*HEADER    TRANSCRIPTION                           31-AUG-06   2I7K              
*TITLE     SOLUTION STRUCTURE OF THE BROMODOMAIN OF HUMAN BRD7 PROTEIN           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: BROMODOMAIN-CONTAINING PROTEIN 7;                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: BROMODOMAIN;                                               
*COMPND   5 SYNONYM: 75 KDA BROMODOMAIN PROTEIN, PROTEIN CELTIX-1;               
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 STRAIN: BRAIN;                                                       
*SOURCE   5 GENE: BRD7;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET22B                                    
*KEYWDS    HELIX, LEFT-HANDED FOUR-HELIX BUNDLE                                  
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    H.SUN, J.LIU, J.ZHANG, H.HUANG, J.WU, Y.SHI                           
*REVDAT   1   10-JUL-07 2I7K    0                                                


brd7_dihed_rama_tal.tbl0100644000076600007640000003531210475474565014021 0ustar  sunuser!
assign (resid 6 and name c)  (resid 7 and name n)
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assign (resid 7 and name n)  (resid 7 and name ca)
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!
assign (resid 7 and name c)  (resid 8 and name n)
         (resid 8 and name ca) (resid 8 and name c)     1.0  -65.70  8.41 2
assign (resid 8 and name n)  (resid 8 and name ca)
         (resid 8 and name c)  (resid 9 and name n)     1.0  -39.30  4.66 2
!
assign (resid 8 and name c)  (resid 9 and name n)
         (resid 9 and name ca) (resid 9 and name c)     1.0  -61.18 4.68 2
assign (resid 9 and name n)  (resid 9 and name ca)
         (resid 9 and name c)  (resid 10 and name n)     1.0  -39.06 4.17 2
!
assign (resid 9 and name c)  (resid 10 and name n)
         (resid 10 and name ca) (resid 10 and name c)     1.0  -63.57 2.86 2
assign (resid 10 and name n)  (resid 10 and name ca)
         (resid 10 and name c)  (resid 11 and name n)     1.0  -43.55 3.02 2
!
assign (resid 10 and name c)  (resid 11 and name n)
         (resid 11 and name ca) (resid 11 and name c)     1.0  -63.91 5.60 2
assign (resid 11 and name n)  (resid 11 and name ca)
         (resid 11 and name c)  (resid 12 and name n)     1.0  -41.15 6.31 2
!
assign (resid 11 and name c)  (resid 12 and name n)
         (resid 12 and name ca) (resid 12 and name c)     1.0  -64.22 8.34 2
assign (resid 12 and name n)  (resid 12 and name ca)
         (resid 12 and name c)  (resid 13 and name n)     1.0  -39.96 5.18 2
!
assign (resid 12 and name c)  (resid 13 and name n)
         (resid 13 and name ca) (resid 13 and name c)     1.0  -63.18 4.05 2
assign (resid 13 and name n)  (resid 13 and name ca)
         (resid 13 and name c)  (resid 14 and name n)     1.0  -39.70 5.83 2
!
assign (resid 13 and name c)  (resid 14 and name n)
         (resid 14 and name ca) (resid 14 and name c)     1.0  -68.21 3.07 2
assign (resid 14 and name n)  (resid 14 and name ca)
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!
assign (resid 14 and name c)  (resid 15 and name n)
         (resid 15 and name ca) (resid 15 and name c)     1.0  -63.07 8.03 2
assign (resid 15 and name n)  (resid 15 and name ca)
         (resid 15 and name c)  (resid 16 and name n)     1.0  -36.78 9.14 2
!
assign (resid 15 and name c)  (resid 16 and name n)
         (resid 16 and name ca) (resid 16 and name c)     1.0  -63.06 5.13 2
assign (resid 16 and name n)  (resid 16 and name ca)
         (resid 16 and name c)  (resid 17 and name n)     1.0  -39.04  7.53 2
!
assign (resid 16 and name c)  (resid 17 and name n)
         (resid 17 and name ca) (resid 17 and name c)     1.0  -64.32 6.09 2
assign (resid 17 and name n)  (resid 17 and name ca)
         (resid 17 and name c)  (resid 18 and name n)     1.0  -41.39 4.43 2
!
assign (resid 17 and name c)  (resid 18 and name n)
         (resid 18 and name ca) (resid 18 and name c)     1.0  -64.46 4.72 2
assign (resid 18 and name n)  (resid 18 and name ca)
         (resid 18 and name c)  (resid 19 and name n)     1.0  -42.56 6.23 2
!
assign (resid 18 and name c)  (resid 19 and name n)
         (resid 19 and name ca) (resid 19 and name c)     1.0  -64.63 5.97 2
assign (resid 19 and name n)  (resid 19 and name ca)
         (resid 19 and name c)  (resid 20 and name n)     1.0  -38.90 6.74 2
!
assign (resid 19 and name c)  (resid 20 and name n)
         (resid 20 and name ca) (resid 20 and name c)     1.0  -63.35 4.44 2
assign (resid 20 and name n)  (resid 20 and name ca)
         (resid 20 and name c)  (resid 21 and name n)     1.0  -41.81 4.73 2
!
assign (resid 20 and name c)  (resid 21 and name n)
         (resid 21 and name ca) (resid 21 and name c)     1.0  -68.27 7.12 2
assign (resid 21 and name n)  (resid 21 and name ca)
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!
assign (resid 39 and name c)  (resid 40 and name n)
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assign (resid 40 and name n)  (resid 40 and name ca)
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!
assign (resid 40 and name c)  (resid 41 and name n)
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assign (resid 41 and name n)  (resid 41 and name ca)
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!
assign (resid 41 and name c)  (resid 42 and name n)
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assign (resid 42 and name n)  (resid 42 and name ca)
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!
assign (resid 49 and name c)  (resid 50 and name n)
         (resid 50 and name ca) (resid 50 and name c)     1.0  -57.77  4.89 2
assign (resid 50 and name n)  (resid 50 and name ca)
         (resid 50 and name c)  (resid 51 and name n)     1.0  -37.14  7.33 2
!
assign (resid 50 and name c)  (resid 51 and name n)
         (resid 51 and name ca) (resid 51 and name c)     1.0  -67.41  5.09 2
assign (resid 51 and name n)  (resid 51 and name ca)
         (resid 51 and name c)  (resid 52 and name n)     1.0  -34.74  6.52 2
!
assign (resid 51 and name c)  (resid 52 and name n)
         (resid 52 and name ca) (resid 52 and name c)     1.0  -66.25  5.60 2
assign (resid 52 and name n)  (resid 52 and name ca)
         (resid 52 and name c)  (resid 53 and name n)     1.0  -41.98  8.94 2
!
assign (resid 52 and name c)  (resid 53 and name n)
         (resid 53 and name ca) (resid 53 and name c)     1.0  -61.97  6.58 2
assign (resid 53 and name n)  (resid 53 and name ca)
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!
assign (resid 53 and name c)  (resid 54 and name n)
         (resid 54 and name ca) (resid 54 and name c)     1.0  -65.66  6.29 2
assign (resid 54 and name n)  (resid 54 and name ca)
         (resid 54 and name c)  (resid 55 and name n)     1.0  -39.17  4.96 2
!
assign (resid 54 and name c)  (resid 55 and name n)
         (resid 55 and name ca) (resid 55 and name c)     1.0  -67.33  4.24 2
assign (resid 55 and name n)  (resid 55 and name ca)
         (resid 55 and name c)  (resid 56 and name n)     1.0  -41.05  5.87 2
!
assign (resid 55 and name c)  (resid 56 and name n)
         (resid 56 and name ca) (resid 56 and name c)     1.0  -64.63  3.75 2
assign (resid 56 and name n)  (resid 56 and name ca)
         (resid 56 and name c)  (resid 57 and name n)     1.0  -40.76  5.26 2
!
assign (resid 56 and name c)  (resid 57 and name n)
         (resid 57 and name ca) (resid 57 and name c)     1.0  -65.02  5.37 2
assign (resid 57 and name n)  (resid 57 and name ca)
         (resid 57 and name c)  (resid 58 and name n)     1.0  -45.57  4.82 2
!
assign (resid 57 and name c)  (resid 58 and name n)
         (resid 58 and name ca) (resid 58 and name c)     1.0  -64.18  4.38 2
assign (resid 58 and name n)  (resid 58 and name ca)
         (resid 58 and name c)  (resid 59 and name n)     1.0  -28.76  9.07 2
!
assign (resid 64 and name c)  (resid 65 and name n)
         (resid 65 and name ca) (resid 65 and name c)     1.0  -59.90 5.69 2
assign (resid 65 and name n)  (resid 65 and name ca)
         (resid 65 and name c)  (resid 66 and name n)     1.0  -37.93 8.95 2
!
assign (resid 65 and name c)  (resid 66 and name n)
         (resid 66 and name ca) (resid 66 and name c)     1.0  -62.22 7.21 2
assign (resid 66 and name n)  (resid 66 and name ca)
         (resid 66 and name c)  (resid 67 and name n)     1.0  -38.98 6.02 2
!
assign (resid 66 and name c)  (resid 67 and name n)
         (resid 67 and name ca) (resid 67 and name c)     1.0  -66.31 2.82 2
assign (resid 67 and name n)  (resid 67 and name ca)
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!
assign (resid 67 and name c)  (resid 68 and name n)
         (resid 68 and name ca) (resid 68 and name c)     1.0  -64.83 7.22 2
assign (resid 68 and name n)  (resid 68 and name ca)
         (resid 68 and name c)  (resid 69 and name n)     1.0  -40.76 10.85 2
!
assign (resid 68 and name c)  (resid 69 and name n)
         (resid 69 and name ca) (resid 69 and name c)     1.0  -65.30 6.58 2
assign (resid 69 and name n)  (resid 69 and name ca)
         (resid 69 and name c)  (resid 70 and name n)     1.0  -41.68 4.54 2
!
assign (resid 69 and name c)  (resid 70 and name n)
         (resid 70 and name ca) (resid 70 and name c)     1.0  -65.50 7.57 2
assign (resid 70 and name n)  (resid 70 and name ca)
         (resid 70 and name c)  (resid 71 and name n)     1.0  -35.98 9.86 2
!
assign (resid 70 and name c)  (resid 71 and name n)
         (resid 71 and name ca) (resid 71 and name c)     1.0  -68.57 6.05 2
assign (resid 71 and name n)  (resid 71 and name ca)
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!
assign (resid 71 and name c)  (resid 72 and name n)
         (resid 72 and name ca) (resid 72 and name c)     1.0  -63.96 4.82 2
assign (resid 72 and name n)  (resid 72 and name ca)
         (resid 72 and name c)  (resid 73 and name n)     1.0  -43.54 6.68 2
!
assign (resid 72 and name c)  (resid 73 and name n)
         (resid 73 and name ca) (resid 73 and name c)     1.0  -61.84 5.24 2
assign (resid 73 and name n)  (resid 73 and name ca)
         (resid 73 and name c)  (resid 74 and name n)     1.0  -42.38 6.31 2
!
assign (resid 73 and name c)  (resid 74 and name n)
         (resid 74 and name ca) (resid 74 and name c)     1.0  -66.25 5.71 2
assign (resid 74 and name n)  (resid 74 and name ca)
         (resid 74 and name c)  (resid 75 and name n)     1.0  -41.78 2.81 2
!
assign (resid 74 and name c)  (resid 75 and name n)
         (resid 75 and name ca) (resid 75 and name c)     1.0  -62.63 3.48 2
assign (resid 75 and name n)  (resid 75 and name ca)
         (resid 75 and name c)  (resid 76 and name n)     1.0  -43.39 2.78 2
!
assign (resid 75 and name c)  (resid 76 and name n)
         (resid 76 and name ca) (resid 76 and name c)     1.0  -62.70 4.26 2
assign (resid 76 and name n)  (resid 76 and name ca)
         (resid 76 and name c)  (resid 77 and name n)     1.0  -42.92 6.67 2
!
assign (resid 76 and name c)  (resid 77 and name n)
         (resid 77 and name ca) (resid 77 and name c)     1.0  -67.73 4.15 2
assign (resid 77 and name n)  (resid 77 and name ca)
         (resid 77 and name c)  (resid 78 and name n)     1.0  -42.32 7.71 2
!
assign (resid 77 and name c)  (resid 78 and name n)
         (resid 78 and name ca) (resid 78 and name c)     1.0  -65.58 4.84 2
assign (resid 78 and name n)  (resid 78 and name ca)
         (resid 78 and name c)  (resid 79 and name n)     1.0  -41.43 8.66 2
!
assign (resid 78 and name c)  (resid 79 and name n)
         (resid 79 and name ca) (resid 79 and name c)     1.0  -67.37 7.08 2
assign (resid 79 and name n)  (resid 79 and name ca)
         (resid 79 and name c)  (resid 80 and name n)     1.0  -37.72 4.71 2
!
