58.80 27.90
  !!    Q13
 assign (segid a and resid 12 and name c ) (segid a and resid 13 and name n ) 
        (segid a and resid 13 and name ca) (segid a and resid 13 and name c )
	(segid a and resid 14 and name n )     			  59.50 28.10
  !!    Q14
 assign (segid a and resid 13 and name c ) (segid a and resid 14 and name n ) 
        (segid a and resid 14 and name ca) (segid a and resid 14 and name c )
	(segid a and resid 15 and name n )     			  59.70 28.70
  !!    Q15
 assign (segid a and resid 14 and name c ) (segid a and resid 15 and name n ) 
        (segid a and resid 15 and name ca) (segid a and resid 15 and name c )
	(segid a and resid 16 and name n )     			  58.70 29.00
  !!    Q16
 assign (segid a and resid 15 and name c ) (segid a and resid 16 and name n ) 
        (segid a and resid 16 and name ca) (segid a and resid 16 and name c ) 
	(segid a and resid 17 and name n )    			  59.30 27.90
  !!    L17
 assign (segid a and resid 16 and name c ) (segid a and resid 17 and name n ) 
        (segid a and resid 17 and name ca) (segid a and resid 17 and name c ) 
	(segid a and resid 18 and name n )    			  58.20 42.60
  !!    L18
 assign (segid a and resid 17 and name c ) (segid a and resid 18 and name n ) 
        (segid a and resid 18 and name ca) (segid a and resid 18 and name c )
	(segid a and resid 19 and name n )     			  58.20 41.90
  !!    D19
assign  (segid a and resid 18 and name c ) (segid a and resid 19 and name n )
        (segid a and resid 19 and name ca) (segid a and resid 19 and name c )
        (segid a and resid 20 and name n )     			  57.40 39.00
  !!    V20
 assign (segid a and resid 19 and name c ) (segid a and resid 20 and name n ) 
        (segid a and resid 20 and name ca) (segid a and resid 20 and name c )
	(segid a and resid 21 and name n )     			  67.80 31.80
  !!    V21
 assign (segid a and resid 20 and name c ) (segid a and resid 21 and name n ) 
        (segid a and resid 21 and name ca) (segid a and resid 21 and name c )
	(segid a and resid 22 and name n )     			  66.50 32.20
  !!    K22
 assign (segid a and resid 21 and name c ) (segid a and resid 22 and name n ) 
        (segid a and resid 22 and name ca) (segid a and resid 22 and name c )
	(segid a and resid 23 and name n )     		          60.60 32.70
  !!    R23
 assign (segid a and resid 22 and name c ) (segid a and resid 23 and name n )
        (segid a and resid 23 and name ca) (segid a and resid 23 and name c )
	(segid a and resid 24 and name n ) 		       	  58.60 29.10
  !!    Q24
 assign (segid a and resid 23 and name c ) (segid a and resid 24 and name n )
        (segid a and resid 24 and name ca) (segid a and resid 24 and name c )
	(segid a and resid 25 and name n )   			  60.40  28.80
  !!    Q25
 assign (segid a and resid 24 and name c ) (segid a and resid 25 and name n )
        (segid a and resid 25 and name ca) (segid a and resid 25 and name c )
	(segid a and resid 26 and name n )   			  57.90 26.50
  !!    E26
 assign (segid a and resid 25 and name c ) (segid a and resid 26 and name n ) 
        (segid a and resid 26 and name ca) (segid a and resid 26 and name c ) 
	(segid a and resid 27 and name n )    			  59.60 28.90
  !!    L27
 assign (segid a and resid 26 and name c ) (segid a and resid 27 and name n )
        (segid a and resid 27 and name ca) (segid a and resid 27 and name c )
	(segid a and resid 28 and name n )     			  57.70 41.70
  !!    L28
 assign (segid a and resid 27 and name c ) (segid a and resid 28 and name n ) 
        (segid a and resid 28 and name ca) (segid a and resid 28 and name c )
	(segid a and resid 29 and name n )    			  58.60 41.90
  !!    R29
 assign (segid a and resid 28 and name c ) (segid a and resid 29 and name n ) 
        (segid a and resid 29 and name ca) (segid a and resid 29 and name c ) 
	(segid a and resid 30 and name n )    			  60.40 29.80
  !!    L30
 assign (segid a and resid 29 and name c ) (segid a and resid 30 and name n )
        (segid a and resid 30 and name ca) (segid a and resid 30 and name c )
        (segid a and resid 31 and name n )    			  58.80 41.40
  !!    T31
assign (segid a and resid 30 and name c ) (segid a and resid 31 and name n )
       (segid a and resid 31 and name ca) (segid a and resid 31 and name c )
       (segid a and resid 32 and name n )    			  68.00 68.90
  !!    V32
assign (segid a and resid 31 and name c ) (segid a and resid 32 and name n ) 
       (segid a and resid 32 and name ca) (segid a and resid 32 and name c ) 
       (segid a and resid 33 and name n )    			  68.00 32.20
  !!    W33
 assign (segid a and resid 32 and name c ) (segid a and resid 33 and name n )
        (segid a and resid 33 and name ca) (segid a and resid 33 and name c )
        (segid a and resid 34 and name n )    			  63.00 28.40
  !!    G34
 assign (segid a and resid 33 and name c ) (segid a and resid 34 and name n )
        (segid a and resid 34 and name ca) (segid a and resid 34 and name c )
        (segid a and resid 35 and name n )    			  47.90 0.00
  !!    T35
 assign (segid a and resid 34 and name c ) (segid a and resid 35 and name n )
        (segid a and resid 35 and name ca) (segid a and resid 35 and name c )
        (segid a and resid 36 and name n )    			  68.30 68.70
  !!    K36
 assign (segid a and resid 35 and name c ) (segid a and resid 36 and name n )
        (segid a and resid 36 and name ca) (segid a and resid 36 and name c )
        (segid a and resid 37 and name n )    			  60.30 32.70
  !!    N37
 assign (segid a and resid 36 and name c ) (segid a and resid 37 and name n ) 
       (segid a and resid 37 and name ca) (segid a and resid 37 and name c )   
 	(segid a and resid 38 and name n )  			  57.70 38.70
  !!    L38
 assign (segid a and resid 37 and name c ) (segid a and resid 38 and name n ) 
        (segid a and resid 38 and name ca) (segid a and resid 38 and name c ) 
	(segid a and resid 39 and name n )    			  58.00 42.10
  !!    Q39
 assign (segid a and resid 38 and name c ) (segid a and resid 39 and name n )
        (segid a and resid 39 and name ca) (segid a and resid 39 and name c )
        (segid a and resid 40 and name n )    			  59.50 28.40
  !!    T40
 assign (segid a and resid 39 and name c ) (segid a and resid 40 and name n )
        (segid a and resid 40 and name ca) (segid a and resid 40 and name c )
        (segid a and resid 41 and name n )    			  66.90 68.70
  !!    R41
 assign (segid a and resid 40 and name c ) (segid a and resid 41 and name n ) 
        (segid a and resid 41 and name ca) (segid a and resid 41 and name c )  
	(segid a and resid 42 and name n )   			  59.30 29.30
  !!    V42
 assign (segid a and resid 41 and name c ) (segid a and resid 42 and name n ) 
        (segid a and resid 42 and name ca) (segid a and resid 42 and name c ) 
	(segid a and resid 43 and name n )    			  67.50 31.60
  !!    T43
assign (segid a and resid 42 and name c ) (segid a and resid 43 and name n ) 
       (segid a and resid 43 and name ca) (segid a and resid 43 and name c )
       (segid a and resid 44 and name n )     			  66.80 68.70
  !!    A44
 assign (segid a and resid 43 and name c ) (segid a and resid 44 and name n ) 
        (segid a and resid 44 and name ca) (segid a and resid 44 and name c ) 
	(segid a and resid 45 and name n )    			  55.40 17.80
  !!    I45
 assign (segid a and resid 44 and name c ) (segid a and resid 45 and name n ) 
        (segid a and resid 45 and name ca) (segid a and resid 45 and name c )
	(segid a and resid 46 and name n )     			  65.90 38.80
  !!    E46
 assign (segid a and resid 45 and name c ) (segid a and resid 46 and name n ) 
        (segid a and resid 46 and name ca) (segid a and resid 46 and name c )
	(segid a and resid 47 and name n )     			  60.20 29.10
  !!    K47
 assign (segid a and resid 46 and name c ) (segid a and resid 47 and name n ) 
        (segid a and resid 47 and name ca) (segid a and resid 47 and name c )
	(segid a and resid 48 and name n )     			  59.60 32.30
  !!    Y48
 assign (segid a and resid 47 and name c ) (segid a and resid 48 and name n ) 
        (segid a and resid 48 and name ca) (segid a and resid 48 and name c )
	(segid a and resid 49 and name n )     			  61.70 38.70
  !!    L49
 assign (segid a and resid 48 and name c ) (segid a and resid 49 and name n ) 
        (segid a and resid 49 and name ca) (segid a and resid 49 and name c ) 
	(segid a and resid 50 and name n )    			  57.60 42.50
  !!    K50
 assign (segid a and resid 49 and name c ) (segid a and resid 50 and name n ) 
        (segid a and resid 50 and name ca) (segid a and resid 50 and name c )
	(segid a and resid 51 and name n )     			  59.50 32.20
  !!    D51
 assign (segid a and resid 50 and name c ) (segid a and resid 51 and name n ) 
        (segid a and resid 51 and name ca) (segid a and resid 51 and name c )
	(segid a and resid 52 and name n )     			  56.40 39.00
  !!    Q52
 assign (segid a and resid 51 and name c ) (segid a and resid 52 and name n ) 
        (segid a and resid 52 and name ca) (segid a and resid 52 and name c ) 
	(segid a and resid 53 and name n )    			  58.10 28.70
  !!    A53
 assign (segid a and resid 52 and name c ) (segid a and resid 53 and name n ) 
        (segid a and resid 53 and name ca) (segid a and resid 53 and name c ) 
	(segid a and resid 54 and name n )    			  54.50 18.30
  !!    Q54
 assign (segid a and resid 53 and name c ) (segid a and resid 54 and name n )
        (segid a and resid 54 and name ca) (segid a and resid 54 and name c )
	(segid a and resid 55 and name n )     			  57.50 28.70
  !!    L55
 assign (segid a and resid 54 and name c ) (segid a and resid 55 and name n )
        (segid a and resid 55 and name ca) (segid a and resid 55 and name c ) 
	(segid a and resid 56 and name n )    			  56.40 42.50
  !!    N56
 assign (segid a and resid 55 and name c ) (segid a and resid 56 and name n ) 
        (segid a and resid 56 and name ca) (segid a and resid 56 and name c )
	(segid a and resid 57 and name n )     			  54.10 38.80
  !!    A57
 assign (segid a and resid 56 and name c ) (segid a and resid 57 and name n ) 
        (segid a and resid 57 and name ca) (segid a and resid 57 and name c )
	(segid a and resid 58 and name n )     			  53.20 19.10
  !!    W58
 assign (segid a and resid 57 and name c ) (segid a and resid 58 and name n )
        (segid a and resid 58 and name ca) (segid a and resid 58 and name c )
	(segid a and resid 59 and name n )     			  57.70 29.40
  !!    G59
 assign (segid a and resid 58 and name c ) (segid a and resid 59 and name n ) 
        (segid a and resid 59 and name ca) (segid a and resid 59 and name c )
	(segid a and resid 60 and name n )     			  45.80 0.00
  !!    A60
 assign (segid a and resid 59 and name c ) (segid a and resid 60 and name n ) 
        (segid a and resid 60 and name ca) (segid a and resid 60 and name c )
	(segid a and resid 61 and name n )     			  53.10 18.70
  !!    A61
 assign (segid a and resid 60 and name c ) (segid a and resid 61 and name n ) 
        (segid a and resid 61 and name ca) (segid a and resid 61 and name c )
	(segid a and resid 62 and name n )     			  53.10 18.70
  !!    F62
 assign (segid a and resid 61 and name c ) (segid a and resid 62 and name n ) 
        (segid a and resid 62 and name ca) (segid a and resid 62 and name c ) 
	(segid a and resid 63 and name n )    			  58.00 39.10
  !!    R63
 assign (segid a and resid 62 and name c ) (segid a and resid 63 and name n ) 
        (segid a and resid 63 and name ca) (segid a and resid 63 and name c )
	(segid a and resid 64 and name n )     			  56.70 30.30
  !!    Q64
 assign (segid a and resid 63 and name c ) (segid a and resid 64 and name n ) 
        (segid a and resid 64 and name ca) (segid a and resid 64 and name c )
	(segid a and resid 65 and name n )     			  56.20 29.30
  !!    V65
 assign (segid a and resid 64 and name c ) (segid a and resid 65 and name n ) 
        (segid a and resid 65 and name ca) (segid a and resid 65 and name c )
	(segid a and resid 66 and name n )     			  62.30 33.00
  !!    A66
 assign (segid a and resid 65 and name c ) (segid a and resid 66 and name n ) 
        (segid a and resid 66 and name ca) (segid a and resid 66 and name c )
	(segid a and resid 67 and name n )     			  52.60 19.10
  !!    H67
 assign (segid a and resid 66 and name c ) (segid a and resid 67 and name n ) 
        (segid a and resid 67 and name ca) (segid a and resid 67 and name c )
	(segid a and resid 68 and name n )     			  55.20 28.70
  !!    T68
 assign (segid a and resid 67 and name c ) (segid a and resid 68 and name n ) 
        (segid a and resid 68 and name ca) (segid a and resid 68 and name c )
	(segid a and resid 69 and name n )     			  61.80 70.00
  !!    T69
 assign (segid a and resid 68 and name c ) (segid a and resid 69 and name n ) 
        (segid a and resid 69 and name ca) (segid a and resid 69 and name c )
	(segid a and resid 70 and name n )     			  62.10 70.00
  !!    V70
 assign (segid a and resid 69 and name c ) (segid a and resid 70 and name n ) 
        (segid a and resid 70 and name ca) (segid a and resid 70 and name c )
	(segid a and resid 71 and name n )     			  59.50 32.90
  !!    P71
 assign (segid a and resid 70 and name c ) (segid a and resid 71 and name n ) 
        (segid a and resid 71 and name ca) (segid a and resid 71 and name c )
	(segid a and resid 72 and name n )     			  63.00 31.10
  !!    W72
 assign (segid a and resid 71 and name c ) (segid a and resid 72 and name n ) 
        (segid a and resid 72 and name ca) (segid a and resid 72 and name c )
	(segid a and resid 73 and name n )     			  54.90 28.80
  !!    P73
 assign (segid a and resid 72 and name c ) (segid a and resid 73 and name n ) 
        (segid a and resid 73 and name ca) (segid a and resid 73 and name c )
	(segid a and resid 74 and name n )     			  63.30 31.50
  !!    N74
 assign (segid a and resid 73 and name c ) (segid a and resid 74 and name n ) 
        (segid a and resid 74 and name ca) (segid a and resid 74 and name c )
	(segid a and resid 75 and name n )     			  53.60 38.80
  !!    A75
 assign (segid a and resid 74 and name c ) (segid a and resid 75 and name n ) 
        (segid a and resid 75 and name ca) (segid a and resid 75 and name c )
	(segid a and resid 76 and name n )     			  53.00 19.10
  !!    S76
 assign (segid a and resid 75 and name c ) (segid a and resid 76 and name n ) 
        (segid a and resid 76 and name ca) (segid a and resid 76 and name c )
	(segid a and resid 77 and name n )     			  58.30 63.40
  !!    L77
 assign (segid a and resid 76 and name c ) (segid a and resid 77 and name n ) 
        (segid a and resid 77 and name ca) (segid a and resid 77 and name c )
	(segid a and resid 78 and name n )     			  55.60 42.50
  !!    T78
 assign (segid a and resid 77 and name c ) (segid a and resid 78 and name n ) 
        (segid a and resid 78 and name ca) (segid a and resid 78 and name c )
	(segid a and resid 79 and name n )     			  60.10 69.80
  !!    P79
 assign (segid a and resid 78 and name c ) (segid a and resid 79 and name n ) 
        (segid a and resid 79 and name ca) (segid a and resid 79 and name c )
	(segid a and resid 80 and name n )     			  63.40 32.00
  !!    K80
 assign (segid a and resid 79 and name c ) (segid a and resid 80 and name n ) 
        (segid a and resid 80 and name ca) (segid a and resid 80 and name c )
	(segid a and resid 81 and name n )     			  57.30 32.50
  !!    W81
 assign (segid a and resid 80 and name c ) (segid a and resid 81 and name n ) 
        (segid a and resid 81 and name ca) (segid a and resid 81 and name c )
	(segid a and resid 82 and name n )     			  57.10 29.30
  !!    N82
 assign (segid a and resid 81 and name c ) (segid a and resid 82 and name n ) 
        (segid a and resid 82 and name ca) (segid a and resid 82 and name c )
	(segid a and resid 83 and name n )     			  55.30 39.70
  !!    N83
 assign (segid a and resid 82 and name c ) (segid a and resid 83 and name n ) 
        (segid a and resid 83 and name ca) (segid a and resid 83 and name c )
	(segid a and resid 84 and name n )     			  55.70 38.80
  !!    E84
 assign (segid a and resid 83 and name c ) (segid a and resid 84 and name n ) 
        (segid a and resid 84 and name ca) (segid a and resid 84 and name c )
	(segid a and resid 85 and name n )     			  58.60 28.40
  !!    T85
 assign (segid a and resid 84 and name c ) (segid a and resid 85 and name n ) 
        (segid a and resid 85 and name ca) (segid a and resid 85 and name c )
	(segid a and resid 86 and name n )     			  65.30 69.80
  !!    W86
 assign (segid a and resid 85 and name c ) (segid a and resid 86 and name n ) 
        (segid a and resid 86 and name ca) (segid a and resid 86 and name c )
	(segid a and resid 87 and name n )     			  61.80 28.30
  !!    Q87
 assign (segid a and resid 86 and name c ) (segid a and resid 87 and name n ) 
        (segid a and resid 87 and name ca) (segid a and resid 87 and name c )
	(segid a and resid 88 and name n )     			  59.70 28.30
  !!    E88
 assign (segid a and resid 87 and name c ) (segid a and resid 88 and name n ) 
        (segid a and resid 88 and name ca) (segid a and resid 88 and name c )
	(segid a and resid 89 and name n )     			  58.90 28.20
  !!    W89
 assign (segid a and resid 88 and name c ) (segid a and resid 89 and name n ) 
        (segid a and resid 89 and name ca) (segid a and resid 89 and name c )
	(segid a and resid 90 and name n )     			  62.70 29.40
  !!    E90
 assign (segid a and resid 89 and name c ) (segid a and resid 90 and name n ) 
        (segid a and resid 90 and name ca) (segid a and resid 90 and name c )
	(segid a and resid 91 and name n )     			  59.80 29.00
  !!    R91
 assign (segid a and resid 90 and name c ) (segid a and resid 91 and name n ) 
        (segid a and resid 91 and name ca) (segid a and resid 91 and name c )
	(segid a and resid 92 and name n )     			  59.60 29.60
  !!    K92
 assign (segid a and resid 91 and name c ) (segid a and resid 92 and name n ) 
        (segid a and resid 92 and name ca) (segid a and resid 92 and name c )
	(segid a and resid 93 and name n )     			  59.50 32.80
  !!    V93
 assign (segid a and resid 92 and name c ) (segid a and resid 93 and name n ) 
        (segid a and resid 93 and name ca) (segid a and resid 93 and name c )
	(segid a and resid 94 and name n )     			  66.50 31.60
  !!    D94
 assign (segid a and resid 93 and name c ) (segid a and resid 94 and name n ) 
        (segid a and resid 94 and name ca) (segid a and resid 94 and name c )
	(segid a and resid 95 and name n )     			  57.00 38.30
  !!    F95
 assign (segid a and resid 94 and name c ) (segid a and resid 95 and name n ) 
        (segid a and resid 95 and name ca) (segid a and resid 95 and name c )
	(segid a and resid 96 and name n )     			  61.00 38.80
  !!    L96
 assign (segid a and resid 95 and name c ) (segid a and resid 96 and name n ) 
        (segid a and resid 96 and name ca) (segid a and resid 96 and name c )
	(segid a and resid 97 and name n )     			  58.60 43.20
  !!    E97
 assign (segid a and resid 96 and name c ) (segid a and resid 97 and name n ) 
        (segid a and resid 97 and name ca) (segid a and resid 97 and name c )
	(segid a and resid 98 and name n )     			  60.60 28.40
  !!    E98
 assign (segid a and resid 97 and name c ) (segid a and resid 98 and name n ) 
        (segid a and resid 98 and name ca) (segid a and resid 98 and name c )
	(segid a and resid 99 and name n )     			  58.90 27.90
  !!    N99
 assign (segid a and resid 98 and name c ) (segid a and resid 99 and name n ) 
        (segid a and resid 99 and name ca) (segid a and resid 99 and name c )
	(segid a and resid 100 and name n )    			  57.00 40.20
  !!    I100
 assign (segid a and resid 99 and name c ) (segid a and resid 100 and name n ) 
        (segid a and resid 100 and name ca) (segid a and resid 100 and name c )
	(segid a and resid 101 and name n )     		  66.50 38.80
  !!    T101
 assign (segid a and resid 100 and name c ) (segid a and resid 101 and name n ) 