assign (resid 79 and name c)  (resid 80 and name n)
         (resid 80 and name ca) (resid 80 and name c)     1.0  -70.97 12.61 2
!
assign (resid 88 and name c)  (resid 89 and name n)
         (resid 89 and name ca) (resid 89 and name c)     1.0  -65.94 7.07 2
assign (resid 89 and name n)  (resid 89 and name ca)
         (resid 89 and name c)  (resid 90 and name n)     1.0  -38.67 7.90 2
!
assign (resid 89 and name c)  (resid 90 and name n)
         (resid 90 and name ca) (resid 90 and name c)     1.0  -59.74 5.50 2
assign (resid 90 and name n)  (resid 90 and name ca)
         (resid 90 and name c)  (resid 91 and name n)     1.0  -45.22 4.58 2
!
assign (resid 90 and name c)  (resid 91 and name n)
         (resid 91 and name ca) (resid 91 and name c)     1.0  -64.22 5.71 2
assign (resid 91 and name n)  (resid 91 and name ca)
         (resid 91 and name c)  (resid 92 and name n)     1.0  -40.74 6.56 2
!
assign (resid 91 and name c)  (resid 92 and name n)
         (resid 92 and name ca) (resid 92 and name c)     1.0  -63.16 5.54 2
assign (resid 92 and name n)  (resid 92 and name ca)
         (resid 92 and name c)  (resid 93 and name n)     1.0  -40.70 5.93 2
!
assign (resid 92 and name c)  (resid 93 and name n)
         (resid 93 and name ca) (resid 93 and name c)     1.0  -66.91 5.76 2
assign (resid 93 and name n)  (resid 93 and name ca)
         (resid 93 and name c)  (resid 94 and name n)     1.0  -42.15 3.28 2
!
assign (resid 93 and name c)  (resid 94 and name n)
         (resid 94 and name ca) (resid 94 and name c)     1.0  -65.43 6.99 2
assign (resid 94 and name n)  (resid 94 and name ca)
         (resid 94 and name c)  (resid 95 and name n)     1.0  -38.44 9.38 2
!
assign (resid 94 and name c)  (resid 95 and name n)
         (resid 95 and name ca) (resid 95 and name c)     1.0  -65.55 4.88 2
assign (resid 95 and name n)  (resid 95 and name ca)
         (resid 95 and name c)  (resid 96 and name n)     1.0  -38.92 12.17 2
!
assign (resid 95 and name c)  (resid 96 and name n)
         (resid 96 and name ca) (resid 96 and name c)     1.0  -66.57 3.59 2
assign (resid 96 and name n)  (resid 96 and name ca)
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!
assign (resid 96 and name c)  (resid 97 and name n)
         (resid 97 and name ca) (resid 97 and name c)     1.0  -60.39 6.08 2
assign (resid 97 and name n)  (resid 97 and name ca)
         (resid 97 and name c)  (resid 98 and name n)     1.0  -40.18 5.30 2
!
assign (resid 97 and name c)  (resid 98 and name n)
         (resid 98 and name ca) (resid 98 and name c)     1.0  -63.45 2.63 2
assign (resid 98 and name n)  (resid 98 and name ca)
         (resid 98 and name c)  (resid 99 and name n)     1.0  -39.58 4.30 2
!
assign (resid 98 and name c)  (resid 99 and name n)
         (resid 99 and name ca) (resid 99 and name c)     1.0  -64.78 6.52 2
assign (resid 99 and name n)  (resid 99 and name ca)
         (resid 99 and name c)  (resid 100 and name n)     1.0  -39.68 7.69 2
!
assign (resid 99 and name c)  (resid 100 and name n)
         (resid 100 and name ca) (resid 100 and name c)     1.0  -62.14 6.39 2
assign (resid 100 and name n)  (resid 100 and name ca)
         (resid 100 and name c)  (resid 101 and name n)     1.0  -40.38 7.90 2
!
assign (resid 100 and name c)  (resid 101 and name n)
         (resid 101 and name ca) (resid 101 and name c)     1.0  -62.63 7.63 2
assign (resid 101 and name n)  (resid 101 and name ca)
         (resid 101 and name c)  (resid 102 and name n)     1.0  -38.12 10.38 2
!
assign (resid 101 and name c)  (resid 102 and name n)
         (resid 102 and name ca) (resid 102 and name c)     1.0  -67.55 6.27 2
assign (resid 102 and name n)  (resid 102 and name ca)
         (resid 102 and name c)  (resid 103 and name n)     1.0  -38.14 8.77 2
!
assign (resid 102 and name c)  (resid 103 and name n)
         (resid 103 and name ca) (resid 103 and name c)     1.0  -66.97 9.73 2
assign (resid 103 and name n)  (resid 103 and name ca)
         (resid 103 and name c)  (resid 104 and name n)     1.0  -41.73 6.50 2

brd7_hbond.tbl0100644000076600007640000001352410475474622012171 0ustar  sunuserassign (resid 12  and name hn ) (resid 8   and name o ) 1.80 0.00 0.50
assign (resid 12  and name  n ) (resid 8   and name o ) 2.70 0.10 0.50
assign (resid 13  and name hn ) (resid 9   and name o ) 1.80 0.00 0.50
assign (resid 13  and name  n ) (resid 9   and name o ) 2.70 0.10 0.50
assign (resid 14  and name hn ) (resid 10  and name o ) 1.80 0.00 0.50
assign (resid 14  and name  n ) (resid 10  and name o ) 2.70 0.10 0.50
assign (resid 15  and name hn ) (resid 11  and name o ) 1.80 0.00 0.50
assign (resid 15  and name  n ) (resid 11  and name o ) 2.70 0.10 0.50
assign (resid 16  and name hn ) (resid 12  and name o ) 1.80 0.00 0.50
assign (resid 16  and name  n ) (resid 12  and name o ) 2.70 0.10 0.50
assign (resid 17  and name hn ) (resid 13  and name o ) 1.80 0.00 0.50
assign (resid 17  and name  n ) (resid 13  and name o ) 2.70 0.10 0.50
assign (resid 18  and name hn ) (resid 14  and name o ) 1.80 0.00 0.50
assign (resid 18  and name  n ) (resid 14  and name o ) 2.70 0.10 0.50
assign (resid 19  and name hn ) (resid 15  and name o ) 1.80 0.00 0.50
assign (resid 19  and name  n ) (resid 15  and name o ) 2.70 0.10 0.50
assign (resid 20  and name hn ) (resid 16 and name o ) 1.80 0.00 0.50
assign (resid 20  and name  n ) (resid 16 and name o ) 2.70 0.10 0.50
assign (resid 44  and name hn ) (resid 40  and name o ) 1.80 0.00 0.50
assign (resid 44  and name  n ) (resid 40  and name o ) 2.70 0.10 0.50
assign (resid 54  and name hn ) (resid 50  and name o ) 1.80 0.00 0.50
assign (resid 54  and name  n ) (resid 50  and name o ) 2.70 0.10 0.50
assign (resid 55  and name hn ) (resid 51  and name o ) 1.80 0.00 0.50
assign (resid 55  and name  n ) (resid 51  and name o ) 2.70 0.10 0.50
assign (resid 56  and name hn ) (resid 52 and name o ) 1.80 0.00 0.50
assign (resid 56  and name  n ) (resid 52 and name o ) 2.70 0.10 0.50
assign (resid 57  and name hn ) (resid 53  and name o ) 1.80 0.00 0.50
assign (resid 57  and name  n ) (resid 53  and name o ) 2.70 0.10 0.50
assign (resid 58  and name hn ) (resid 54  and name o ) 1.80 0.00 0.50
assign (resid 58  and name  n ) (resid 54  and name o ) 2.70 0.10 0.50
assign (resid 69  and name hn ) (resid 65  and name o ) 1.80 0.00 0.50
assign (resid 69  and name  n ) (resid 65  and name o ) 2.70 0.10 0.50
assign (resid 70  and name hn ) (resid 66  and name o ) 1.80 0.00 0.50
assign (resid 70  and name  n ) (resid 66  and name o ) 2.70 0.10 0.50
assign (resid 71  and name hn ) (resid 67  and name o ) 1.80 0.00 0.50
assign (resid 71  and name  n ) (resid 67  and name o ) 2.70 0.10 0.50
assign (resid 72  and name hn ) (resid 68  and name o ) 1.80 0.00 0.50
assign (resid 72  and name  n ) (resid 68  and name o ) 2.70 0.10 0.50
assign (resid 73  and name hn ) (resid 69  and name o ) 1.80 0.00 0.50
assign (resid 73  and name  n ) (resid 69  and name o ) 2.70 0.10 0.50
assign (resid 74  and name hn ) (resid 70  and name o ) 1.80 0.00 0.50
assign (resid 74  and name  n ) (resid 70  and name o ) 2.70 0.10 0.50
assign (resid 75  and name hn ) (resid 71  and name o ) 1.80 0.00 0.50
assign (resid 75  and name  n ) (resid 71  and name o ) 2.70 0.10 0.50
assign (resid 76  and name hn ) (resid 72  and name o ) 1.80 0.00 0.50
assign (resid 76  and name  n ) (resid 72  and name o ) 2.70 0.10 0.50
assign (resid 77  and name hn ) (resid 73  and name o ) 1.80 0.00 0.50
assign (resid 77  and name  n ) (resid 73  and name o ) 2.70 0.10 0.50
assign (resid 78  and name hn ) (resid 74  and name o ) 1.80 0.00 0.50
assign (resid 78  and name  n ) (resid 74  and name o ) 2.70 0.10 0.50
assign (resid 79  and name hn ) (resid 75  and name o ) 1.80 0.00 0.50
assign (resid 79  and name  n ) (resid 75  and name o ) 2.70 0.10 0.50
assign (resid 80  and name hn ) (resid 76  and name o ) 1.80 0.00 0.50
assign (resid 80  and name  n ) (resid 76  and name o ) 2.70 0.10 0.50
assign (resid 81  and name hn ) (resid 77  and name o ) 1.80 0.00 0.50
assign (resid 81  and name  n ) (resid 77  and name o ) 2.70 0.10 0.50
assign (resid 82  and name hn ) (resid 78  and name o ) 1.80 0.00 0.50
assign (resid 82  and name  n ) (resid 78  and name o ) 2.70 0.10 0.50
assign (resid 92  and name hn ) (resid 88  and name o ) 1.80 0.00 0.50
assign (resid 92  and name  n ) (resid 88  and name o ) 2.70 0.10 0.50
assign (resid 93  and name hn ) (resid 89  and name o ) 1.80 0.00 0.50
assign (resid 93  and name  n ) (resid 89  and name o ) 2.70 0.10 0.50
assign (resid 94  and name hn ) (resid 90  and name o ) 1.80 0.00 0.50
assign (resid 94  and name  n ) (resid 90  and name o ) 2.70 0.10 0.50
assign (resid 95  and name hn ) (resid 91  and name o ) 1.80 0.00 0.50
assign (resid 95  and name  n ) (resid 91  and name o ) 2.70 0.10 0.50
assign (resid 96  and name hn ) (resid 92  and name o ) 1.80 0.00 0.50
assign (resid 96  and name  n ) (resid 92  and name o ) 2.70 0.10 0.50
assign (resid 97  and name hn ) (resid 93  and name o ) 1.80 0.00 0.50
assign (resid 97  and name  n ) (resid 93  and name o ) 2.70 0.10 0.50
assign (resid 98  and name hn ) (resid 94  and name o ) 1.80 0.00 0.50
assign (resid 98  and name  n ) (resid 94  and name o ) 2.70 0.10 0.50
assign (resid 99  and name hn ) (resid 95  and name o ) 1.80 0.00 0.50
assign (resid 99  and name  n ) (resid 95  and name o ) 2.70 0.10 0.50