        (segid a and resid 101 and name ca) (segid a and resid 101 and name c )
	(segid a and resid 102 and name n )     		  68.00 68.90
  !!    A102
 assign (segid a and resid 101 and name c ) (segid a and resid 102 and name n ) 
        (segid a and resid 102 and name ca) (segid a and resid 102 and name c )
	(segid a and resid 103 and name n )     		  55.50 18.00
  !!    L103
 assign (segid a and resid 102 and name c ) (segid a and resid 103 and name n ) 
        (segid a and resid 103 and name ca) (segid a and resid 103 and name c )
	(segid a and resid 104 and name n )    			  57.90 43.00
  !!    L104
 assign (segid a and resid 103 and name c ) (segid a and resid 104 and name n ) 
        (segid a and resid 104 and name ca) (segid a and resid 104 and name c )
	(segid a and resid 105 and name n )     		  58.10 41.90
  !!    E105
 assign (segid a and resid 104 and name c ) (segid a and resid 105 and name n ) 
        (segid a and resid 105 and name ca) (segid a and resid 105 and name c )
	(segid a and resid 106 and name n )     		  59.10 27.60
  !!    E106
 assign (segid a and resid 105 and name c ) (segid a and resid 106 and name n ) 
        (segid a and resid 106 and name ca) (segid a and resid 106 and name c )
	(segid a and resid 107 and name n )     		  59.00 27.70
  !!    A107
 assign (segid a and resid 106 and name c ) (segid a and resid 107 and name n ) 
        (segid a and resid 107 and name ca) (segid a and resid 107 and name c )
	(segid a and resid 108 and name n )    			  54.40 18.00
  !!    Q108
 assign (segid a and resid 107 and name c ) (segid a and resid 108 and name n ) 
        (segid a and resid 108 and name ca) (segid a and resid 108 and name c )
	(segid a and resid 109 and name n )    			  58.60 28.20
  !!    I109
 assign (segid a and resid 108 and name c ) (segid a and resid 109 and name n ) 
        (segid a and resid 109 and name ca) (segid a and resid 109 and name c )
	(segid a and resid 110 and name n )    			  64.80 37.90
  !!    Q110
 assign (segid a and resid 109 and name c ) (segid a and resid 110 and name n ) 
        (segid a and resid 110 and name ca) (segid a and resid 110 and name c )
	(segid a and resid 111 and name n )    			  58.20 28.50
  !!    Q111
 assign (segid a and resid 110 and name c ) (segid a and resid 111 and name n ) 
        (segid a and resid 111 and name ca) (segid a and resid 111 and name c )
	(segid a and resid 112 and name n )     		  58.50 28.80
  !!    E112
 assign (segid a and resid 111 and name c ) (segid a and resid 112 and name n ) 
        (segid a and resid 112 and name ca) (segid a and resid 112 and name c )
	(segid a and resid 113 and name n )     		  58.80 27.80
  !!    K113
 assign (segid a and resid 112 and name c ) (segid a and resid 113 and name n ) 
        (segid a and resid 113 and name ca) (segid a and resid 113 and name c )
	(segid a and resid 114 and name n )    			  59.90 32.10
  !!    N114
 assign (segid a and resid 113 and name c ) (segid a and resid 114 and name n ) 
        (segid a and resid 114 and name ca) (segid a and resid 114 and name c )
	(segid a and resid 115 and name n )    			  55.50 36.70
  !!    M115
 assign (segid a and resid 114 and name c ) (segid a and resid 115 and name n ) 
        (segid a and resid 115 and name ca) (segid a and resid 115 and name c )
	(segid a and resid 116 and name n )     		  58.50 32.00
  !!    Y116
 assign (segid a and resid 115 and name c ) (segid a and resid 116 and name n ) 
        (segid a and resid 116 and name ca) (segid a and resid 116 and name c )
	(segid a and resid 117 and name n )     		  61.10 37.70
  !!    E117
 assign (segid a and resid 116 and name c ) (segid a and resid 117 and name n ) 
        (segid a and resid 117 and name ca) (segid a and resid 117 and name c )
	(segid a and resid 118 and name n )     		  58.50 28.40
  !!    L118
 assign (segid a and resid 117 and name c ) (segid a and resid 118 and name n ) 
        (segid a and resid 118 and name ca) (segid a and resid 118 and name c )
	(segid a and resid 119 and name n )     		  58.10 42.20
  !!    K119
 assign (segid a and resid 118 and name c ) (segid a and resid 119 and name n ) 
        (segid a and resid 119 and name ca) (segid a and resid 119 and name c )
	(segid a and resid 120 and name n )     		  58.10 28.10
  !!    K120
 assign (segid a and resid 119 and name c ) (segid a and resid 120 and name n ) 
        (segid a and resid 120 and name ca) (segid a and resid 120 and name c )
	(segid a and resid 121 and name n )    			  56.60 32.10
  !!    L121
 assign (segid a and resid 120 and name c ) (segid a and resid 121 and name n ) 
        (segid a and resid 121 and name ca) (segid a and resid 121 and name c )
	(segid a and resid 122 and name n )    			  56.50 42.40
  !!    N122
 assign (segid a and resid 121 and name c ) (segid a and resid 122 and name n ) 
        (segid a and resid 122 and name ca) (segid a and resid 122 and name c )
	(segid a and resid 123 and name n )     		  53.60 39.20









!remark Ca and Cb shifts

 !!    Q2
 assign (segid b and resid  1  and name c ) (segid b and resid  2  and name n ) 
        (segid b and resid  2  and name ca) (segid b and resid  2  and name c )
	(segid b and resid  3  and name n )  			  56.00 29.50 
  !!    S3
 assign (segid b and resid  2  and name c ) (segid b and resid  3  and name n ) 
        (segid b and resid  3  and name ca) (segid b and resid  3  and name c )  
	(segid b and resid  4  and name n ) 			  59.20 63.20
  !!    R4
 assign (segid b and resid  3  and name c ) (segid b and resid  4  and name n ) 
        (segid b and resid  4  and name ca) (segid b and resid  4  and name c ) 
	(segid b and resid  5  and name n ) 			  59.50 29.50
  !!    T5
 assign (segid b and resid  4  and name c ) (segid b and resid  5  and name n )
        (segid b and resid  5  and name ca) (segid b and resid  5  and name c )
	(segid b and resid  6  and name n )			  65.90 68.70
  !!    L6
 assign (segid b and resid  5  and name c ) (segid b and resid  6  and name n ) 
        (segid b and resid  6  and name ca) (segid b and resid  6  and name c )
	(segid b and resid  7  and name n )          		  57.90 41.60
  !!    L7
 assign (segid b and resid  6  and name c ) (segid b and resid  7  and name n ) 
        (segid b and resid  7  and name ca) (segid b and resid  7  and name c )
	(segid b and resid  8  and name n )   			  58.60 41.60
  !!    A8
 assign (segid b and resid  7  and name c ) (segid b and resid  8  and name n )
        (segid b and resid  8  and name ca) (segid b and resid  8  and name c )
        (segid b and resid  9  and name n )   			  55.40 17.90
  !!    G9
 assign (segid b and resid  8  and name c ) (segid b and resid  9  and name n ) 
        (segid b and resid  9  and name ca) (segid b and resid  9  and name c ) 
	(segid b and resid  10  and name n )  		          47.40 0.00
  !!    I10
 assign (segid b and resid  9  and name c ) (segid b and resid  10  and name n )
        (segid b and resid 10  and name ca) (segid b and resid  10  and name c )
	(segid b and resid 11 and name n )   			  65.70 38.60
  !!    V11
 assign (segid b and resid 10 and name c ) (segid b and resid 11 and name n ) 
        (segid b and resid 11 and name ca) (segid b and resid 11 and name c ) 
	(segid b and resid 12 and name n )    			  67.00 33.00
  !!    Q12
 assign (segid b and resid 11 and name c ) (segid b and resid 12 and name n ) 
        (segid b and resid 12 and name ca) (segid b and resid 12 and name c )   
	(segid b and resid 13 and name n )  		          58.80 27.90
  !!    Q13
 assign (segid b and resid 12 and name c ) (segid b and resid 13 and name n ) 
        (segid b and resid 13 and name ca) (segid b and resid 13 and name c )
	(segid b and resid 14 and name n )     			  59.50 28.10
  !!    Q14
 assign (segid b and resid 13 and name c ) (segid b and resid 14 and name n ) 
        (segid b and resid 14 and name ca) (segid b and resid 14 and name c )
	(segid b and resid 15 and name n )     			  59.70 28.70
  !!    Q15
 assign (segid b and resid 14 and name c ) (segid b and resid 15 and name n ) 
        (segid b and resid 15 and name ca) (segid b and resid 15 and name c )
	(segid b and resid 16 and name n )     			  58.70 29.00
  !!    Q16
 assign (segid b and resid 15 and name c ) (segid b and resid 16 and name n ) 
        (segid b and resid 16 and name ca) (segid b and resid 16 and name c ) 
	(segid b and resid 17 and name n )    			  59.30 27.90
  !!    L17
 assign (segid b and resid 16 and name c ) (segid b and resid 17 and name n ) 
        (segid b and resid 17 and name ca) (segid b and resid 17 and name c ) 
	(segid b and resid 18 and name n )    			  58.20 42.60
  !!    L18
 assign (segid b and resid 17 and name c ) (segid b and resid 18 and name n ) 
        (segid b and resid 18 and name ca) (segid b and resid 18 and name c )
	(segid b and resid 19 and name n )     			  58.20 41.90
  !!    D19
assign  (segid b and resid 18 and name c ) (segid b and resid 19 and name n )
        (segid b and resid 19 and name ca) (segid b and resid 19 and name c )
        (segid b and resid 20 and name n )     			  57.40 39.00
  !!    V20
 assign (segid b and resid 19 and name c ) (segid b and resid 20 and name n ) 
        (segid b and resid 20 and name ca) (segid b and resid 20 and name c )
	(segid b and resid 21 and name n )     			  67.80 31.80
  !!    V21
 assign (segid b and resid 20 and name c ) (segid b and resid 21 and name n ) 
        (segid b and resid 21 and name ca) (segid b and resid 21 and name c )
	(segid b and resid 22 and name n )     			  66.50 32.20
  !!    K22
 assign (segid b and resid 21 and name c ) (segid b and resid 22 and name n ) 
        (segid b and resid 22 and name ca) (segid b and resid 22 and name c )
	(segid b and resid 23 and name n )     		          60.60 32.70
  !!    R23
 assign (segid b and resid 22 and name c ) (segid b and resid 23 and name n )
        (segid b and resid 23 and name ca) (segid b and resid 23 and name c )
	(segid b and resid 24 and name n ) 		       	  58.60 29.10