assign (resid 100  and name hn ) (resid 96  and name o ) 1.80 0.00 0.50
assign (resid 100  and name  n ) (resid 96  and name o ) 2.70 0.10 0.50
assign (resid 101  and name hn ) (resid 97  and name o ) 1.80 0.00 0.50
assign (resid 101  and name  n ) (resid 97  and name o ) 2.70 0.10 0.50
assign (resid 102  and name hn ) (resid 98  and name o ) 1.80 0.00 0.50
assign (resid 102  and name  n ) (resid 98  and name o ) 2.70 0.10 0.50
assign (resid 103  and name hn ) (resid 99  and name o ) 1.80 0.00 0.50
assign (resid 103  and name  n ) (resid 99  and name o ) 2.70 0.10 0.50
assign (resid 104  and name hn ) (resid 100  and name o ) 1.80 0.00 0.50
assign (resid 104  and name  n ) (resid 100  and name o ) 2.70 0.10 0.50
brd7_noe.tbl0100644000076600007640000035657410475476700011676 0ustar  sunuser!E1
assign (resid  1 and name ha  ) (resid  2 and name hn  ) 1.80 0.00 2.20
assign (resid  1 and name ha  ) (resid  4 and name hn  ) 1.80 0.00 3.20
assign (resid  1 and name hb# ) (resid  2 and name hn  ) 1.80 0.00 2.20
!E2
assign (resid  2 and name ha  ) (resid  2 and name hn  ) 1.80 0.00 2.20
assign (resid  2 and name ha  ) (resid  3 and name hn  ) 1.80 0.00 2.20
assign (resid  2 and name ha  ) (resid  5 and name hn  ) 1.80 0.00 3.20
!V3
assign (resid  3 and name ha  ) (resid  3 and name hn  ) 1.80 0.00 2.20
assign (resid  3 and name ha  ) (resid  4 and name hn  ) 1.80 0.00 2.20
assign (resid  3 and name ha  ) (resid  5 and name hn  ) 1.80 0.00 3.20
assign (resid  3 and name ha  ) (resid  5 and name he21  ) 1.80 0.00 4.20
assign (resid  3 and name ha  ) (resid  5 and name he22  ) 1.80 0.00 4.20
assign (resid  3 and name ha  ) (resid  6 and name hn  ) 1.80 0.00 4.20
assign (resid  3 and name hb  ) (resid  3 and name hn  ) 1.80 0.00 2.20
assign (resid  3 and name hb  ) (resid  4 and name hn  ) 1.80 0.00 2.20
assign (resid  3 and name hg* ) (resid  3 and name hn  ) 1.80 0.00 2.20
assign (resid  3 and name hg* ) (resid  4 and name hn  ) 1.80 0.00 2.70
assign (resid  3 and name hg* ) (resid  5 and name hn  ) 1.80 0.00 3.20
assign (resid  3 and name hg* ) (resid  5 and name he21  ) 1.80 0.00 4.20
assign (resid  3 and name hg* ) (resid  5 and name he22  ) 1.80 0.00 4.20
assign (resid  3 and name hn  ) (resid  4 and name hn  ) 1.80 0.00 1.20
!E4
assign (resid  4 and name ha  ) (resid  4 and name hn  ) 1.80 0.00 2.20
assign (resid  4 and name ha  ) (resid  5 and name hn  ) 1.80 0.00 2.20
assign (resid  4 and name ha  ) (resid  6 and name hn  ) 1.80 0.00 3.20
assign (resid  4 and name hb# ) (resid  5 and name hn  ) 1.80 0.00 2.20
assign (resid  4 and name hb# ) (resid  6 and name hn  ) 1.80 0.00 3.20
!Q5
assign (resid  5 and name ha  ) (resid  5 and name hn  ) 1.80 0.00 1.20
assign (resid  5 and name ha  ) (resid  6 and name hn  ) 1.80 0.00 2.20
assign (resid  5 and name ha  ) (resid  8 and name hn  ) 1.80 0.00 2.70
assign (resid  5 and name hb1 ) (resid  6 and name hn  ) 1.80 0.00 2.20
assign (resid  5 and name hb2 ) (resid  6 and name hn  ) 1.80 0.00 2.20
assign (resid  5 and name hg# ) (resid  5 and name hn  ) 1.80 0.00 2.20
assign (resid  5 and name hg# ) (resid  6 and name hn  ) 1.80 0.00 2.70
assign (resid  5 and name hn  ) (resid  6 and name hn  ) 1.80 0.00 1.20
assign (resid  5 and name hn  ) (resid  7 and name hd# ) 1.80 0.00 3.20
!T6
assign (resid  6 and name ha  ) (resid  6 and name hn  ) 1.80 0.00 1.20
assign (resid  6 and name ha  ) (resid  8 and name hn  ) 1.80 0.00 2.70
assign (resid  6 and name ha  ) (resid  9 and name hn  ) 1.80 0.00 2.20
assign (resid  6 and name hb  ) (resid  6 and name hn  ) 1.80 0.00 2.20
assign (resid  6 and name hg2# ) (resid  6 and name hn  ) 1.80 0.00 2.20
assign (resid  6 and name hg2# ) (resid 60 and name hd21  ) 1.80 0.00 3.20
assign (resid  6 and name hg2# ) (resid 60 and name hd22  ) 1.80 0.00 3.20
assign (resid  6 and name hn  ) (resid  7 and name hd# ) 1.80 0.00 2.20
assign (resid  6 and name hn  ) (resid  8 and name hn  ) 1.80 0.00 3.20
!P7
assign (resid  7 and name ha  ) (resid  8 and name hn  ) 1.80 0.00 2.20
assign (resid  7 and name ha  ) (resid  9 and name hn  ) 1.80 0.00 3.20
assign (resid  7 and name ha  ) (resid 10 and name hn  ) 1.80 0.00 2.20
assign (resid  7 and name hb1 ) (resid  8 and name hn  ) 1.80 0.00 2.20
assign (resid  7 and name hb2 ) (resid  8 and name hn  ) 1.80 0.00 2.20
assign (resid  7 and name hd# ) (resid  8 and name hn  ) 1.80 0.00 1.70
assign (resid  7 and name hd# ) (resid  9 and name hn  ) 1.80 0.00 3.20
!L8
assign (resid  8 and name ha  ) (resid  8 and name hn  ) 1.80 0.00 1.20
assign (resid  8 and name ha  ) (resid  9 and name hn  ) 1.80 0.00 2.20
assign (resid  8 and name ha  ) (resid 10 and name hn  ) 1.80 0.00 3.20
assign (resid  8 and name ha  ) (resid 11 and name hn  ) 1.80 0.00 2.20
assign (resid  8 and name hb1 ) (resid  8 and name hn  ) 1.80 0.00 2.20
assign (resid  8 and name hb2 ) (resid  8 and name hn  ) 1.80 0.00 2.20
assign (resid  8 and name hb# ) (resid  8 and name hn  ) 1.80 0.00 1.20
assign (resid  8 and name hb1 ) (resid  9 and name hn  ) 1.80 0.00 2.20
assign (resid  8 and name hb2 ) (resid  9 and name hn  ) 1.80 0.00 2.20
assign (resid  8 and name hd* ) (resid  8 and name hn  ) 1.80 0.00 3.20
assign (resid  8 and name hd* ) (resid 11 and name hn  ) 1.80 0.00 4.20
assign (resid  8 and name hd* ) (resid 64 and name hn  ) 1.80 0.00 3.20
assign (resid  8 and name hd* ) (resid 65 and name hn  ) 1.80 0.00 4.20
assign (resid  8 and name hn  ) (resid  9 and name hn  ) 1.80 0.00 1.20
!Q9
assign (resid  9 and name ha  ) (resid  9 and name hn  ) 1.80 0.00 1.20
assign (resid  9 and name ha  ) (resid 10 and name hn  ) 1.80 0.00 2.20
assign (resid  9 and name ha  ) (resid 11 and name hn  ) 1.80 0.00 3.20
assign (resid  9 and name ha  ) (resid 12 and name hn  ) 1.80 0.00 2.20
assign (resid  9 and name hb# ) (resid  9 and name hn  ) 1.80 0.00 1.70
assign (resid  9 and name hb# ) (resid 10 and name hn  ) 1.80 0.00 2.20
assign (resid  9 and name hg# ) (resid  9 and name hn  ) 1.80 0.00 3.20
assign (resid  9 and name he21 ) (resid 57 and name hg2# ) 1.80 0.00 4.20
assign (resid  9 and name he22 ) (resid 57 and name hg2# ) 1.80 0.00 4.20
assign (resid  9 and name he21 ) (resid 58 and name ha  ) 1.80 0.00 2.20
assign (resid  9 and name he22 ) (resid 58 and name ha  ) 1.80 0.00 2.20
assign (resid  9 and name he21 ) (resid 58 and name hb# ) 1.80 0.00 3.20
assign (resid  9 and name he22 ) (resid 58 and name hb# ) 1.80 0.00 3.20
assign (resid  9 and name he2# ) (resid 58 and name hn  ) 1.80 0.00 4.20
assign (resid  9 and name he2# ) (resid 59 and name hn  ) 1.80 0.00 3.20
assign (resid  9 and name he21 ) (resid 59 and name ha  ) 1.80 0.00 3.20
assign (resid  9 and name he22 ) (resid 59 and name ha  ) 1.80 0.00 3.20
assign (resid  9 and name he21 ) (resid 60 and name hb# ) 1.80 0.00 3.20
assign (resid  9 and name he22 ) (resid 60 and name hb# ) 1.80 0.00 3.20
assign (resid  9 and name he21 ) (resid 60 and name hn  ) 1.80 0.00 2.20
assign (resid  9 and name he22 ) (resid 60 and name hn  ) 1.80 0.00 2.20
assign (resid  9 and name hn  ) (resid 10 and name hn  ) 1.80 0.00 1.20
assign (resid  9 and name hn  ) (resid 57 and name hg2# ) 1.80 0.00 4.20
!E10
assign (resid 10 and name ha  ) (resid 10 and name hn  ) 1.80 0.00 1.20
assign (resid 10 and name ha  ) (resid 11 and name hn  ) 1.80 0.00 2.20
assign (resid 10 and name ha  ) (resid 12 and name hn  ) 1.80 0.00 3.20
assign (resid 10 and name ha  ) (resid 13 and name hn  ) 1.80 0.00 2.20
assign (resid 10 and name ha  ) (resid 13 and name hd21 ) 1.80 0.00 2.70
assign (resid 10 and name ha  ) (resid 13 and name hd22 ) 1.80 0.00 2.70
assign (resid 10 and name ha  ) (resid 14 and name he21 ) 1.80 0.00 4.20
assign (resid 10 and name ha  ) (resid 14 and name he22 ) 1.80 0.00 4.20
assign (resid 10 and name hb# ) (resid 10 and name hn  ) 1.80 0.00 1.70
assign (resid 10 and name hb# ) (resid 11 and name hn  ) 1.80 0.00 2.20
assign (resid 10 and name hg# ) (resid 11 and name hn  ) 1.80 0.00 2.20
assign (resid 10 and name hn  ) (resid 11 and name hn  ) 1.80 0.00 1.20
assign (resid 10 and name hn  ) (resid 12 and name hn  ) 1.80 0.00 3.20
!A11
assign (resid 11 and name ha  ) (resid 11 and name hn  ) 1.80 0.00 1.20
assign (resid 11 and name ha  ) (resid 12 and name hn  ) 1.80 0.00 2.20
assign (resid 11 and name ha  ) (resid 13 and name hn  ) 1.80 0.00 3.20
assign (resid 11 and name ha  ) (resid 14 and name hn  ) 1.80 0.00 2.20
assign (resid 11 and name hb# ) (resid 11 and name hn  ) 1.80 0.00 1.20
assign (resid 11 and name hb# ) (resid 12 and name hn  ) 1.80 0.00 1.20
assign (resid 11 and name hn  ) (resid 12 and name hd* ) 1.80 0.00 4.20
assign (resid 11 and name hn  ) (resid 12 and name hn  ) 1.80 0.00 1.20
assign (resid 11 and name hn  ) (resid 13 and name hn  ) 1.80 0.00 3.20
!L12
assign (resid 12 and name ha  ) (resid 12 and name hn  ) 1.80 0.00 1.20
assign (resid 12 and name ha  ) (resid 13 and name hn  ) 1.80 0.00 2.20
assign (resid 12 and name ha  ) (resid 15 and name hn  ) 1.80 0.00 2.20
assign (resid 12 and name hb1 ) (resid 12 and name hn  ) 1.80 0.00 2.20
assign (resid 12 and name hb2 ) (resid 12 and name hn  ) 1.80 0.00 2.20
assign (resid 12 and name hb# ) (resid 12 and name hn  ) 1.80 0.00 1.20
assign (resid 12 and name hb# ) (resid 13 and name hn  ) 1.80 0.00 2.20
assign (resid 12 and name hd1# ) (resid 12 and name hn  ) 1.80 0.00 2.20
assign (resid 12 and name hd2# ) (resid 12 and name hn  ) 1.80 0.00 3.20