  !!    Q24
 assign (segid b and resid 23 and name c ) (segid b and resid 24 and name n )
        (segid b and resid 24 and name ca) (segid b and resid 24 and name c )
	(segid b and resid 25 and name n )   			  60.40  28.80
  !!    Q25
 assign (segid b and resid 24 and name c ) (segid b and resid 25 and name n )
        (segid b and resid 25 and name ca) (segid b and resid 25 and name c )
	(segid b and resid 26 and name n )   			  57.90 26.50
  !!    E26
 assign (segid b and resid 25 and name c ) (segid b and resid 26 and name n ) 
        (segid b and resid 26 and name ca) (segid b and resid 26 and name c ) 
	(segid b and resid 27 and name n )    			  59.60 28.90
  !!    L27
 assign (segid b and resid 26 and name c ) (segid b and resid 27 and name n )
        (segid b and resid 27 and name ca) (segid b and resid 27 and name c )
	(segid b and resid 28 and name n )     			  57.70 41.70
  !!    L28
 assign (segid b and resid 27 and name c ) (segid b and resid 28 and name n ) 
        (segid b and resid 28 and name ca) (segid b and resid 28 and name c )
	(segid b and resid 29 and name n )    			  58.60 41.90
  !!    R29
 assign (segid b and resid 28 and name c ) (segid b and resid 29 and name n ) 
        (segid b and resid 29 and name ca) (segid b and resid 29 and name c ) 
	(segid b and resid 30 and name n )    			  60.40 29.80
  !!    L30
 assign (segid b and resid 29 and name c ) (segid b and resid 30 and name n )
        (segid b and resid 30 and name ca) (segid b and resid 30 and name c )
        (segid b and resid 31 and name n )    			  58.80 41.40
  !!    T31
assign (segid b and resid 30 and name c ) (segid b and resid 31 and name n )
       (segid b and resid 31 and name ca) (segid b and resid 31 and name c )
       (segid b and resid 32 and name n )    			  68.00 68.90
  !!    V32
assign (segid b and resid 31 and name c ) (segid b and resid 32 and name n ) 
       (segid b and resid 32 and name ca) (segid b and resid 32 and name c ) 
       (segid b and resid 33 and name n )    			  68.00 32.20
  !!    W33
 assign (segid b and resid 32 and name c ) (segid b and resid 33 and name n )
        (segid b and resid 33 and name ca) (segid b and resid 33 and name c )
        (segid b and resid 34 and name n )    			  63.00 28.40
  !!    G34
 assign (segid b and resid 33 and name c ) (segid b and resid 34 and name n )
        (segid b and resid 34 and name ca) (segid b and resid 34 and name c )
        (segid b and resid 35 and name n )    			  47.90 0.00
  !!    T35
 assign (segid b and resid 34 and name c ) (segid b and resid 35 and name n )
        (segid b and resid 35 and name ca) (segid b and resid 35 and name c )
        (segid b and resid 36 and name n )    			  68.30 68.70
  !!    K36
 assign (segid b and resid 35 and name c ) (segid b and resid 36 and name n )
        (segid b and resid 36 and name ca) (segid b and resid 36 and name c )
        (segid b and resid 37 and name n )    			  60.30 32.70
  !!    N37
 assign (segid b and resid 36 and name c ) (segid b and resid 37 and name n ) 
       (segid b and resid 37 and name ca) (segid b and resid 37 and name c )   
 	(segid b and resid 38 and name n )  			  57.70 38.70
  !!    L38
 assign (segid b and resid 37 and name c ) (segid b and resid 38 and name n ) 
        (segid b and resid 38 and name ca) (segid b and resid 38 and name c ) 
	(segid b and resid 39 and name n )    			  58.00 42.10
  !!    Q39
 assign (segid b and resid 38 and name c ) (segid b and resid 39 and name n )
        (segid b and resid 39 and name ca) (segid b and resid 39 and name c )
        (segid b and resid 40 and name n )    			  59.50 28.40
  !!    T40
 assign (segid b and resid 39 and name c ) (segid b and resid 40 and name n )
        (segid b and resid 40 and name ca) (segid b and resid 40 and name c )
        (segid b and resid 41 and name n )    			  66.90 68.70
  !!    R41
 assign (segid b and resid 40 and name c ) (segid b and resid 41 and name n ) 
        (segid b and resid 41 and name ca) (segid b and resid 41 and name c )  
	(segid b and resid 42 and name n )   			  59.30 29.30
  !!    V42
 assign (segid b and resid 41 and name c ) (segid b and resid 42 and name n ) 
        (segid b and resid 42 and name ca) (segid b and resid 42 and name c ) 
	(segid b and resid 43 and name n )    			  67.50 31.60
  !!    T43
assign (segid b and resid 42 and name c ) (segid b and resid 43 and name n ) 
       (segid b and resid 43 and name ca) (segid b and resid 43 and name c )
       (segid b and resid 44 and name n )     			  66.80 68.70
  !!    A44
 assign (segid b and resid 43 and name c ) (segid b and resid 44 and name n ) 
        (segid b and resid 44 and name ca) (segid b and resid 44 and name c ) 
	(segid b and resid 45 and name n )    			  55.40 17.80
  !!    I45
 assign (segid b and resid 44 and name c ) (segid b and resid 45 and name n ) 
        (segid b and resid 45 and name ca) (segid b and resid 45 and name c )
	(segid b and resid 46 and name n )     			  65.90 38.80
  !!    E46
 assign (segid b and resid 45 and name c ) (segid b and resid 46 and name n ) 
        (segid b and resid 46 and name ca) (segid b and resid 46 and name c )
	(segid b and resid 47 and name n )     			  60.20 29.10
  !!    K47
 assign (segid b and resid 46 and name c ) (segid b and resid 47 and name n ) 
        (segid b and resid 47 and name ca) (segid b and resid 47 and name c )
	(segid b and resid 48 and name n )     			  59.60 32.30
  !!    Y48
 assign (segid b and resid 47 and name c ) (segid b and resid 48 and name n ) 
        (segid b and resid 48 and name ca) (segid b and resid 48 and name c )
	(segid b and resid 49 and name n )     			  61.70 38.70
  !!    L49
 assign (segid b and resid 48 and name c ) (segid b and resid 49 and name n ) 
        (segid b and resid 49 and name ca) (segid b and resid 49 and name c ) 
	(segid b and resid 50 and name n )    			  57.60 42.50
  !!    K50
 assign (segid b and resid 49 and name c ) (segid b and resid 50 and name n ) 
        (segid b and resid 50 and name ca) (segid b and resid 50 and name c )
	(segid b and resid 51 and name n )     			  59.50 32.20
  !!    D51
 assign (segid b and resid 50 and name c ) (segid b and resid 51 and name n ) 
        (segid b and resid 51 and name ca) (segid b and resid 51 and name c )
	(segid b and resid 52 and name n )     			  56.40 39.00
  !!    Q52
 assign (segid b and resid 51 and name c ) (segid b and resid 52 and name n ) 
        (segid b and resid 52 and name ca) (segid b and resid 52 and name c ) 
	(segid b and resid 53 and name n )    			  58.10 28.70
  !!    A53
 assign (segid b and resid 52 and name c ) (segid b and resid 53 and name n ) 
        (segid b and resid 53 and name ca) (segid b and resid 53 and name c ) 
	(segid b and resid 54 and name n )    			  54.50 18.30
  !!    Q54
 assign (segid b and resid 53 and name c ) (segid b and resid 54 and name n )
        (segid b and resid 54 and name ca) (segid b and resid 54 and name c )
	(segid b and resid 55 and name n )     			  57.50 28.70
  !!    L55
 assign (segid b and resid 54 and name c ) (segid b and resid 55 and name n )
        (segid b and resid 55 and name ca) (segid b and resid 55 and name c ) 
	(segid b and resid 56 and name n )    			  56.40 42.50
  !!    N56
 assign (segid b and resid 55 and name c ) (segid b and resid 56 and name n ) 
        (segid b and resid 56 and name ca) (segid b and resid 56 and name c )
	(segid b and resid 57 and name n )     			  54.10 38.80
  !!    A57
 assign (segid b and resid 56 and name c ) (segid b and resid 57 and name n ) 
        (segid b and resid 57 and name ca) (segid b and resid 57 and name c )
	(segid b and resid 58 and name n )     			  53.20 19.10
  !!    W58
 assign (segid b and resid 57 and name c ) (segid b and resid 58 and name n )
        (segid b and resid 58 and name ca) (segid b and resid 58 and name c )
	(segid b and resid 59 and name n )     			  57.70 29.40
  !!    G59
 assign (segid b and resid 58 and name c ) (segid b and resid 59 and name n ) 
        (segid b and resid 59 and name ca) (segid b and resid 59 and name c )
	(segid b and resid 60 and name n )     			  45.80 0.00
  !!    A60
 assign (segid b and resid 59 and name c ) (segid b and resid 60 and name n ) 
        (segid b and resid 60 and name ca) (segid b and resid 60 and name c )
	(segid b and resid 61 and name n )     			  53.10 18.70
  !!    A61
 assign (segid b and resid 60 and name c ) (segid b and resid 61 and name n ) 
        (segid b and resid 61 and name ca) (segid b and resid 61 and name c )
	(segid b and resid 62 and name n )     			  53.10 18.70
  !!    F62
 assign (segid b and resid 61 and name c ) (segid b and resid 62 and name n ) 
        (segid b and resid 62 and name ca) (segid b and resid 62 and name c ) 
	(segid b and resid 63 and name n )    			  58.00 39.10
  !!    R63
 assign (segid b and resid 62 and name c ) (segid b and resid 63 and name n ) 
        (segid b and resid 63 and name ca) (segid b and resid 63 and name c )
	(segid b and resid 64 and name n )     			  56.70 30.30
  !!    Q64
 assign (segid b and resid 63 and name c ) (segid b and resid 64 and name n ) 
        (segid b and resid 64 and name ca) (segid b and resid 64 and name c )
	(segid b and resid 65 and name n )     			  56.20 29.30
  !!    V65
 assign (segid b and resid 64 and name c ) (segid b and resid 65 and name n ) 
        (segid b and resid 65 and name ca) (segid b and resid 65 and name c )
	(segid b and resid 66 and name n )     			  62.30 33.00
  !!    A66
 assign (segid b and resid 65 and name c ) (segid b and resid 66 and name n ) 
        (segid b and resid 66 and name ca) (segid b and resid 66 and name c )
	(segid b and resid 67 and name n )     			  52.60 19.10
  !!    H67
 assign (segid b and resid 66 and name c ) (segid b and resid 67 and name n ) 
        (segid b and resid 67 and name ca) (segid b and resid 67 and name c )
	(segid b and resid 68 and name n )     			  55.20 28.70
  !!    T68
 assign (segid b and resid 67 and name c ) (segid b and resid 68 and name n ) 