assign (resid 12 and name hd* ) (resid 16 and name hn  ) 1.80 0.00 3.70
assign (resid 12 and name hd* ) (resid 65 and name hn  ) 1.80 0.00 4.20
assign (resid 12 and name hd* ) (resid 68 and name hn  ) 1.80 0.00 3.70
assign (resid 12 and name hn  ) (resid 13 and name hn  ) 1.80 0.00 1.20
assign (resid 12 and name hn  ) (resid 14 and name hn  ) 1.80 0.00 3.20
assign (resid 12 and name hn  ) (resid 57 and name hg2# ) 1.80 0.00 3.20
!N13
assign (resid 13 and name ha  ) (resid 13 and name hn  ) 1.80 0.00 1.20
assign (resid 13 and name ha  ) (resid 14 and name hn  ) 1.80 0.00 2.20
assign (resid 13 and name ha  ) (resid 15 and name hn  ) 1.80 0.00 3.20
assign (resid 13 and name ha  ) (resid 16 and name hn  ) 1.80 0.00 2.20
assign (resid 13 and name ha  ) (resid 17 and name hn  ) 1.80 0.00 3.20
assign (resid 13 and name hb# ) (resid 13 and name hn  ) 1.80 0.00 1.70
assign (resid 13 and name hb# ) (resid 14 and name hn  ) 1.80 0.00 2.20
assign (resid 13 and name hd21 ) (resid 57 and name hg2# ) 1.80 0.00 4.20
assign (resid 13 and name hd22 ) (resid 57 and name hg2# ) 1.80 0.00 4.20
assign (resid 13 and name hn  ) (resid 14 and name hn  ) 1.80 0.00 1.20
assign (resid 13 and name hn  ) (resid 57 and name hg2# ) 1.80 0.00 3.20
assign (resid 13 and name hn  ) (resid 57 and name hd1# ) 1.80 0.00 3.20
assign (resid 13 and name hn  ) (resid 15 and name hn  ) 1.80 0.00 3.20
!Q14
assign (resid 14 and name ha  ) (resid 14 and name hn  ) 1.80 0.00 1.20
assign (resid 14 and name ha  ) (resid 15 and name hn  ) 1.80 0.00 2.20
assign (resid 14 and name ha  ) (resid 17 and name hn  ) 1.80 0.00 2.20
assign (resid 14 and name hb# ) (resid 14 and name hn  ) 1.80 0.00 1.20
assign (resid 14 and name hb# ) (resid 15 and name hn  ) 1.80 0.00 1.70
assign (resid 14 and name hg# ) (resid 14 and name hn  ) 1.80 0.00 3.20
assign (resid 14 and name hg# ) (resid 15 and name hn  ) 1.80 0.00 3.20
assign (resid 14 and name hn  ) (resid 15 and name hn  ) 1.80 0.00 1.20
assign (resid 14 and name hn  ) (resid 16 and name hn  ) 1.80 0.00 3.20
!L15
assign (resid 15 and name ha  ) (resid 15 and name hn  ) 1.80 0.00 1.20
assign (resid 15 and name ha  ) (resid 16 and name hn  ) 1.80 0.00 2.20
assign (resid 15 and name ha  ) (resid 18 and name he21 ) 1.80 0.00 3.20
assign (resid 15 and name ha  ) (resid 18 and name he22 ) 1.80 0.00 3.20
assign (resid 15 and name ha  ) (resid 18 and name hn  ) 1.80 0.00 2.20
assign (resid 15 and name hb1 ) (resid 15 and name hn  ) 1.80 0.00 2.20
assign (resid 15 and name hb2 ) (resid 15 and name hn  ) 1.80 0.00 2.20
assign (resid 15 and name hb# ) (resid 15 and name hn  ) 1.80 0.00 1.20
assign (resid 15 and name hb1 ) (resid 16 and name hn  ) 1.80 0.00 2.20
assign (resid 15 and name hb2 ) (resid 16 and name hn  ) 1.80 0.00 2.20
assign (resid 15 and name hd1# ) (resid 15 and name hn  ) 1.80 0.00 3.20
assign (resid 15 and name hd* ) (resid 104 and name hn  ) 1.80 0.00 3.20
assign (resid 15 and name hn  ) (resid 16 and name hn  ) 1.80 0.00 1.20
assign (resid 15 and name hn  ) (resid 17 and name hn  ) 1.80 0.00 3.20
assign (resid 15 and name hn  ) (resid 18 and name hn  ) 1.80 0.00 4.20
!M16
assign (resid 16 and name ha  ) (resid 16 and name hn  ) 1.80 0.00 1.20
assign (resid 16 and name ha  ) (resid 17 and name hn  ) 1.80 0.00 2.20
assign (resid 16 and name ha  ) (resid 19 and name hn  ) 1.80 0.00 2.20
assign (resid 16 and name ha  ) (resid 20 and name hn  ) 1.80 0.00 3.20
assign (resid 16 and name hb# ) (resid 16 and name hn  ) 1.80 0.00 1.20
assign (resid 16 and name hb# ) (resid 17 and name hn  ) 1.80 0.00 1.70
assign (resid 16 and name hg# ) (resid 16 and name hn  ) 1.80 0.00 2.20
assign (resid 16 and name hg# ) (resid 17 and name hn  ) 1.80 0.00 3.20
assign (resid 16 and name hn  ) (resid 17 and name hg# ) 1.80 0.00 3.20
assign (resid 16 and name hn  ) (resid 17 and name hn  ) 1.80 0.00 1.20
assign (resid 16 and name hn  ) (resid 18 and name hn  ) 1.80 0.00 3.20
!R17
assign (resid 17 and name ha  ) (resid 17 and name hn  ) 1.80 0.00 1.20
assign (resid 17 and name ha  ) (resid 18 and name hn  ) 1.80 0.00 2.20
assign (resid 17 and name ha  ) (resid 20 and name hn  ) 1.80 0.00 2.20
assign (resid 17 and name hb# ) (resid 17 and name hn  ) 1.80 0.00 1.20
assign (resid 17 and name hb# ) (resid 18 and name hn  ) 1.80 0.00 1.70
assign (resid 17 and name hg# ) (resid 17 and name hn  ) 1.80 0.00 3.20
assign (resid 17 and name hd# ) (resid 17 and name hn  ) 1.80 0.00 4.20
assign (resid 17 and name hn  ) (resid 18 and name hn  ) 1.80 0.00 1.20
assign (resid 17 and name hn  ) (resid 19 and name hn  ) 1.80 0.00 3.20
assign (resid 17 and name hn  ) (resid 20 and name hn  ) 1.80 0.00 4.20
!Q18
assign (resid 18 and name ha  ) (resid 18 and name hn  ) 1.80 0.00 1.20
assign (resid 18 and name ha  ) (resid 19 and name hn  ) 1.80 0.00 2.20
assign (resid 18 and name ha  ) (resid 21 and name hn  ) 1.80 0.00 2.20
assign (resid 18 and name hb# ) (resid 18 and name hn  ) 1.80 0.00 1.70
assign (resid 18 and name hb1 ) (resid 19 and name hn  ) 1.80 0.00 2.20
assign (resid 18 and name hb2 ) (resid 19 and name hn  ) 1.80 0.00 2.20
assign (resid 18 and name hb# ) (resid 19 and name hn  ) 1.80 0.00 1.20
assign (resid 18 and name hg# ) (resid 18 and name hn  ) 1.80 0.00 2.20
assign (resid 18 and name he21 ) (resid 103 and name hg2# ) 1.80 0.00 3.70
assign (resid 18 and name he22 ) (resid 103 and name hg2# ) 1.80 0.00 3.70
assign (resid 18 and name hn  ) (resid 19 and name hn  ) 1.80 0.00 1.20
assign (resid 18 and name hn  ) (resid 20 and name hn  ) 1.80 0.00 3.20
assign (resid 18 and name hn  ) (resid 21 and name hn  ) 1.80 0.00 3.20
assign (resid 18 and name hn  ) (resid 103 and name hg2# ) 1.80 0.00 4.20
!L19
assign (resid 19 and name ha  ) (resid 19 and name hn  ) 1.80 0.00 1.20
assign (resid 19 and name ha  ) (resid 20 and name hn  ) 1.80 0.00 2.20
assign (resid 19 and name ha  ) (resid 21 and name hn  ) 1.80 0.00 3.20
assign (resid 19 and name ha  ) (resid 22 and name hn  ) 1.80 0.00 3.20
assign (resid 19 and name hb# ) (resid 19 and name hn  ) 1.80 0.00 1.70
assign (resid 19 and name hb# ) (resid 20 and name hn  ) 1.80 0.00 2.20
assign (resid 19 and name hg  ) (resid 20 and name hn  ) 1.80 0.00 3.20
assign (resid 19 and name hd1# ) (resid 20 and name hn  ) 1.80 0.00 4.20
assign (resid 19 and name hd2# ) (resid 20 and name hn  ) 1.80 0.00 4.20
assign (resid 19 and name hd* ) (resid 21 and name hn  ) 1.80 0.00 4.20
assign (resid 19 and name hd* ) (resid 100 and name hn  ) 1.80 0.00 3.20
assign (resid 19 and name hd* ) (resid 101 and name hn  ) 1.80 0.00 4.20
assign (resid 19 and name hd* ) (resid 103 and name hn  ) 1.80 0.00 4.20
assign (resid 19 and name hn  ) (resid 20 and name hn  ) 1.80 0.00 1.20
assign (resid 19 and name hn  ) (resid 21 and name hn  ) 1.80 0.00 3.20
assign (resid 19 and name hn  ) (resid 103 and name hg2# ) 1.80 0.00 3.20
!Q20
assign (resid 20 and name ha  ) (resid 20 and name hn  ) 1.80 0.00 1.20
assign (resid 20 and name ha  ) (resid 21 and name hn  ) 1.80 0.00 2.20
assign (resid 20 and name ha  ) (resid 22 and name hn  ) 1.80 0.00 3.20
assign (resid 20 and name ha  ) (resid 23 and name hn  ) 1.80 0.00 3.20
assign (resid 20 and name hb# ) (resid 20 and name hn  ) 1.80 0.00 1.20
assign (resid 20 and name hb# ) (resid 21 and name hn  ) 1.80 0.00 2.20
assign (resid 20 and name hg# ) (resid 20 and name hn  ) 1.80 0.00 2.20
assign (resid 20 and name he21 ) (resid 29 and name ha  ) 1.80 0.00 3.70
assign (resid 20 and name he22 ) (resid 29 and name ha  ) 1.80 0.00 3.70
assign (resid 20 and name he21 ) (resid 50 and name hb# ) 1.80 0.00 4.20
assign (resid 20 and name he22 ) (resid 50 and name hb# ) 1.80 0.00 4.20
assign (resid 20 and name hn  ) (resid 21 and name hn  ) 1.80 0.00 1.20
assign (resid 20 and name hn  ) (resid 22 and name hn  ) 1.80 0.00 3.20
!R21
assign (resid 21 and name ha  ) (resid 21 and name hn  ) 1.80 0.00 1.20
assign (resid 21 and name ha  ) (resid 22 and name hn  ) 1.80 0.00 2.20
assign (resid 21 and name ha  ) (resid 23 and name hn  ) 1.80 0.00 3.20
assign (resid 21 and name hb# ) (resid 21 and name hn  ) 1.80 0.00 1.20
assign (resid 21 and name hb# ) (resid 22 and name hn  ) 1.80 0.00 1.70
assign (resid 21 and name hg# ) (resid 21 and name hn  ) 1.80 0.00 2.20
assign (resid 21 and name hd# ) (resid 21 and name hn  ) 1.80 0.00 3.20
assign (resid 21 and name hn  ) (resid 96 and name hd* ) 1.80 0.00 4.20
assign (resid 21 and name hn  ) (resid 22 and name hn  ) 1.80 0.00 1.20
assign (resid 21 and name hn  ) (resid 23 and name hn  ) 1.80 0.00 4.20
!K22
assign (resid 22 and name ha  ) (resid 22 and name hn  ) 1.80 0.00 1.70
assign (resid 22 and name ha  ) (resid 23 and name hn  ) 1.80 0.00 2.70
assign (resid 22 and name hb# ) (resid 22 and name hn  ) 1.80 0.00 1.70
assign (resid 22 and name hb# ) (resid 23 and name hn  ) 1.80 0.00 3.20
assign (resid 22 and name hg# ) (resid 22 and name hn  ) 1.80 0.00 2.20
assign (resid 22 and name hn  ) (resid 96 and name hd1# ) 1.80 0.00 4.20
assign (resid 22 and name hn  ) (resid 96 and name hd2# ) 1.80 0.00 4.20
assign (resid 22 and name hn  ) (resid 96 and name hd* ) 1.80 0.00 2.70
assign (resid 22 and name hn  ) (resid 23 and name hn  ) 1.80 0.00 1.70
!D23
assign (resid 23 and name ha  ) (resid 23 and name hn  ) 1.80 0.00 1.70
assign (resid 23 and name ha  ) (resid 25 and name hn  ) 1.80 0.00 2.70
assign (resid 23 and name hb# ) (resid 23 and name hn  ) 1.80 0.00 2.70
assign (resid 23 and name hn  ) (resid 24 and name hd1 ) 1.80 0.00 3.20
assign (resid 23 and name hn  ) (resid 24 and name hd2 ) 1.80 0.00 3.20
assign (resid 23 and name hn  ) (resid 25 and name hb# ) 1.80 0.00 3.20
assign (resid 23 and name hn  ) (resid 25 and name hn  ) 1.80 0.00 3.20
assign (resid 23 and name hn  ) (resid 96 and name hd1# ) 1.80 0.00 4.20
assign (resid 23 and name hn  ) (resid 96 and name hd2# ) 1.80 0.00 4.20
!P24
assign (resid 24 and name ha  ) (resid 25 and name hn  ) 1.80 0.00 2.20
assign (resid 24 and name ha  ) (resid 26 and name hn  ) 1.80 0.00 2.20
assign (resid 24 and name hb1 ) (resid 25 and name hn  ) 1.80 0.00 2.70
assign (resid 24 and name hb2 ) (resid 25 and name hn  ) 1.80 0.00 2.70
assign (resid 24 and name hb# ) (resid 96 and name hn  ) 1.80 0.00 2.70
assign (resid 24 and name hg# ) (resid 25 and name hn  ) 1.80 0.00 2.70
assign (resid 24 and name hd1 ) (resid 25 and name hn  ) 1.80 0.00 2.20
assign (resid 24 and name hd2 ) (resid 25 and name hn  ) 1.80 0.00 2.20
assign (resid 24 and name hd# ) (resid 96 and name hn  ) 1.80 0.00 4.20
!S25
assign (resid 25 and name ha  ) (resid 25 and name hn  ) 1.80 0.00 1.20
assign (resid 25 and name ha  ) (resid 26 and name hn  ) 1.80 0.00 2.20
assign (resid 25 and name ha  ) (resid 27 and name hn  ) 1.80 0.00 2.20
assign (resid 25 and name hb1 ) (resid 25 and name hn  ) 1.80 0.00 2.20
assign (resid 25 and name hb2 ) (resid 25 and name hn  ) 1.80 0.00 2.20
assign (resid 25 and name hb# ) (resid 25 and name hn  ) 1.80 0.00 1.20
assign (resid 25 and name hb1 ) (resid 26 and name hn  ) 1.80 0.00 2.70
assign (resid 25 and name hb2 ) (resid 26 and name hn  ) 1.80 0.00 2.70
assign (resid 25 and name hb1 ) (resid 27 and name hn  ) 1.80 0.00 4.20
assign (resid 25 and name hb2 ) (resid 27 and name hn  ) 1.80 0.00 4.20
assign (resid 25 and name hn  ) (resid 26 and name hb# ) 1.80 0.00 3.20
assign (resid 25 and name hn  ) (resid 26 and name hn  ) 1.80 0.00 1.20
assign (resid 25 and name hn  ) (resid 27 and name hn  ) 1.80 0.00 3.20
!A26
assign (resid 26 and name ha  ) (resid 26 and name hn  ) 1.80 0.00 1.20
assign (resid 26 and name ha  ) (resid 27 and name hn  ) 1.80 0.00 2.20
assign (resid 26 and name ha  ) (resid 28 and name hn  ) 1.80 0.00 3.20
assign (resid 26 and name ha  ) (resid 29 and name hn  ) 1.80 0.00 2.20
assign (resid 26 and name hb# ) (resid 26 and name hn  ) 1.80 0.00 1.20
assign (resid 26 and name hb# ) (resid 27 and name hn  ) 1.80 0.00 2.20
assign (resid 26 and name hb# ) (resid 29 and name hn  ) 1.80 0.00 4.20
assign (resid 26 and name hn  ) (resid 27 and name hd# ) 1.80 0.00 4.20
assign (resid 26 and name hn  ) (resid 27 and name hn  ) 1.80 0.00 1.20
assign (resid 26 and name hn  ) (resid 28 and name hn  ) 1.80 0.00 3.20
assign (resid 26 and name hn  ) (resid 29 and name hn  ) 1.80 0.00 4.20
!F27
assign (resid 27 and name ha  ) (resid 27 and name hn  ) 1.80 0.00 1.70
assign (resid 27 and name ha  ) (resid 28 and name hn  ) 1.80 0.00 2.20
assign (resid 27 and name ha  ) (resid 29 and name hn  ) 1.80 0.00 3.20
assign (resid 27 and name hb# ) (resid 27 and name hn  ) 1.80 0.00 1.70
assign (resid 27 and name hd# ) (resid 27 and name hn  ) 1.80 0.00 2.20
assign (resid 27 and name hb# ) (resid 28 and name hn  ) 1.80 0.00 3.20
assign (resid 27 and name hn  ) (resid 28 and name ha  ) 1.80 0.00 4.20
assign (resid 27 and name hn  ) (resid 28 and name hb# ) 1.80 0.00 4.20
assign (resid 27 and name hn  ) (resid 28 and name hd# ) 1.80 0.00 3.20
assign (resid 27 and name hn  ) (resid 28 and name hn  ) 1.80 0.00 1.20
assign (resid 27 and name hn  ) (resid 29 and name hn  ) 1.80 0.00 3.20
!F28
assign (resid 28 and name ha  ) (resid 28 and name hn  ) 1.80 0.00 1.70
assign (resid 28 and name ha  ) (resid 29 and name hn  ) 1.80 0.00 2.20
assign (resid 28 and name ha  ) (resid 30 and name hn  ) 1.80 0.00 2.20
assign (resid 28 and name ha  ) (resid 50 and name hn  ) 1.80 0.00 3.20
assign (resid 28 and name hb1 ) (resid 28 and name hn  ) 1.80 0.00 2.20
assign (resid 28 and name hb2 ) (resid 28 and name hn  ) 1.80 0.00 2.20
assign (resid 28 and name hb1 ) (resid 29 and name hn  ) 1.80 0.00 3.20
assign (resid 28 and name hb2 ) (resid 29 and name hn  ) 1.80 0.00 3.20
assign (resid 28 and name hb# ) (resid 30 and name hn  ) 1.80 0.00 3.20
assign (resid 28 and name hb# ) (resid 50 and name hn  ) 1.80 0.00 2.20
assign (resid 28 and name hd# ) (resid 28 and name hn  ) 1.80 0.00 2.20
assign (resid 28 and name hn  ) (resid 29 and name hn  ) 1.80 0.00 1.20
assign (resid 28 and name hn  ) (resid 30 and name hn  ) 1.80 0.00 3.20
assign (resid 28 and name hn  ) (resid 50 and name hn  ) 1.80 0.00 4.20
!S29
assign (resid 29 and name ha  ) (resid 29 and name hn  ) 1.80 0.00 1.20
assign (resid 29 and name ha  ) (resid 50 and name hn  ) 1.80 0.00 2.20
assign (resid 29 and name ha  ) (resid 51 and name hn  ) 1.80 0.00 2.70
assign (resid 29 and name hb1 ) (resid 29 and name hn  ) 1.80 0.00 2.20
assign (resid 29 and name hb2 ) (resid 29 and name hn  ) 1.80 0.00 2.20
assign (resid 29 and name hb# ) (resid 29 and name hn  ) 1.80 0.00 1.20
assign (resid 29 and name hn  ) (resid 30 and name hd# ) 1.80 0.00 3.20
assign (resid 29 and name hn  ) (resid 30 and name hn  ) 1.80 0.00 1.70
assign (resid 29 and name hn  ) (resid 50 and name hn  ) 1.80 0.00 3.70
!F30
assign (resid 30 and name ha  ) (resid 30 and name hn  ) 1.80 0.00 1.70
assign (resid 30 and name ha  ) (resid 51 and name hn  ) 1.80 0.00 3.20
assign (resid 30 and name ha  ) (resid 52 and name hn  ) 1.80 0.00 3.20
assign (resid 30 and name hb1 ) (resid 30 and name hn  ) 1.80 0.00 1.70
assign (resid 30 and name hb2 ) (resid 30 and name hn  ) 1.80 0.00 1.70
assign (resid 30 and name hd# ) (resid 30 and name hn  ) 1.80 0.00 2.20
assign (resid 30 and name hn  ) (resid 31 and name hd# ) 1.80 0.00 3.20
assign (resid 30 and name hn  ) (resid 49 and name ha  ) 1.80 0.00 4.20
assign (resid 30 and name hn  ) (resid 49 and name hb# ) 1.80 0.00 2.20
assign (resid 30 and name hn  ) (resid 50 and name hn  ) 1.80 0.00 3.20
assign (resid 30 and name hn  ) (resid 51 and name hn  ) 1.80 0.00 3.20
!P31
assign (resid 31 and name ha  ) (resid 32 and name hn  ) 1.80 0.00 1.20
assign (resid 31 and name hb# ) (resid 32 and name hn  ) 1.80 0.00 2.20
assign (resid 31 and name hd# ) (resid 32 and name hn  ) 1.80 0.00 3.70
!assign (resid 31 and name hb# ) (resid 52 and name hn  ) 1.80 0.00 4.20
!V32
assign (resid 32 and name ha  ) (resid 32 and name hn  ) 1.80 0.00 1.70
assign (resid 32 and name ha  ) (resid 33 and name hn  ) 1.80 0.00 1.20
assign (resid 32 and name ha  ) (resid 36 and name hn  ) 1.80 0.00 4.20
assign (resid 32 and name ha  ) (resid 37 and name hn  ) 1.80 0.00 3.70
assign (resid 32 and name hb  ) (resid 32 and name hn  ) 1.80 0.00 2.20
assign (resid 32 and name hb  ) (resid 33 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name hb  ) (resid 37 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name hg1# ) (resid 32 and name hn  ) 1.80 0.00 1.20
assign (resid 32 and name hg2# ) (resid 32 and name hn  ) 1.80 0.00 1.20
assign (resid 32 and name hg1# ) (resid 33 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name hg2# ) (resid 33 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name hg* ) (resid 33 and name hn  ) 1.80 0.00 2.20
assign (resid 32 and name hg* ) (resid 36 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name hg* ) (resid 37 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name hn  ) (resid 33 and name hn  ) 1.80 0.00 3.20
assign (resid 32 and name hn  ) (resid 49 and name hb# ) 1.80 0.00 2.70
!T33
assign (resid 33 and name ha  ) (resid 33 and name hn  ) 1.80 0.00 1.70
assign (resid 33 and name ha  ) (resid 34 and name hn  ) 1.80 0.00 1.20
assign (resid 33 and name hb  ) (resid 34 and name hn  ) 1.80 0.00 1.20
assign (resid 33 and name hb  ) (resid 35 and name hn  ) 1.80 0.00 1.20
assign (resid 33 and name hb  ) (resid 36 and name hn  ) 1.80 0.00 2.20
assign (resid 33 and name hb  ) (resid 37 and name hn  ) 1.80 0.00 3.20
assign (resid 33 and name hg2# ) (resid 33 and name hn  ) 1.80 0.00 2.20
assign (resid 33 and name hg2# ) (resid 34 and name hn  ) 1.80 0.00 2.20
assign (resid 33 and name hg2# ) (resid 35 and name hn  ) 1.80 0.00 3.20
assign (resid 33 and name hn  ) (resid 34 and name hn  ) 1.80 0.00 3.20
assign (resid 33 and name hn  ) (resid 35 and name hn  ) 1.80 0.00 4.20
assign (resid 33 and name hn  ) (resid 36 and name hn  ) 1.80 0.00 3.20
assign (resid 33 and name hn  ) (resid 36 and name ha  ) 1.80 0.00 4.20
assign (resid 33 and name hn  ) (resid 36 and name hb  ) 1.80 0.00 2.20
assign (resid 33 and name hn  ) (resid 36 and name hd1# ) 1.80 0.00 3.20
assign (resid 33 and name hn  ) (resid 36 and name hg2# ) 1.80 0.00 2.20
assign (resid 33 and name hn  ) (resid 37 and name ha  ) 1.80 0.00 3.20
assign (resid 33 and name hn  ) (resid 37 and name hb#  ) 1.80 0.00 1.70
assign (resid 33 and name hn  ) (resid 37 and name hn  ) 1.80 0.00 2.70
!D34
assign (resid 34 and name ha  ) (resid 34 and name hn  ) 1.80 0.00 1.20
assign (resid 34 and name ha  ) (resid 35 and name hn  ) 1.80 0.00 2.20
assign (resid 34 and name ha  ) (resid 36 and name hn  ) 1.80 0.00 3.20
assign (resid 34 and name ha  ) (resid 37 and name hn  ) 1.80 0.00 3.20
assign (resid 34 and name hb1 ) (resid 34 and name hn  ) 1.80 0.00 1.20
assign (resid 34 and name hb2 ) (resid 34 and name hn  ) 1.80 0.00 1.20
assign (resid 34 and name hb1 ) (resid 35 and name hn  ) 1.80 0.00 2.20