        (segid b and resid 68 and name ca) (segid b and resid 68 and name c )
	(segid b and resid 69 and name n )     			  61.80 70.00
  !!    T69
 assign (segid b and resid 68 and name c ) (segid b and resid 69 and name n ) 
        (segid b and resid 69 and name ca) (segid b and resid 69 and name c )
	(segid b and resid 70 and name n )     			  62.10 70.00
  !!    V70
 assign (segid b and resid 69 and name c ) (segid b and resid 70 and name n ) 
        (segid b and resid 70 and name ca) (segid b and resid 70 and name c )
	(segid b and resid 71 and name n )     			  59.50 32.90
  !!    P71
 assign (segid b and resid 70 and name c ) (segid b and resid 71 and name n ) 
        (segid b and resid 71 and name ca) (segid b and resid 71 and name c )
	(segid b and resid 72 and name n )     			  63.00 31.10
  !!    W72
 assign (segid b and resid 71 and name c ) (segid b and resid 72 and name n ) 
        (segid b and resid 72 and name ca) (segid b and resid 72 and name c )
	(segid b and resid 73 and name n )     			  54.90 28.80
  !!    P73
 assign (segid b and resid 72 and name c ) (segid b and resid 73 and name n ) 
        (segid b and resid 73 and name ca) (segid b and resid 73 and name c )
	(segid b and resid 74 and name n )     			  63.30 31.50
  !!    N74
 assign (segid b and resid 73 and name c ) (segid b and resid 74 and name n ) 
        (segid b and resid 74 and name ca) (segid b and resid 74 and name c )
	(segid b and resid 75 and name n )     			  53.60 38.80
  !!    A75
 assign (segid b and resid 74 and name c ) (segid b and resid 75 and name n ) 
        (segid b and resid 75 and name ca) (segid b and resid 75 and name c )
	(segid b and resid 76 and name n )     			  53.00 19.10
  !!    S76
 assign (segid b and resid 75 and name c ) (segid b and resid 76 and name n ) 
        (segid b and resid 76 and name ca) (segid b and resid 76 and name c )
	(segid b and resid 77 and name n )     			  58.30 63.40
  !!    L77
 assign (segid b and resid 76 and name c ) (segid b and resid 77 and name n ) 
        (segid b and resid 77 and name ca) (segid b and resid 77 and name c )
	(segid b and resid 78 and name n )     			  55.60 42.50
  !!    T78
 assign (segid b and resid 77 and name c ) (segid b and resid 78 and name n ) 
        (segid b and resid 78 and name ca) (segid b and resid 78 and name c )
	(segid b and resid 79 and name n )     			  60.10 69.80
  !!    P79
 assign (segid b and resid 78 and name c ) (segid b and resid 79 and name n ) 
        (segid b and resid 79 and name ca) (segid b and resid 79 and name c )
	(segid b and resid 80 and name n )     			  63.40 32.00
  !!    K80
 assign (segid b and resid 79 and name c ) (segid b and resid 80 and name n ) 
        (segid b and resid 80 and name ca) (segid b and resid 80 and name c )
	(segid b and resid 81 and name n )     			  57.30 32.50
  !!    W81
 assign (segid b and resid 80 and name c ) (segid b and resid 81 and name n ) 
        (segid b and resid 81 and name ca) (segid b and resid 81 and name c )
	(segid b and resid 82 and name n )     			  57.10 29.30
  !!    N82
 assign (segid b and resid 81 and name c ) (segid b and resid 82 and name n ) 
        (segid b and resid 82 and name ca) (segid b and resid 82 and name c )
	(segid b and resid 83 and name n )     			  55.30 39.70
  !!    N83
 assign (segid b and resid 82 and name c ) (segid b and resid 83 and name n ) 
        (segid b and resid 83 and name ca) (segid b and resid 83 and name c )
	(segid b and resid 84 and name n )     			  55.70 38.80
  !!    E84
 assign (segid b and resid 83 and name c ) (segid b and resid 84 and name n ) 
        (segid b and resid 84 and name ca) (segid b and resid 84 and name c )
	(segid b and resid 85 and name n )     			  58.60 28.40
  !!    T85
 assign (segid b and resid 84 and name c ) (segid b and resid 85 and name n ) 
        (segid b and resid 85 and name ca) (segid b and resid 85 and name c )
	(segid b and resid 86 and name n )     			  65.30 69.80
  !!    W86
 assign (segid b and resid 85 and name c ) (segid b and resid 86 and name n ) 
        (segid b and resid 86 and name ca) (segid b and resid 86 and name c )
	(segid b and resid 87 and name n )     			  61.80 28.30
  !!    Q87
 assign (segid b and resid 86 and name c ) (segid b and resid 87 and name n ) 
        (segid b and resid 87 and name ca) (segid b and resid 87 and name c )
	(segid b and resid 88 and name n )     			  59.70 28.30
  !!    E88
 assign (segid b and resid 87 and name c ) (segid b and resid 88 and name n ) 
        (segid b and resid 88 and name ca) (segid b and resid 88 and name c )
	(segid b and resid 89 and name n )     			  58.90 28.20
  !!    W89
 assign (segid b and resid 88 and name c ) (segid b and resid 89 and name n ) 
        (segid b and resid 89 and name ca) (segid b and resid 89 and name c )
	(segid b and resid 90 and name n )     			  62.70 29.40
  !!    E90
 assign (segid b and resid 89 and name c ) (segid b and resid 90 and name n ) 
        (segid b and resid 90 and name ca) (segid b and resid 90 and name c )
	(segid b and resid 91 and name n )     			  59.80 29.00
  !!    R91
 assign (segid b and resid 90 and name c ) (segid b and resid 91 and name n ) 
        (segid b and resid 91 and name ca) (segid b and resid 91 and name c )
	(segid b and resid 92 and name n )     			  59.60 29.60
  !!    K92
 assign (segid b and resid 91 and name c ) (segid b and resid 92 and name n ) 
        (segid b and resid 92 and name ca) (segid b and resid 92 and name c )
	(segid b and resid 93 and name n )     			  59.50 32.80
  !!    V93
 assign (segid b and resid 92 and name c ) (segid b and resid 93 and name n ) 
        (segid b and resid 93 and name ca) (segid b and resid 93 and name c )
	(segid b and resid 94 and name n )     			  66.50 31.60
  !!    D94
 assign (segid b and resid 93 and name c ) (segid b and resid 94 and name n ) 
        (segid b and resid 94 and name ca) (segid b and resid 94 and name c )
	(segid b and resid 95 and name n )     			  57.00 38.30
  !!    F95
 assign (segid b and resid 94 and name c ) (segid b and resid 95 and name n ) 
        (segid b and resid 95 and name ca) (segid b and resid 95 and name c )
	(segid b and resid 96 and name n )     			  61.00 38.80
  !!    L96
 assign (segid b and resid 95 and name c ) (segid b and resid 96 and name n ) 
        (segid b and resid 96 and name ca) (segid b and resid 96 and name c )
	(segid b and resid 97 and name n )     			  58.60 43.20
  !!    E97
 assign (segid b and resid 96 and name c ) (segid b and resid 97 and name n ) 
        (segid b and resid 97 and name ca) (segid b and resid 97 and name c )
	(segid b and resid 98 and name n )     			  60.60 28.40
  !!    E98
 assign (segid b and resid 97 and name c ) (segid b and resid 98 and name n ) 
        (segid b and resid 98 and name ca) (segid b and resid 98 and name c )
	(segid b and resid 99 and name n )     			  58.90 27.90
  !!    N99
 assign (segid b and resid 98 and name c ) (segid b and resid 99 and name n ) 
        (segid b and resid 99 and name ca) (segid b and resid 99 and name c )
	(segid b and resid 100 and name n )    			  57.00 40.20
  !!    I100
 assign (segid b and resid 99 and name c ) (segid b and resid 100 and name n ) 
        (segid b and resid 100 and name ca) (segid b and resid 100 and name c )
	(segid b and resid 101 and name n )     		  66.50 38.80
  !!    T101
 assign (segid b and resid 100 and name c ) (segid b and resid 101 and name n ) 
        (segid b and resid 101 and name ca) (segid b and resid 101 and name c )
	(segid b and resid 102 and name n )     		  68.00 68.90
  !!    A102
 assign (segid b and resid 101 and name c ) (segid b and resid 102 and name n ) 
        (segid b and resid 102 and name ca) (segid b and resid 102 and name c )
	(segid b and resid 103 and name n )     		  55.50 18.00
  !!    L103
 assign (segid b and resid 102 and name c ) (segid b and resid 103 and name n ) 
        (segid b and resid 103 and name ca) (segid b and resid 103 and name c )
	(segid b and resid 104 and name n )    			  57.90 43.00
  !!    L104
 assign (segid b and resid 103 and name c ) (segid b and resid 104 and name n ) 
        (segid b and resid 104 and name ca) (segid b and resid 104 and name c )
	(segid b and resid 105 and name n )     		  58.10 41.90
  !!    E105
 assign (segid b and resid 104 and name c ) (segid b and resid 105 and name n ) 
        (segid b and resid 105 and name ca) (segid b and resid 105 and name c )
	(segid b and resid 106 and name n )     		  59.10 27.60
  !!    E106
 assign (segid b and resid 105 and name c ) (segid b and resid 106 and name n ) 
        (segid b and resid 106 and name ca) (segid b and resid 106 and name c )
	(segid b and resid 107 and name n )     		  59.00 27.70
  !!    A107
 assign (segid b and resid 106 and name c ) (segid b and resid 107 and name n ) 
        (segid b and resid 107 and name ca) (segid b and resid 107 and name c )
	(segid b and resid 108 and name n )    			  54.40 18.00
  !!    Q108
 assign (segid b and resid 107 and name c ) (segid b and resid 108 and name n ) 
        (segid b and resid 108 and name ca) (segid b and resid 108 and name c )
	(segid b and resid 109 and name n )    			  58.60 28.20
  !!    I109
 assign (segid b and resid 108 and name c ) (segid b and resid 109 and name n ) 
        (segid b and resid 109 and name ca) (segid b and resid 109 and name c )
	(segid b and resid 110 and name n )    			  64.80 37.90
  !!    Q110
 assign (segid b and resid 109 and name c ) (segid b and resid 110 and name n ) 
        (segid b and resid 110 and name ca) (segid b and resid 110 and name c )
	(segid b and resid 111 and name n )    			  58.20 28.50
  !!    Q111
 assign (segid b and resid 110 and name c ) (segid b and resid 111 and name n ) 
        (segid b and resid 111 and name ca) (segid b and resid 111 and name c )
	(segid b and resid 112 and name n )     		  58.50 28.80
  !!    E112
 assign (segid b and resid 111 and name c ) (segid b and resid 112 and name n ) 