assign (resid 34 and name hb2 ) (resid 35 and name hn  ) 1.80 0.00 2.20
assign (resid 34 and name hn  ) (resid 35 and name hb# ) 1.80 0.00 3.20
assign (resid 34 and name hn  ) (resid 35 and name hn  ) 1.80 0.00 1.20
assign (resid 34 and name hn  ) (resid 36 and name hn  ) 1.80 0.00 2.70
assign (resid 34 and name hn  ) (resid 37 and name hn  ) 1.80 0.00 3.20
!F35
assign (resid 35 and name ha  ) (resid 35 and name hn  ) 1.80 0.00 1.20
assign (resid 35 and name ha  ) (resid 36 and name hn  ) 1.80 0.00 2.20
assign (resid 35 and name ha  ) (resid 37 and name hn  ) 1.80 0.00 3.20
assign (resid 35 and name hb# ) (resid 35 and name hn  ) 1.80 0.00 1.20
assign (resid 35 and name hb# ) (resid 36 and name hn  ) 1.80 0.00 1.70
assign (resid 35 and name hb# ) (resid 37 and name hn  ) 1.80 0.00 3.20
assign (resid 35 and name hd# ) (resid 35 and name hn  ) 1.80 0.00 2.20
assign (resid 35 and name hd# ) (resid 36 and name hn  ) 1.80 0.00 2.70
assign (resid 35 and name hd# ) (resid 37 and name hn  ) 1.80 0.00 3.20
assign (resid 35 and name hn  ) (resid 36 and name ha  ) 1.80 0.00 3.20
assign (resid 35 and name hn  ) (resid 36 and name hb  ) 1.80 0.00 3.20
assign (resid 35 and name hn  ) (resid 36 and name hd1# ) 1.80 0.00 4.20
assign (resid 35 and name hn  ) (resid 36 and name hg2# ) 1.80 0.00 3.20
assign (resid 35 and name hn  ) (resid 36 and name hn  ) 1.80 0.00 1.20
assign (resid 35 and name hn  ) (resid 37 and name hn  ) 1.80 0.00 2.20
!I36
assign (resid 36 and name ha  ) (resid 36 and name hn  ) 1.80 0.00 1.70
assign (resid 36 and name ha  ) (resid 37 and name hn  ) 1.80 0.00 2.20
assign (resid 36 and name hb  ) (resid 36 and name hn  ) 1.80 0.00 1.20
assign (resid 36 and name hb  ) (resid 37 and name hn  ) 1.80 0.00 1.20
assign (resid 36 and name hg1# ) (resid 36 and name hn  ) 1.80 0.00 2.20
assign (resid 36 and name hg1# ) (resid 37 and name hn  ) 1.80 0.00 2.70
assign (resid 36 and name hg2# ) (resid 36 and name hn  ) 1.80 0.00 2.20
assign (resid 36 and name hd1# ) (resid 36 and name hn  ) 1.80 0.00 2.20
assign (resid 36 and name hd1# ) (resid 37 and name hn  ) 1.80 0.00 3.20
assign (resid 36 and name hn  ) (resid 37 and name hn  ) 1.80 0.00 1.20
!A37
assign (resid 37 and name ha  ) (resid 37 and name hn  ) 1.80 0.00 1.20
assign (resid 37 and name ha  ) (resid 39 and name hn  ) 1.80 0.00 3.20
assign (resid 37 and name ha  ) (resid 40 and name hn  ) 1.80 0.00 3.20
assign (resid 37 and name hb# ) (resid 37 and name hn  ) 1.80 0.00 1.20
assign (resid 37 and name hb# ) (resid 39 and name hn  ) 1.80 0.00 2.20
assign (resid 37 and name hb# ) (resid 40 and name hn  ) 1.80 0.00 1.20
assign (resid 37 and name hb# ) (resid 41 and name hn  ) 1.80 0.00 3.20
assign (resid 37 and name hn  ) (resid 38 and name hd# ) 1.80 0.00 3.20
!P38
assign (resid 38 and name ha  ) (resid 39 and name hn  ) 1.80 0.00 1.20
assign (resid 38 and name hb1 ) (resid 39 and name hn  ) 1.80 0.00 2.70
assign (resid 38 and name hb2 ) (resid 39 and name hn  ) 1.80 0.00 2.70
assign (resid 38 and name hb# ) (resid 39 and name hn  ) 1.80 0.00 1.70
assign (resid 38 and name hg# ) (resid 39 and name hn  ) 1.80 0.00 2.20
assign (resid 38 and name hd# ) (resid 39 and name hn  ) 1.80 0.00 2.20
assign (resid 38 and name ha  ) (resid 40 and name hn  ) 1.80 0.00 3.20
!G39
assign (resid 39 and name ha1 ) (resid 39 and name hn  ) 1.80 0.00 1.20
assign (resid 39 and name ha2 ) (resid 39 and name hn  ) 1.80 0.00 1.20
assign (resid 39 and name ha1 ) (resid 40 and name hn  ) 1.80 0.00 2.20
assign (resid 39 and name ha2 ) (resid 40 and name hn  ) 1.80 0.00 2.20
assign (resid 39 and name ha# ) (resid 40 and name hn  ) 1.80 0.00 1.20
assign (resid 39 and name ha# ) (resid 41 and name hn  ) 1.80 0.00 2.20
assign (resid 39 and name ha# ) (resid 42 and name hn  ) 1.80 0.00 3.20
assign (resid 39 and name hn  ) (resid 40 and name hd# ) 1.80 0.00 3.20
assign (resid 39 and name hn  ) (resid 40 and name hn  ) 1.80 0.00 1.20
assign (resid 39 and name hn  ) (resid 41 and name hn  ) 1.80 0.00 2.70
assign (resid 39 and name hn  ) (resid 42 and name hn  ) 1.80 0.00 4.20
assign (resid 39 and name hn  ) (resid 43 and name hg2# ) 1.80 0.00 4.20
assign (resid 39 and name hn  ) (resid 82 and name hb# ) 1.80 0.00 4.20
!Y40
assign (resid 40 and name ha  ) (resid 40 and name hn  ) 1.80 0.00 1.20
assign (resid 40 and name ha  ) (resid 41 and name hn  ) 1.80 0.00 2.20
assign (resid 40 and name ha  ) (resid 43 and name hn  ) 1.80 0.00 2.20
assign (resid 40 and name ha  ) (resid 44 and name hn  ) 1.80 0.00 2.20
assign (resid 40 and name hb# ) (resid 40 and name hn  ) 1.80 0.00 1.20
assign (resid 40 and name hb1 ) (resid 41 and name hn  ) 1.80 0.00 2.20
assign (resid 40 and name hb2 ) (resid 41 and name hn  ) 1.80 0.00 2.20
assign (resid 40 and name hd# ) (resid 40 and name hn  ) 1.80 0.00 1.20
assign (resid 40 and name hd# ) (resid 41 and name hn  ) 1.80 0.00 3.20
assign (resid 40 and name hd# ) (resid 44 and name hn  ) 1.80 0.00 4.20
assign (resid 40 and name hn  ) (resid 41 and name hn  ) 1.80 0.00 1.20
assign (resid 40 and name hn  ) (resid 42 and name hn  ) 1.80 0.00 3.20
!S41
assign (resid 41 and name ha  ) (resid 41 and name hn  ) 1.80 0.00 1.70
assign (resid 41 and name ha  ) (resid 44 and name hn  ) 1.80 0.00 2.70
assign (resid 41 and name hb1 ) (resid 41 and name hn  ) 1.80 0.00 2.20
assign (resid 41 and name hb2 ) (resid 41 and name hn  ) 1.80 0.00 2.20
assign (resid 41 and name hb1 ) (resid 42 and name hn  ) 1.80 0.00 2.20
assign (resid 41 and name hb2 ) (resid 42 and name hn  ) 1.80 0.00 2.20
assign (resid 41 and name hn  ) (resid 42 and name hn  ) 1.80 0.00 1.20
assign (resid 41 and name hn  ) (resid 43 and name hg2# ) 1.80 0.00 4.20
assign (resid 41 and name hn  ) (resid 43 and name hn  ) 1.80 0.00 3.20
assign (resid 41 and name hn  ) (resid 44 and name hn  ) 1.80 0.00 4.20
!M42
assign (resid 42 and name ha  ) (resid 42 and name hn  ) 1.80 0.00 1.20
assign (resid 42 and name ha  ) (resid 43 and name hn  ) 1.80 0.00 2.20
assign (resid 42 and name hb# ) (resid 42 and name hn  ) 1.80 0.00 1.20
assign (resid 42 and name hb# ) (resid 43 and name hn  ) 1.80 0.00 2.20
assign (resid 42 and name hg# ) (resid 42 and name hn  ) 1.80 0.00 2.70
assign (resid 42 and name hn  ) (resid 43 and name hg2# ) 1.80 0.00 2.70
assign (resid 42 and name hn  ) (resid 43 and name hb  ) 1.80 0.00 3.20
assign (resid 42 and name hn  ) (resid 43 and name hn  ) 1.80 0.00 1.20
assign (resid 42 and name hn  ) (resid 44 and name hn  ) 1.80 0.00 2.70
!I43
assign (resid 43 and name ha  ) (resid 43 and name hn  ) 1.80 0.00 1.20
assign (resid 43 and name hb  ) (resid 43 and name hn  ) 1.80 0.00 2.20
assign (resid 43 and name hb  ) (resid 44 and name hn  ) 1.80 0.00 2.20
assign (resid 43 and name hg1# ) (resid 43 and name hn  ) 1.80 0.00 3.20
assign (resid 43 and name hg2# ) (resid 43 and name hn  ) 1.80 0.00 3.20
assign (resid 43 and name hg2# ) (resid 44 and name hn  ) 1.80 0.00 2.20
assign (resid 43 and name hn  ) (resid 45 and name hn  ) 1.80 0.00 3.70
assign (resid 43 and name hn  ) (resid 82 and name hd# ) 1.80 0.00 3.20
assign (resid 43 and name hn  ) (resid 82 and name he# ) 1.80 0.00 2.70
!I44
assign (resid 44 and name ha  ) (resid 44 and name hn  ) 1.80 0.00 1.70
assign (resid 44 and name ha  ) (resid 45 and name hn  ) 1.80 0.00 1.20
assign (resid 44 and name ha  ) (resid 46 and name hn  ) 1.80 0.00 3.20
assign (resid 44 and name hb  ) (resid 44 and name hn  ) 1.80 0.00 2.20
assign (resid 44 and name hb  ) (resid 82 and name hn  ) 1.80 0.00 4.20
assign (resid 44 and name hg2# ) (resid 44 and name hn  ) 1.80 0.00 3.20
assign (resid 44 and name hg2# ) (resid 45 and name hn  ) 1.80 0.00 2.70
assign (resid 44 and name hg2# ) (resid 46 and name hn  ) 1.80 0.00 2.70
assign (resid 44 and name hg2# ) (resid 48 and name hn  ) 1.80 0.00 4.20
assign (resid 44 and name hg2# ) (resid 78 and name hd21 ) 1.80 0.00 3.20
assign (resid 44 and name hg2# ) (resid 78 and name hd22 ) 1.80 0.00 3.20
assign (resid 44 and name hg2# ) (resid 78 and name hn  ) 1.80 0.00 4.20
assign (resid 44 and name hg2# ) (resid 79 and name hn  ) 1.80 0.00 4.20
assign (resid 44 and name hd1# ) (resid 44 and name hn  ) 1.80 0.00 2.70
assign (resid 44 and name hd1# ) (resid 45 and name hn  ) 1.80 0.00 2.70
assign (resid 44 and name hd1# ) (resid 46 and name hn  ) 1.80 0.00 4.20
assign (resid 44 and name hd1# ) (resid 78 and name hn  ) 1.80 0.00 3.20
assign (resid 44 and name hd1# ) (resid 79 and name hn  ) 1.80 0.00 3.20
assign (resid 44 and name hd1# ) (resid 81 and name hn  ) 1.80 0.00 3.20
assign (resid 44 and name hd1# ) (resid 82 and name hn  ) 1.80 0.00 2.70
assign (resid 44 and name hn  ) (resid 45 and name hn  ) 1.80 0.00 2.20
assign (resid 44 and name hn  ) (resid 82 and name hd# ) 1.80 0.00 4.20
!K45
assign (resid 45 and name ha  ) (resid 45 and name hn  ) 1.80 0.00 1.70
assign (resid 45 and name ha  ) (resid 46 and name hn  ) 1.80 0.00 2.20
assign (resid 45 and name hb# ) (resid 45 and name hn  ) 1.80 0.00 1.20
assign (resid 45 and name hb# ) (resid 46 and name hn  ) 1.80 0.00 1.70
assign (resid 45 and name hb# ) (resid 78 and name hd21 ) 1.80 0.00 4.20
assign (resid 45 and name hb# ) (resid 78 and name hd22 ) 1.80 0.00 4.20
assign (resid 45 and name hg# ) (resid 45 and name hn  ) 1.80 0.00 1.70
assign (resid 45 and name hg# ) (resid 46 and name hn  ) 1.80 0.00 3.20
assign (resid 45 and name hn  ) (resid 78 and name hd21 ) 1.80 0.00 4.20