        (segid b and resid 112 and name ca) (segid b and resid 112 and name c )
	(segid b and resid 113 and name n )     		  58.80 27.80
  !!    K113
 assign (segid b and resid 112 and name c ) (segid b and resid 113 and name n ) 
        (segid b and resid 113 and name ca) (segid b and resid 113 and name c )
	(segid b and resid 114 and name n )    			  59.90 32.10
  !!    N114
 assign (segid b and resid 113 and name c ) (segid b and resid 114 and name n ) 
        (segid b and resid 114 and name ca) (segid b and resid 114 and name c )
	(segid b and resid 115 and name n )    			  55.50 36.70
  !!    M115
 assign (segid b and resid 114 and name c ) (segid b and resid 115 and name n ) 
        (segid b and resid 115 and name ca) (segid b and resid 115 and name c )
	(segid b and resid 116 and name n )     		  58.50 32.00
  !!    Y116
 assign (segid b and resid 115 and name c ) (segid b and resid 116 and name n ) 
        (segid b and resid 116 and name ca) (segid b and resid 116 and name c )
	(segid b and resid 117 and name n )     		  61.10 37.70
  !!    E117
 assign (segid b and resid 116 and name c ) (segid b and resid 117 and name n ) 
        (segid b and resid 117 and name ca) (segid b and resid 117 and name c )
	(segid b and resid 118 and name n )     		  58.50 28.40
  !!    L118
 assign (segid b and resid 117 and name c ) (segid b and resid 118 and name n ) 
        (segid b and resid 118 and name ca) (segid b and resid 118 and name c )
	(segid b and resid 119 and name n )     		  58.10 42.20
  !!    K119
 assign (segid b and resid 118 and name c ) (segid b and resid 119 and name n ) 
        (segid b and resid 119 and name ca) (segid b and resid 119 and name c )
	(segid b and resid 120 and name n )     		  58.10 28.10
  !!    K120
 assign (segid b and resid 119 and name c ) (segid b and resid 120 and name n ) 
        (segid b and resid 120 and name ca) (segid b and resid 120 and name c )
	(segid b and resid 121 and name n )    			  56.60 32.10
  !!    L121
 assign (segid b and resid 120 and name c ) (segid b and resid 121 and name n ) 
        (segid b and resid 121 and name ca) (segid b and resid 121 and name c )
	(segid b and resid 122 and name n )    			  56.50 42.40
  !!    N122
 assign (segid b and resid 121 and name c ) (segid b and resid 122 and name n ) 
        (segid b and resid 122 and name ca) (segid b and resid 122 and name c )
	(segid b and resid 123 and name n )     		  53.60 39.20


!remark Ca and Cb shifts

 !!    Q2
 assign (segid c and resid  1  and name c ) (segid c and resid  2  and name n ) 
        (segid c and resid  2  and name ca) (segid c and resid  2  and name c )
	(segid c and resid  3  and name n )  			  56.00 29.50 
  !!    S3
 assign (segid c and resid  2  and name c ) (segid c and resid  3  and name n ) 
        (segid c and resid  3  and name ca) (segid c and resid  3  and name c )  
	(segid c and resid  4  and name n ) 			  59.20 63.20
  !!    R4
 assign (segid c and resid  3  and name c ) (segid c and resid  4  and name n ) 
        (segid c and resid  4  and name ca) (segid c and resid  4  and name c ) 
	(segid c and resid  5  and name n ) 			  59.50 29.50
  !!    T5
 assign (segid c and resid  4  and name c ) (segid c and resid  5  and name n )
        (segid c and resid  5  and name ca) (segid c and resid  5  and name c )
	(segid c and resid  6  and name n )			  65.90 68.70
  !!    L6
 assign (segid c and resid  5  and name c ) (segid c and resid  6  and name n ) 
        (segid c and resid  6  and name ca) (segid c and resid  6  and name c )
	(segid c and resid  7  and name n )          		  57.90 41.60
  !!    L7
 assign (segid c and resid  6  and name c ) (segid c and resid  7  and name n ) 
        (segid c and resid  7  and name ca) (segid c and resid  7  and name c )
	(segid c and resid  8  and name n )   			  58.60 41.60
  !!    A8
 assign (segid c and resid  7  and name c ) (segid c and resid  8  and name n )
        (segid c and resid  8  and name ca) (segid c and resid  8  and name c )
        (segid c and resid  9  and name n )   			  55.40 17.90
  !!    G9
 assign (segid c and resid  8  and name c ) (segid c and resid  9  and name n ) 
        (segid c and resid  9  and name ca) (segid c and resid  9  and name c ) 
	(segid c and resid  10  and name n )  		          47.40 0.00
  !!    I10
 assign (segid c and resid  9  and name c ) (segid c and resid  10  and name n )
        (segid c and resid 10  and name ca) (segid c and resid  10  and name c )
	(segid c and resid 11 and name n )   			  65.70 38.60
  !!    V11
 assign (segid c and resid 10 and name c ) (segid c and resid 11 and name n ) 
        (segid c and resid 11 and name ca) (segid c and resid 11 and name c ) 
	(segid c and resid 12 and name n )    			  67.00 33.00
  !!    Q12
 assign (segid c and resid 11 and name c ) (segid c and resid 12 and name n ) 
        (segid c and resid 12 and name ca) (segid c and resid 12 and name c )   
	(segid c and resid 13 and name n )  		          58.80 27.90
  !!    Q13
 assign (segid c and resid 12 and name c ) (segid c and resid 13 and name n ) 
        (segid c and resid 13 and name ca) (segid c and resid 13 and name c )
	(segid c and resid 14 and name n )     			  59.50 28.10
  !!    Q14
 assign (segid c and resid 13 and name c ) (segid c and resid 14 and name n ) 
        (segid c and resid 14 and name ca) (segid c and resid 14 and name c )
	(segid c and resid 15 and name n )     			  59.70 28.70
  !!    Q15
 assign (segid c and resid 14 and name c ) (segid c and resid 15 and name n ) 
        (segid c and resid 15 and name ca) (segid c and resid 15 and name c )
	(segid c and resid 16 and name n )     			  58.70 29.00
  !!    Q16
 assign (segid c and resid 15 and name c ) (segid c and resid 16 and name n ) 
        (segid c and resid 16 and name ca) (segid c and resid 16 and name c ) 
	(segid c and resid 17 and name n )    			  59.30 27.90
  !!    L17
 assign (segid c and resid 16 and name c ) (segid c and resid 17 and name n ) 
        (segid c and resid 17 and name ca) (segid c and resid 17 and name c ) 
	(segid c and resid 18 and name n )    			  58.20 42.60
  !!    L18
 assign (segid c and resid 17 and name c ) (segid c and resid 18 and name n ) 
        (segid c and resid 18 and name ca) (segid c and resid 18 and name c )
	(segid c and resid 19 and name n )     			  58.20 41.90
  !!    D19
assign  (segid c and resid 18 and name c ) (segid c and resid 19 and name n )
        (segid c and resid 19 and name ca) (segid c and resid 19 and name c )
        (segid c and resid 20 and name n )     			  57.40 39.00
  !!    V20
 assign (segid c and resid 19 and name c ) (segid c and resid 20 and name n ) 
        (segid c and resid 20 and name ca) (segid c and resid 20 and name c )
	(segid c and resid 21 and name n )     			  67.80 31.80
  !!    V21
 assign (segid c and resid 20 and name c ) (segid c and resid 21 and name n ) 
        (segid c and resid 21 and name ca) (segid c and resid 21 and name c )
	(segid c and resid 22 and name n )     			  66.50 32.20
  !!    K22
 assign (segid c and resid 21 and name c ) (segid c and resid 22 and name n ) 
        (segid c and resid 22 and name ca) (segid c and resid 22 and name c )
	(segid c and resid 23 and name n )     		          60.60 32.70
  !!    R23
 assign (segid c and resid 22 and name c ) (segid c and resid 23 and name n )
        (segid c and resid 23 and name ca) (segid c and resid 23 and name c )
	(segid c and resid 24 and name n ) 		       	  58.60 29.10
  !!    Q24
 assign (segid c and resid 23 and name c ) (segid c and resid 24 and name n )
        (segid c and resid 24 and name ca) (segid c and resid 24 and name c )
	(segid c and resid 25 and name n )   			  60.40  28.80
  !!    Q25
 assign (segid c and resid 24 and name c ) (segid c and resid 25 and name n )
        (segid c and resid 25 and name ca) (segid c and resid 25 and name c )
	(segid c and resid 26 and name n )   			  57.90 26.50
  !!    E26
 assign (segid c and resid 25 and name c ) (segid c and resid 26 and name n ) 
        (segid c and resid 26 and name ca) (segid c and resid 26 and name c ) 
	(segid c and resid 27 and name n )    			  59.60 28.90
  !!    L27
 assign (segid c and resid 26 and name c ) (segid c and resid 27 and name n )
        (segid c and resid 27 and name ca) (segid c and resid 27 and name c )
	(segid c and resid 28 and name n )     			  57.70 41.70
  !!    L28
 assign (segid c and resid 27 and name c ) (segid c and resid 28 and name n ) 
        (segid c and resid 28 and name ca) (segid c and resid 28 and name c )
	(segid c and resid 29 and name n )    			  58.60 41.90
  !!    R29
 assign (segid c and resid 28 and name c ) (segid c and resid 29 and name n ) 
        (segid c and resid 29 and name ca) (segid c and resid 29 and name c ) 
	(segid c and resid 30 and name n )    			  60.40 29.80
  !!    L30
 assign (segid c and resid 29 and name c ) (segid c and resid 30 and name n )
        (segid c and resid 30 and name ca) (segid c and resid 30 and name c )
        (segid c and resid 31 and name n )    			  58.80 41.40
  !!    T31
assign (segid c and resid 30 and name c ) (segid c and resid 31 and name n )
       (segid c and resid 31 and name ca) (segid c and resid 31 and name c )
       (segid c and resid 32 and name n )    			  68.00 68.90
  !!    V32
assign (segid c and resid 31 and name c ) (segid c and resid 32 and name n ) 
       (segid c and resid 32 and name ca) (segid c and resid 32 and name c ) 
       (segid c and resid 33 and name n )    			  68.00 32.20
  !!    W33
 assign (segid c and resid 32 and name c ) (segid c and resid 33 and name n )
        (segid c and resid 33 and name ca) (segid c and resid 33 and name c )
        (segid c and resid 34 and name n )    			  63.00 28.40
  !!    G34
 assign (segid c and resid 33 and name c ) (segid c and resid 34 and name n )
        (segid c and resid 34 and name ca) (segid c and resid 34 and name c )
        (segid c and resid 35 and name n )    			  47.90 0.00
  !!    T35