assign (resid 45 and name hn  ) (resid 78 and name hd22 ) 1.80 0.00 4.20
!H46
assign (resid 46 and name ha  ) (resid 46 and name hn  ) 1.80 0.00 1.20
assign (resid 46 and name hb# ) (resid 46 and name hn  ) 1.80 0.00 1.20
assign (resid 46 and name hd# ) (resid 46 and name hn  ) 1.80 0.00 3.20
assign (resid 46 and name hd# ) (resid 48 and name hn  ) 1.80 0.00 2.20
assign (resid 46 and name hn  ) (resid 47 and name hd# ) 1.80 0.00 3.20
assign (resid 46 and name hn  ) (resid 74 and name hd* ) 1.80 0.00 3.20
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!P47
assign (resid 47 and name ha  ) (resid 48 and name hn  ) 1.80 0.00 2.20
assign (resid 47 and name ha  ) (resid 78 and name hd21 ) 1.80 0.00 2.20
assign (resid 47 and name ha  ) (resid 78 and name hd22 ) 1.80 0.00 2.20
assign (resid 47 and name hb1 ) (resid 48 and name hn  ) 1.80 0.00 2.70
assign (resid 47 and name hb2 ) (resid 48 and name hn  ) 1.80 0.00 2.70
assign (resid 47 and name hb# ) (resid 48 and name hn  ) 1.80 0.00 2.20
assign (resid 47 and name hb# ) (resid 49 and name hn  ) 1.80 0.00 2.70
assign (resid 47 and name hd# ) (resid 48 and name hn  ) 1.80 0.00 3.20
assign (resid 47 and name hd# ) (resid 78 and name hd21 ) 1.80 0.00 4.20
assign (resid 47 and name hd# ) (resid 78 and name hd22 ) 1.80 0.00 4.20
!M48
assign (resid 48 and name ha  ) (resid 48 and name hn  ) 1.80 0.00 1.70
assign (resid 48 and name ha  ) (resid 49 and name hn  ) 1.80 0.00 1.70
assign (resid 48 and name ha  ) (resid 52 and name hn  ) 1.80 0.00 3.20
assign (resid 48 and name hb# ) (resid 48 and name hn  ) 1.80 0.00 2.20
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assign (resid 48 and name hb# ) (resid 53 and name hn  ) 1.80 0.00 2.70
assign (resid 48 and name hb# ) (resid 75 and name hn  ) 1.80 0.00 3.20
assign (resid 48 and name hg# ) (resid 49 and name hn  ) 1.80 0.00 3.20
assign (resid 48 and name he# ) (resid 71 and name hd21 ) 1.80 0.00 3.20
assign (resid 48 and name he# ) (resid 71 and name hd22 ) 1.80 0.00 3.20
assign (resid 48 and name hn  ) (resid 49 and name hn  ) 1.80 0.00 2.20
assign (resid 48 and name hn  ) (resid 78 and name hd21 ) 1.80 0.00 4.20
assign (resid 48 and name hn  ) (resid 78 and name hd22 ) 1.80 0.00 4.20
!D49
assign (resid 49 and name ha  ) (resid 49 and name hn  ) 1.80 0.00 1.70
assign (resid 49 and name ha  ) (resid 50 and name hn  ) 1.80 0.00 1.20
assign (resid 49 and name ha  ) (resid 51 and name hn  ) 1.80 0.00 3.20
assign (resid 49 and name hb# ) (resid 49 and name hn  ) 1.80 0.00 2.20
assign (resid 49 and name hb# ) (resid 50 and name hn  ) 1.80 0.00 2.20
assign (resid 49 and name hb# ) (resid 51 and name hn  ) 1.80 0.00 2.20
assign (resid 49 and name hb# ) (resid 52 and name hn  ) 1.80 0.00 3.20
assign (resid 49 and name hn  ) (resid 52 and name hb  ) 1.80 0.00 2.20
assign (resid 49 and name hn  ) (resid 50 and name hn  ) 1.80 0.00 3.20
assign (resid 49 and name hn  ) (resid 51 and name hn  ) 1.80 0.00 3.20
assign (resid 49 and name hn  ) (resid 52 and name hg2# ) 1.80 0.00 3.20
assign (resid 49 and name hn  ) (resid 52 and name hn  ) 1.80 0.00 2.20
assign (resid 49 and name hn  ) (resid 53 and name hn  ) 1.80 0.00 3.20
!F50
assign (resid 50 and name ha  ) (resid 50 and name hn  ) 1.80 0.00 1.70
assign (resid 50 and name ha  ) (resid 51 and name hn  ) 1.80 0.00 2.20
assign (resid 50 and name ha  ) (resid 52 and name hn  ) 1.80 0.00 3.20
assign (resid 50 and name ha  ) (resid 53 and name hn  ) 1.80 0.00 2.20
assign (resid 50 and name ha  ) (resid 54 and name hn  ) 1.80 0.00 3.20
assign (resid 50 and name hb# ) (resid 50 and name hn  ) 1.80 0.00 1.70
assign (resid 50 and name hd# ) (resid 50 and name hn  ) 1.80 0.00 1.70
assign (resid 50 and name hn  ) (resid 51 and name hn  ) 1.80 0.00 1.20
!S51
assign (resid 51 and name ha  ) (resid 51 and name hn  ) 1.80 0.00 1.20
assign (resid 51 and name ha  ) (resid 52 and name hn  ) 1.80 0.00 2.20
assign (resid 51 and name ha  ) (resid 53 and name hn  ) 1.80 0.00 3.20
assign (resid 51 and name ha  ) (resid 54 and name hn  ) 1.80 0.00 2.20
assign (resid 51 and name hb# ) (resid 51 and name hn  ) 1.80 0.00 1.20
assign (resid 51 and name hb# ) (resid 52 and name hn  ) 1.80 0.00 1.20
assign (resid 51 and name hn  ) (resid 52 and name hn  ) 1.80 0.00 1.20
assign (resid 51 and name hn  ) (resid 53 and name hn  ) 1.80 0.00 3.20
!T52
assign (resid 52 and name ha  ) (resid 52 and name hn  ) 1.80 0.00 1.20
assign (resid 52 and name ha  ) (resid 53 and name hn  ) 1.80 0.00 2.20
assign (resid 52 and name ha  ) (resid 55 and name hn  ) 1.80 0.00 2.20
assign (resid 52 and name hb  ) (resid 52 and name hn  ) 1.80 0.00 1.70
assign (resid 52 and name hb  ) (resid 53 and name hn  ) 1.80 0.00 1.70
assign (resid 52 and name hg2# ) (resid 52 and name hn  ) 1.80 0.00 3.20
assign (resid 52 and name hg2# ) (resid 53 and name hn  ) 1.80 0.00 3.20
assign (resid 52 and name hg2# ) (resid 56 and name hn  ) 1.80 0.00 3.20
assign (resid 52 and name hn  ) (resid 53 and name hg# ) 1.80 0.00 3.20
assign (resid 52 and name hn  ) (resid 53 and name hn  ) 1.80 0.00 1.20
assign (resid 52 and name hn  ) (resid 54 and name hn  ) 1.80 0.00 3.20
!M53
assign (resid 53 and name ha  ) (resid 53 and name hn  ) 1.80 0.00 1.20
assign (resid 53 and name ha  ) (resid 54 and name hn  ) 1.80 0.00 2.20
assign (resid 53 and name ha  ) (resid 55 and name hn  ) 1.80 0.00 3.20
assign (resid 53 and name ha  ) (resid 56 and name hn  ) 1.80 0.00 2.20
assign (resid 53 and name ha  ) (resid 57 and name hn  ) 1.80 0.00 3.20
assign (resid 53 and name hb# ) (resid 53 and name hn  ) 1.80 0.00 1.70
assign (resid 53 and name hb# ) (resid 54 and name hn  ) 1.80 0.00 1.70
assign (resid 53 and name hb# ) (resid 57 and name hn  ) 1.80 0.00 4.20
assign (resid 53 and name hg# ) (resid 53 and name hn  ) 1.80 0.00 1.70
assign (resid 53 and name hg# ) (resid 57 and name hn  ) 1.80 0.00 3.70
assign (resid 53 and name he# ) (resid 53 and name hn  ) 1.80 0.00 3.20
assign (resid 53 and name he# ) (resid 54 and name hn  ) 1.80 0.00 3.20
assign (resid 53 and name he# ) (resid 57 and name hn  ) 1.80 0.00 4.20
assign (resid 53 and name he# ) (resid 68 and name hn  ) 1.80 0.00 4.20
assign (resid 53 and name he# ) (resid 71 and name hn  ) 1.80 0.00 3.20
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assign (resid 53 and name hn  ) (resid 55 and name hn  ) 1.80 0.00 3.20
assign (resid 53 and name hn  ) (resid 62 and name he# ) 1.80 0.00 4.20
!K54
assign (resid 54 and name ha  ) (resid 54 and name hn  ) 1.80 0.00 1.20
assign (resid 54 and name ha  ) (resid 55 and name hn  ) 1.80 0.00 2.20
assign (resid 54 and name ha  ) (resid 57 and name hn  ) 1.80 0.00 2.20
assign (resid 54 and name hb# ) (resid 54 and name hn  ) 1.80 0.00 1.70
assign (resid 54 and name hb# ) (resid 55 and name hn  ) 1.80 0.00 1.70
assign (resid 54 and name he# ) (resid 54 and name hn  ) 1.80 0.00 4.20
assign (resid 54 and name hn  ) (resid 55 and name hn  ) 1.80 0.00 1.20
assign (resid 54 and name hn  ) (resid 56 and name hn  ) 1.80 0.00 3.20
!E55
assign (resid 55 and name ha  ) (resid 55 and name hn  ) 1.80 0.00 1.20
assign (resid 55 and name ha  ) (resid 56 and name hn  ) 1.80 0.00 2.20
assign (resid 55 and name ha  ) (resid 58 and name hn  ) 1.80 0.00 2.20
assign (resid 55 and name ha  ) (resid 59 and name hd21 ) 1.80 0.00 4.20
assign (resid 55 and name ha  ) (resid 59 and name hd22 ) 1.80 0.00 4.20
assign (resid 55 and name hb# ) (resid 55 and name hn  ) 1.80 0.00 1.20
assign (resid 55 and name hb# ) (resid 56 and name hn  ) 1.80 0.00 1.70
assign (resid 55 and name hb# ) (resid 59 and name hd21 ) 1.80 0.00 4.20
assign (resid 55 and name hb# ) (resid 59 and name hd22 ) 1.80 0.00 4.20
assign (resid 55 and name hg# ) (resid 55 and name hn  ) 1.80 0.00 3.20
assign (resid 55 and name hg# ) (resid 59 and name hd21 ) 1.80 0.00 3.20
assign (resid 55 and name hg# ) (resid 59 and name hd22 ) 1.80 0.00 3.20
assign (resid 55 and name hn  ) (resid 56 and name hn  ) 1.80 0.00 1.20
assign (resid 55 and name hn  ) (resid 57 and name hn  ) 1.80 0.00 3.20
assign (resid 55 and name hn  ) (resid 62 and name he# ) 1.80 0.00 4.20
!K56
assign (resid 56 and name ha  ) (resid 56 and name hn  ) 1.80 0.00 1.20
assign (resid 56 and name ha  ) (resid 57 and name hn  ) 1.80 0.00 2.20
assign (resid 56 and name ha  ) (resid 59 and name hn  ) 1.80 0.00 2.20
assign (resid 56 and name ha  ) (resid 61 and name hn  ) 1.80 0.00 3.20
assign (resid 56 and name hb# ) (resid 56 and name hn  ) 1.80 0.00 1.20
assign (resid 56 and name hb# ) (resid 57 and name hn  ) 1.80 0.00 1.70
assign (resid 56 and name hb# ) (resid 59 and name hn  ) 1.80 0.00 4.20
assign (resid 56 and name hb# ) (resid 60 and name hn  ) 1.80 0.00 4.20
assign (resid 56 and name hb# ) (resid 61 and name hn  ) 1.80 0.00 3.20
assign (resid 56 and name hb# ) (resid 62 and name hn  ) 1.80 0.00 2.20
assign (resid 56 and name hn  ) (resid 57 and name hn  ) 1.80 0.00 1.20
assign (resid 56 and name hn  ) (resid 58 and name hn  ) 1.80 0.00 3.20
assign (resid 56 and name hn  ) (resid 62 and name hd# ) 1.80 0.00 2.70
assign (resid 56 and name hn  ) (resid 62 and name he# ) 1.80 0.00 2.70
!I57
assign (resid 57 and name ha  ) (resid 57 and name hn  ) 1.80 0.00 1.20
assign (resid 57 and name ha  ) (resid 58 and name hn  ) 1.80 0.00 2.20
assign (resid 57 and name ha  ) (resid 60 and name hn  ) 1.80 0.00 3.20
assign (resid 57 and name ha  ) (resid 62 and name hn  ) 1.80 0.00 2.20