 assign (segid c and resid 34 and name c ) (segid c and resid 35 and name n )
        (segid c and resid 35 and name ca) (segid c and resid 35 and name c )
        (segid c and resid 36 and name n )    			  68.30 68.70
  !!    K36
 assign (segid c and resid 35 and name c ) (segid c and resid 36 and name n )
        (segid c and resid 36 and name ca) (segid c and resid 36 and name c )
        (segid c and resid 37 and name n )    			  60.30 32.70
  !!    N37
 assign (segid c and resid 36 and name c ) (segid c and resid 37 and name n ) 
       (segid c and resid 37 and name ca) (segid c and resid 37 and name c )   
 	(segid c and resid 38 and name n )  			  57.70 38.70
  !!    L38
 assign (segid c and resid 37 and name c ) (segid c and resid 38 and name n ) 
        (segid c and resid 38 and name ca) (segid c and resid 38 and name c ) 
	(segid c and resid 39 and name n )    			  58.00 42.10
  !!    Q39
 assign (segid c and resid 38 and name c ) (segid c and resid 39 and name n )
        (segid c and resid 39 and name ca) (segid c and resid 39 and name c )
        (segid c and resid 40 and name n )    			  59.50 28.40
  !!    T40
 assign (segid c and resid 39 and name c ) (segid c and resid 40 and name n )
        (segid c and resid 40 and name ca) (segid c and resid 40 and name c )
        (segid c and resid 41 and name n )    			  66.90 68.70
  !!    R41
 assign (segid c and resid 40 and name c ) (segid c and resid 41 and name n ) 
        (segid c and resid 41 and name ca) (segid c and resid 41 and name c )  
	(segid c and resid 42 and name n )   			  59.30 29.30
  !!    V42
 assign (segid c and resid 41 and name c ) (segid c and resid 42 and name n ) 
        (segid c and resid 42 and name ca) (segid c and resid 42 and name c ) 
	(segid c and resid 43 and name n )    			  67.50 31.60
  !!    T43
assign (segid c and resid 42 and name c ) (segid c and resid 43 and name n ) 
       (segid c and resid 43 and name ca) (segid c and resid 43 and name c )
       (segid c and resid 44 and name n )     			  66.80 68.70
  !!    A44
 assign (segid c and resid 43 and name c ) (segid c and resid 44 and name n ) 
        (segid c and resid 44 and name ca) (segid c and resid 44 and name c ) 
	(segid c and resid 45 and name n )    			  55.40 17.80
  !!    I45
 assign (segid c and resid 44 and name c ) (segid c and resid 45 and name n ) 
        (segid c and resid 45 and name ca) (segid c and resid 45 and name c )
	(segid c and resid 46 and name n )     			  65.90 38.80
  !!    E46
 assign (segid c and resid 45 and name c ) (segid c and resid 46 and name n ) 
        (segid c and resid 46 and name ca) (segid c and resid 46 and name c )
	(segid c and resid 47 and name n )     			  60.20 29.10
  !!    K47
 assign (segid c and resid 46 and name c ) (segid c and resid 47 and name n ) 
        (segid c and resid 47 and name ca) (segid c and resid 47 and name c )
	(segid c and resid 48 and name n )     			  59.60 32.30
  !!    Y48
 assign (segid c and resid 47 and name c ) (segid c and resid 48 and name n ) 
        (segid c and resid 48 and name ca) (segid c and resid 48 and name c )
	(segid c and resid 49 and name n )     			  61.70 38.70
  !!    L49
 assign (segid c and resid 48 and name c ) (segid c and resid 49 and name n ) 
        (segid c and resid 49 and name ca) (segid c and resid 49 and name c ) 
	(segid c and resid 50 and name n )    			  57.60 42.50
  !!    K50
 assign (segid c and resid 49 and name c ) (segid c and resid 50 and name n ) 
        (segid c and resid 50 and name ca) (segid c and resid 50 and name c )
	(segid c and resid 51 and name n )     			  59.50 32.20
  !!    D51
 assign (segid c and resid 50 and name c ) (segid c and resid 51 and name n ) 
        (segid c and resid 51 and name ca) (segid c and resid 51 and name c )
	(segid c and resid 52 and name n )     			  56.40 39.00
  !!    Q52
 assign (segid c and resid 51 and name c ) (segid c and resid 52 and name n ) 
        (segid c and resid 52 and name ca) (segid c and resid 52 and name c ) 
	(segid c and resid 53 and name n )    			  58.10 28.70
  !!    A53
 assign (segid c and resid 52 and name c ) (segid c and resid 53 and name n ) 
        (segid c and resid 53 and name ca) (segid c and resid 53 and name c ) 
	(segid c and resid 54 and name n )    			  54.50 18.30
  !!    Q54
 assign (segid c and resid 53 and name c ) (segid c and resid 54 and name n )
        (segid c and resid 54 and name ca) (segid c and resid 54 and name c )
	(segid c and resid 55 and name n )     			  57.50 28.70
  !!    L55
 assign (segid c and resid 54 and name c ) (segid c and resid 55 and name n )
        (segid c and resid 55 and name ca) (segid c and resid 55 and name c ) 
	(segid c and resid 56 and name n )    			  56.40 42.50
  !!    N56
 assign (segid c and resid 55 and name c ) (segid c and resid 56 and name n ) 
        (segid c and resid 56 and name ca) (segid c and resid 56 and name c )
	(segid c and resid 57 and name n )     			  54.10 38.80
  !!    A57
 assign (segid c and resid 56 and name c ) (segid c and resid 57 and name n ) 
        (segid c and resid 57 and name ca) (segid c and resid 57 and name c )
	(segid c and resid 58 and name n )     			  53.20 19.10
  !!    W58
 assign (segid c and resid 57 and name c ) (segid c and resid 58 and name n )
        (segid c and resid 58 and name ca) (segid c and resid 58 and name c )
	(segid c and resid 59 and name n )     			  57.70 29.40
  !!    G59
 assign (segid c and resid 58 and name c ) (segid c and resid 59 and name n ) 
        (segid c and resid 59 and name ca) (segid c and resid 59 and name c )
	(segid c and resid 60 and name n )     			  45.80 0.00
  !!    A60
 assign (segid c and resid 59 and name c ) (segid c and resid 60 and name n ) 
        (segid c and resid 60 and name ca) (segid c and resid 60 and name c )
	(segid c and resid 61 and name n )     			  53.10 18.70
  !!    A61
 assign (segid c and resid 60 and name c ) (segid c and resid 61 and name n ) 
        (segid c and resid 61 and name ca) (segid c and resid 61 and name c )
	(segid c and resid 62 and name n )     			  53.10 18.70
  !!    F62
 assign (segid c and resid 61 and name c ) (segid c and resid 62 and name n ) 
        (segid c and resid 62 and name ca) (segid c and resid 62 and name c ) 
	(segid c and resid 63 and name n )    			  58.00 39.10
  !!    R63
 assign (segid c and resid 62 and name c ) (segid c and resid 63 and name n ) 
        (segid c and resid 63 and name ca) (segid c and resid 63 and name c )
	(segid c and resid 64 and name n )     			  56.70 30.30
  !!    Q64
 assign (segid c and resid 63 and name c ) (segid c and resid 64 and name n ) 
        (segid c and resid 64 and name ca) (segid c and resid 64 and name c )
	(segid c and resid 65 and name n )     			  56.20 29.30
  !!    V65
 assign (segid c and resid 64 and name c ) (segid c and resid 65 and name n ) 
        (segid c and resid 65 and name ca) (segid c and resid 65 and name c )
	(segid c and resid 66 and name n )     			  62.30 33.00
  !!    A66
 assign (segid c and resid 65 and name c ) (segid c and resid 66 and name n ) 
        (segid c and resid 66 and name ca) (segid c and resid 66 and name c )
	(segid c and resid 67 and name n )     			  52.60 19.10
  !!    H67
 assign (segid c and resid 66 and name c ) (segid c and resid 67 and name n ) 
        (segid c and resid 67 and name ca) (segid c and resid 67 and name c )
	(segid c and resid 68 and name n )     			  55.20 28.70
  !!    T68
 assign (segid c and resid 67 and name c ) (segid c and resid 68 and name n ) 
        (segid c and resid 68 and name ca) (segid c and resid 68 and name c )
	(segid c and resid 69 and name n )     			  61.80 70.00
  !!    T69
 assign (segid c and resid 68 and name c ) (segid c and resid 69 and name n ) 
        (segid c and resid 69 and name ca) (segid c and resid 69 and name c )
	(segid c and resid 70 and name n )     			  62.10 70.00
  !!    V70
 assign (segid c and resid 69 and name c ) (segid c and resid 70 and name n ) 
        (segid c and resid 70 and name ca) (segid c and resid 70 and name c )
	(segid c and resid 71 and name n )     			  59.50 32.90
  !!    P71
 assign (segid c and resid 70 and name c ) (segid c and resid 71 and name n ) 
        (segid c and resid 71 and name ca) (segid c and resid 71 and name c )
	(segid c and resid 72 and name n )     			  63.00 31.10
  !!    W72
 assign (segid c and resid 71 and name c ) (segid c and resid 72 and name n ) 
        (segid c and resid 72 and name ca) (segid c and resid 72 and name c )
	(segid c and resid 73 and name n )     			  54.90 28.80
  !!    P73
 assign (segid c and resid 72 and name c ) (segid c and resid 73 and name n ) 
        (segid c and resid 73 and name ca) (segid c and resid 73 and name c )
	(segid c and resid 74 and name n )     			  63.30 31.50
  !!    N74
 assign (segid c and resid 73 and name c ) (segid c and resid 74 and name n ) 
        (segid c and resid 74 and name ca) (segid c and resid 74 and name c )
	(segid c and resid 75 and name n )     			  53.60 38.80
  !!    A75
 assign (segid c and resid 74 and name c ) (segid c and resid 75 and name n ) 
        (segid c and resid 75 and name ca) (segid c and resid 75 and name c )
	(segid c and resid 76 and name n )     			  53.00 19.10
  !!    S76
 assign (segid c and resid 75 and name c ) (segid c and resid 76 and name n ) 
        (segid c and resid 76 and name ca) (segid c and resid 76 and name c )
	(segid c and resid 77 and name n )     			  58.30 63.40
  !!    L77
 assign (segid c and resid 76 and name c ) (segid c and resid 77 and name n ) 
        (segid c and resid 77 and name ca) (segid c and resid 77 and name c )
	(segid c and resid 78 and name n )     			  55.60 42.50
  !!    T78
 assign (segid c and resid 77 and name c ) (segid c and resid 78 and name n ) 
        (segid c and resid 78 and name ca) (segid c and resid 78 and name c )
	(segid c and resid 79 and name n )     			  60.10 69.80
  !!    P79
 assign (segid c and resid 78 and name c ) (segid c and resid 79 and name n ) 
        (segid c and resid 79 and name ca) (segid c and resid 79 and name c )
	(segid c and resid 80 and name n )     			  63.40 32.00
  !!    K80
 assign (segid c and resid 79 and name c ) (segid c and resid 80 and name n ) 
        (segid c and resid 80 and name ca) (segid c and resid 80 and name c )
	(segid c and resid 81 and name n )     			  57.30 32.50
  !!    W81
 assign (segid c and resid 80 and name c ) (segid c and resid 81 and name n ) 
        (segid c and resid 81 and name ca) (segid c and resid 81 and name c )
	(segid c and resid 82 and name n )     			  57.10 29.30
  !!    N82
 assign (segid c and resid 81 and name c ) (segid c and resid 82 and name n ) 
        (segid c and resid 82 and name ca) (segid c and resid 82 and name c )
	(segid c and resid 83 and name n )     			  55.30 39.70
  !!    N83
 assign (segid c and resid 82 and name c ) (segid c and resid 83 and name n ) 
        (segid c and resid 83 and name ca) (segid c and resid 83 and name c )
	(segid c and resid 84 and name n )     			  55.70 38.80
  !!    E84
 assign (segid c and resid 83 and name c ) (segid c and resid 84 and name n ) 
        (segid c and resid 84 and name ca) (segid c and resid 84 and name c )
	(segid c and resid 85 and name n )     			  58.60 28.40
  !!    T85
 assign (segid c and resid 84 and name c ) (segid c and resid 85 and name n ) 
        (segid c and resid 85 and name ca) (segid c and resid 85 and name c )
	(segid c and resid 86 and name n )     			  65.30 69.80
  !!    W86
 assign (segid c and resid 85 and name c ) (segid c and resid 86 and name n ) 
        (segid c and resid 86 and name ca) (segid c and resid 86 and name c )
	(segid c and resid 87 and name n )     			  61.80 28.30
  !!    Q87
 assign (segid c and resid 86 and name c ) (segid c and resid 87 and name n ) 
        (segid c and resid 87 and name ca) (segid c and resid 87 and name c )
	(segid c and resid 88 and name n )     			  59.70 28.30
  !!    E88
 assign (segid c and resid 87 and name c ) (segid c and resid 88 and name n ) 
        (segid c and resid 88 and name ca) (segid c and resid 88 and name c )
	(segid c and resid 89 and name n )     			  58.90 28.20
  !!    W89
 assign (segid c and resid 88 and name c ) (segid c and resid 89 and name n ) 
        (segid c and resid 89 and name ca) (segid c and resid 89 and name c )
	(segid c and resid 90 and name n )     			  62.70 29.40
  !!    E90
 assign (segid c and resid 89 and name c ) (segid c and resid 90 and name n ) 
        (segid c and resid 90 and name ca) (segid c and resid 90 and name c )
	(segid c and resid 91 and name n )     			  59.80 29.00
  !!    R91
 assign (segid c and resid 90 and name c ) (segid c and resid 91 and name n ) 
        (segid c and resid 91 and name ca) (segid c and resid 91 and name c )
	(segid c and resid 92 and name n )     			  59.60 29.60
  !!    K92
 assign (segid c and resid 91 and name c ) (segid c and resid 92 and name n ) 
        (segid c and resid 92 and name ca) (segid c and resid 92 and name c )
	(segid c and resid 93 and name n )     			  59.50 32.80
  !!    V93
 assign (segid c and resid 92 and name c ) (segid c and resid 93 and name n ) 
        (segid c and resid 93 and name ca) (segid c and resid 93 and name c )
	(segid c and resid 94 and name n )     			  66.50 31.60
  !!    D94
 assign (segid c and resid 93 and name c ) (segid c and resid 94 and name n ) 
        (segid c and resid 94 and name ca) (segid c and resid 94 and name c )
	(segid c and resid 95 and name n )     			  57.00 38.30
  !!    F95
 assign (segid c and resid 94 and name c ) (segid c and resid 95 and name n ) 
        (segid c and resid 95 and name ca) (segid c and resid 95 and name c )
	(segid c and resid 96 and name n )     			  61.00 38.80
  !!    L96
 assign (segid c and resid 95 and name c ) (segid c and resid 96 and name n ) 
        (segid c and resid 96 and name ca) (segid c and resid 96 and name c )
	(segid c and resid 97 and name n )     			  58.60 43.20
  !!    E97
 assign (segid c and resid 96 and name c ) (segid c and resid 97 and name n ) 
        (segid c and resid 97 and name ca) (segid c and resid 97 and name c )
	(segid c and resid 98 and name n )     			  60.60 28.40
  !!    E98
 assign (segid c and resid 97 and name c ) (segid c and resid 98 and name n ) 
        (segid c and resid 98 and name ca) (segid c and resid 98 and name c )
	(segid c and resid 99 and name n )     			  58.90 27.90
  !!    N99
 assign (segid c and resid 98 and name c ) (segid c and resid 99 and name n ) 
        (segid c and resid 99 and name ca) (segid c and resid 99 and name c )
	(segid c and resid 100 and name n )    			  57.00 40.20
  !!    I100
 assign (segid c and resid 99 and name c ) (segid c and resid 100 and name n ) 
        (segid c and resid 100 and name ca) (segid c and resid 100 and name c )
	(segid c and resid 101 and name n )     		  66.50 38.80
  !!    T101
 assign (segid c and resid 100 and name c ) (segid c and resid 101 and name n ) 
        (segid c and resid 101 and name ca) (segid c and resid 101 and name c )
	(segid c and resid 102 and name n )     		  68.00 68.90
  !!    A102
 assign (segid c and resid 101 and name c ) (segid c and resid 102 and name n ) 
        (segid c and resid 102 and name ca) (segid c and resid 102 and name c )
	(segid c and resid 103 and name n )     		  55.50 18.00
  !!    L103
 assign (segid c and resid 102 and name c ) (segid c and resid 103 and name n ) 
        (segid c and resid 103 and name ca) (segid c and resid 103 and name c )
	(segid c and resid 104 and name n )    			  57.90 43.00
  !!    L104
 assign (segid c and resid 103 and name c ) (segid c and resid 104 and name n ) 
        (segid c and resid 104 and name ca) (segid c and resid 104 and name c )
	(segid c and resid 105 and name n )     		  58.10 41.90
  !!    E105
 assign (segid c and resid 104 and name c ) (segid c and resid 105 and name n ) 
        (segid c and resid 105 and name ca) (segid c and resid 105 and name c )
	(segid c and resid 106 and name n )     		  59.10 27.60
  !!    E106
 assign (segid c and resid 105 and name c ) (segid c and resid 106 and name n ) 
        (segid c and resid 106 and name ca) (segid c and resid 106 and name c )
	(segid c and resid 107 and name n )     		  59.00 27.70
  !!    A107
 assign (segid c and resid 106 and name c ) (segid c and resid 107 and name n ) 
        (segid c and resid 107 and name ca) (segid c and resid 107 and name c )
	(segid c and resid 108 and name n )    			  54.40 18.00
  !!    Q108
 assign (segid c and resid 107 and name c ) (segid c and resid 108 and name n ) 
        (segid c and resid 108 and name ca) (segid c and resid 108 and name c )
	(segid c and resid 109 and name n )    			  58.60 28.20
  !!    I109
 assign (segid c and resid 108 and name c ) (segid c and resid 109 and name n ) 
        (segid c and resid 109 and name ca) (segid c and resid 109 and name c )
	(segid c and resid 110 and name n )    			  64.80 37.90
  !!    Q110
 assign (segid c and resid 109 and name c ) (segid c and resid 110 and name n ) 
        (segid c and resid 110 and name ca) (segid c and resid 110 and name c )
	(segid c and resid 111 and name n )    			  58.20 28.50
  !!    Q111
 assign (segid c and resid 110 and name c ) (segid c and resid 111 and name n ) 
        (segid c and resid 111 and name ca) (segid c and resid 111 and name c )
	(segid c and resid 112 and name n )     		  58.50 28.80
  !!    E112
 assign (segid c and resid 111 and name c ) (segid c and resid 112 and name n ) 
        (segid c and resid 112 and name ca) (segid c and resid 112 and name c )
	(segid c and resid 113 and name n )     		  58.80 27.80
  !!    K113
 assign (segid c and resid 112 and name c ) (segid c and resid 113 and name n ) 
        (segid c and resid 113 and name ca) (segid c and resid 113 and name c )
	(segid c and resid 114 and name n )    			  59.90 32.10
  !!    N114
 assign (segid c and resid 113 and name c ) (segid c and resid 114 and name n ) 
        (segid c and resid 114 and name ca) (segid c and resid 114 and name c )
	(segid c and resid 115 and name n )    			  55.50 36.70
  !!    M115
 assign (segid c and resid 114 and name c ) (segid c and resid 115 and name n ) 
        (segid c and resid 115 and name ca) (segid c and resid 115 and name c )
	(segid c and resid 116 and name n )     		  58.50 32.00
  !!    Y116
 assign (segid c and resid 115 and name c ) (segid c and resid 116 and name n ) 
        (segid c and resid 116 and name ca) (segid c and resid 116 and name c )
	(segid c and resid 117 and name n )     		  61.10 37.70
  !!    E117
 assign (segid c and resid 116 and name c ) (segid c and resid 117 and name n ) 
        (segid c and resid 117 and name ca) (segid c and resid 117 and name c )
	(segid c and resid 118 and name n )     		  58.50 28.40
  !!    L118
 assign (segid c and resid 117 and name c ) (segid c and resid 118 and name n ) 
        (segid c and resid 118 and name ca) (segid c and resid 118 and name c )
	(segid c and resid 119 and name n )     		  58.10 42.20
  !!    K119
 assign (segid c and resid 118 and name c ) (segid c and resid 119 and name n ) 
        (segid c and resid 119 and name ca) (segid c and resid 119 and name c )
	(segid c and resid 120 and name n )     		  58.10 28.10
  !!    K120
 assign (segid c and resid 119 and name c ) (segid c and resid 120 and name n ) 
        (segid c and resid 120 and name ca) (segid c and resid 120 and name c )
	(segid c and resid 121 and name n )    			  56.60 32.10
  !!    L121
 assign (segid c and resid 120 and name c ) (segid c and resid 121 and name n ) 
        (segid c and resid 121 and name ca) (segid c and resid 121 and name c )
	(segid c and resid 122 and name n )    			  56.50 42.40
  !!    N122
 assign (segid c and resid 121 and name c ) (segid c and resid 122 and name n ) 
        (segid c and resid 122 and name ca) (segid c and resid 122 and name c )
	(segid c and resid 123 and name n )     		  53.60 39.20





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