assign (resid 57 and name hb  ) (resid 57 and name hn  ) 1.80 0.00 2.20
assign (resid 57 and name hb  ) (resid 58 and name hn  ) 1.80 0.00 2.20
assign (resid 57 and name hg2# ) (resid 57 and name hn  ) 1.80 0.00 2.70
assign (resid 57 and name hg2# ) (resid 58 and name hn  ) 1.80 0.00 3.20
assign (resid 57 and name hg2# ) (resid 59 and name hn  ) 1.80 0.00 4.20
assign (resid 57 and name hg2# ) (resid 60 and name hn  ) 1.80 0.00 4.20
assign (resid 57 and name hd1# ) (resid 57 and name hn  ) 1.80 0.00 3.20
assign (resid 57 and name hn  ) (resid 58 and name hn  ) 1.80 0.00 1.20
assign (resid 57 and name hn  ) (resid 59 and name hn  ) 1.80 0.00 3.20
assign (resid 57 and name hn  ) (resid 62 and name hd# ) 1.80 0.00 2.20
assign (resid 57 and name hn  ) (resid 62 and name he# ) 1.80 0.00 2.70
!K58
assign (resid 58 and name ha  ) (resid 58 and name hn  ) 1.80 0.00 1.20
assign (resid 58 and name ha  ) (resid 59 and name hn  ) 1.80 0.00 2.20
assign (resid 58 and name hb# ) (resid 58 and name hn  ) 1.80 0.00 1.20
assign (resid 58 and name hb# ) (resid 59 and name hn  ) 1.80 0.00 1.70
assign (resid 58 and name hg# ) (resid 59 and name hn  ) 1.80 0.00 3.20
assign (resid 58 and name hd# ) (resid 58 and name hn  ) 1.80 0.00 3.20
assign (resid 58 and name hn  ) (resid 59 and name hb# ) 1.80 0.00 3.20
assign (resid 58 and name hn  ) (resid 59 and name hn  ) 1.80 0.00 1.20
assign (resid 58 and name hn  ) (resid 62 and name hd# ) 1.80 0.00 3.70
!N59
assign (resid 59 and name ha  ) (resid 59 and name hn  ) 1.80 0.00 1.20
assign (resid 59 and name ha  ) (resid 60 and name hn  ) 1.80 0.00 2.20
assign (resid 59 and name hb1 ) (resid 59 and name hn  ) 1.80 0.00 1.70
assign (resid 59 and name hb2 ) (resid 59 and name hn  ) 1.80 0.00 1.70
assign (resid 59 and name hb# ) (resid 59 and name hn  ) 1.80 0.00 1.20
assign (resid 59 and name hb# ) (resid 60 and name hn  ) 1.80 0.00 2.20
assign (resid 59 and name hb1 ) (resid 61 and name hn  ) 1.80 0.00 2.70
assign (resid 59 and name hb2 ) (resid 61 and name hn  ) 1.80 0.00 1.70
assign (resid 59 and name hd2# ) (resid 59 and name hn  ) 1.80 0.00 2.70
assign (resid 59 and name hn  ) (resid 60 and name hd2# ) 1.80 0.00 3.70
assign (resid 59 and name hn  ) (resid 60 and name hn  ) 1.80 0.00 1.70
assign (resid 59 and name hn  ) (resid 61 and name hn  ) 1.80 0.00 2.70
!N60
assign (resid 60 and name ha  ) (resid 60 and name hn  ) 1.80 0.00 1.20
assign (resid 60 and name hd21 ) (resid 60 and name ha  ) 1.80 0.00 3.20
assign (resid 60 and name hd22 ) (resid 60 and name ha  ) 1.80 0.00 3.20
assign (resid 60 and name ha  ) (resid 61 and name hn  ) 1.80 0.00 1.20
assign (resid 60 and name ha  ) (resid 62 and name hn  ) 1.80 0.00 2.20
assign (resid 60 and name ha  ) (resid 63 and name hn  ) 1.80 0.00 3.70
assign (resid 60 and name hb1 ) (resid 60 and name hn  ) 1.80 0.00 2.20
assign (resid 60 and name hb2 ) (resid 60 and name hn  ) 1.80 0.00 1.70
assign (resid 60 and name hb1 ) (resid 61 and name hn  ) 1.80 0.00 3.20
assign (resid 60 and name hb2 ) (resid 61 and name hn  ) 1.80 0.00 3.20
assign (resid 60 and name hd21 ) (resid 60 and name hn  ) 1.80 0.00 3.20
assign (resid 60 and name hd22 ) (resid 60 and name hn  ) 1.80 0.00 3.20
assign (resid 60 and name hn  ) (resid 61 and name hn  ) 1.80 0.00 1.20
assign (resid 60 and name hn  ) (resid 62 and name hn  ) 1.80 0.00 2.70
!D61
assign (resid 61 and name ha  ) (resid 61 and name hn  ) 1.80 0.00 1.20
assign (resid 61 and name ha  ) (resid 62 and name hn  ) 1.80 0.00 2.20
assign (resid 61 and name hb1 ) (resid 61 and name hn  ) 1.80 0.00 2.20
assign (resid 61 and name hb2 ) (resid 61 and name hn  ) 1.80 0.00 2.20
assign (resid 61 and name hn  ) (resid 62 and name hn  ) 1.80 0.00 1.20
assign (resid 61 and name hn  ) (resid 62 and name hd# ) 1.80 0.00 4.20
!Y62
assign (resid 62 and name ha  ) (resid 62 and name hn  ) 1.80 0.00 1.70
assign (resid 62 and name ha  ) (resid 63 and name hn  ) 1.80 0.00 1.20
assign (resid 62 and name ha  ) (resid 64 and name hn  ) 1.80 0.00 3.20
assign (resid 62 and name hb1 ) (resid 62 and name hn  ) 1.80 0.00 2.20
assign (resid 62 and name hb2 ) (resid 62 and name hn  ) 1.80 0.00 2.20
assign (resid 62 and name hb# ) (resid 62 and name hn  ) 1.80 0.00 1.70
assign (resid 62 and name hb# ) (resid 63 and name hn  ) 1.80 0.00 2.70
assign (resid 62 and name hb# ) (resid 64 and name hn  ) 1.80 0.00 3.20
assign (resid 62 and name hb# ) (resid 68 and name hn  ) 1.80 0.00 4.20
assign (resid 62 and name hd# ) (resid 62 and name hn  ) 1.80 0.00 2.20
assign (resid 62 and name hd# ) (resid 63 and name hn  ) 1.80 0.00 2.70
assign (resid 62 and name hd# ) (resid 64 and name hn  ) 1.80 0.00 3.20
assign (resid 62 and name hd# ) (resid 68 and name hn  ) 1.80 0.00 3.20
assign (resid 62 and name hd# ) (resid 69 and name hn  ) 1.80 0.00 4.20
assign (resid 62 and name he# ) (resid 68 and name hn  ) 1.80 0.00 4.20
assign (resid 62 and name he# ) (resid 71 and name hn  ) 1.80 0.00 3.20
assign (resid 62 and name hn  ) (resid 62 and name hd# ) 1.80 0.00 2.20
assign (resid 62 and name hn  ) (resid 63 and name hn  ) 1.80 0.00 2.70
!Q63
assign (resid 63 and name ha  ) (resid 63 and name hn  ) 1.80 0.00 1.20
assign (resid 63 and name ha  ) (resid 64 and name hn  ) 1.80 0.00 1.20
assign (resid 63 and name hb1 ) (resid 63 and name hn  ) 1.80 0.00 2.20
assign (resid 63 and name hb2 ) (resid 63 and name hn  ) 1.80 0.00 2.20
assign (resid 63 and name hb# ) (resid 63 and name hn  ) 1.80 0.00 1.20
assign (resid 63 and name hb# ) (resid 64 and name hn  ) 1.80 0.00 3.20
assign (resid 63 and name hg# ) (resid 63 and name hn  ) 1.80 0.00 3.20
assign (resid 63 and name hn  ) (resid 64 and name ha  ) 1.80 0.00 3.70
assign (resid 63 and name hn  ) (resid 64 and name hb# ) 1.80 0.00 3.20
assign (resid 63 and name hn  ) (resid 64 and name hn  ) 1.80 0.00 1.20
assign (resid 63 and name hn  ) (resid 65 and name hn  ) 1.80 0.00 4.20
assign (resid 63 and name hn  ) (resid 67 and name hb# ) 1.80 0.00 2.70
assign (resid 63 and name hn  ) (resid 67 and name hg# ) 1.80 0.00 3.20
assign (resid 63 and name hn  ) (resid 67 and name hn  ) 1.80 0.00 3.70
assign (resid 63 and name hn  ) (resid 68 and name hd* ) 1.80 0.00 4.20
assign (resid 63 and name hn  ) (resid 68 and name hn  ) 1.80 0.00 3.20
!S64
assign (resid 64 and name ha  ) (resid 64 and name hn  ) 1.80 0.00 1.70
assign (resid 64 and name ha  ) (resid 65 and name hn  ) 1.80 0.00 1.20
assign (resid 64 and name ha  ) (resid 66 and name hn  ) 1.80 0.00 3.20
assign (resid 64 and name ha  ) (resid 67 and name hn  ) 1.80 0.00 3.20
assign (resid 64 and name hb1 ) (resid 64 and name hn  ) 1.80 0.00 2.20
assign (resid 64 and name hb2 ) (resid 64 and name hn  ) 1.80 0.00 2.20
assign (resid 64 and name hb1 ) (resid 65 and name hn  ) 1.80 0.00 2.20
assign (resid 64 and name hb2 ) (resid 65 and name hn  ) 1.80 0.00 2.20
assign (resid 64 and name hb# ) (resid 66 and name hn  ) 1.80 0.00 2.70
assign (resid 64 and name hn  ) (resid 67 and name hb# ) 1.80 0.00 1.70
assign (resid 64 and name hn  ) (resid 67 and name hg# ) 1.80 0.00 2.20
assign (resid 64 and name hn  ) (resid 68 and name hd* ) 1.80 0.00 3.20
assign (resid 64 and name hn  ) (resid 65 and name hn  ) 1.80 0.00 2.70
assign (resid 64 and name hn  ) (resid 66 and name hn  ) 1.80 0.00 3.70
assign (resid 64 and name hn  ) (resid 68 and name hn  ) 1.80 0.00 2.20
!I65
assign (resid 65 and name ha  ) (resid 65 and name hn  ) 1.80 0.00 1.70
assign (resid 65 and name ha  ) (resid 66 and name hn  ) 1.80 0.00 2.20
assign (resid 65 and name ha  ) (resid 67 and name hn  ) 1.80 0.00 3.20
assign (resid 65 and name hb  ) (resid 65 and name hn  ) 1.80 0.00 1.70
assign (resid 65 and name hg1# ) (resid 65 and name hn  ) 1.80 0.00 1.70
assign (resid 65 and name hg2# ) (resid 65 and name hn  ) 1.80 0.00 1.70
assign (resid 65 and name hg2# ) (resid 66 and name hn  ) 1.80 0.00 3.20
assign (resid 65 and name hd1# ) (resid 65 and name hn  ) 1.80 0.00 3.20
assign (resid 65 and name hn  ) (resid 66 and name hn  ) 1.80 0.00 1.20
assign (resid 65 and name hn  ) (resid 68 and name hd*  ) 1.80 0.00 4.20
assign (resid 65 and name hn  ) (resid 66 and name hn  ) 1.80 0.00 1.20
assign (resid 65 and name hn  ) (resid 67 and name hb# ) 1.80 0.00 3.20
assign (resid 65 and name hn  ) (resid 67 and name hn  ) 1.80 0.00 3.20
assign (resid 65 and name hn  ) (resid 68 and name hn  ) 1.80 0.00 3.20
!E66
assign (resid 66 and name ha  ) (resid 66 and name hn  ) 1.80 0.00 1.20
assign (resid 66 and name ha  ) (resid 67 and name hn  ) 1.80 0.00 2.20
assign (resid 66 and name ha  ) (resid 68 and name hn  ) 1.80 0.00 3.20
assign (resid 66 and name ha  ) (resid 69 and name hn  ) 1.80 0.00 2.20
assign (resid 66 and name ha  ) (resid 70 and name hn  ) 1.80 0.00 3.20
assign (resid 66 and name hb# ) (resid 67 and name hn  ) 1.80 0.00 1.70
assign (resid 66 and name hg# ) (resid 66 and name hn  ) 1.80 0.00 3.20
assign (resid 66 and name hg# ) (resid 67 and name hn  ) 1.80 0.00 3.70
assign (resid 66 and name hn  ) (resid 67 and name hn  ) 1.80 0.00 1.20
assign (resid 66 and name hn  ) (resid 68 and name hn  ) 1.80 0.00 3.20
!E67
assign (resid 67 and name ha  ) (resid 67 and name hn  ) 1.80 0.00 1.20
assign (resid 67 and name ha  ) (resid 68 and name hn  ) 1.80 0.00 2.20
assign (resid 67 and name ha  ) (resid 69 and name hn  ) 1.80 0.00 3.20
assign (resid 67 and name ha  ) (resid 70 and name hn  ) 1.80 0.00 2.20
assign (resid 67 and name ha  ) (resid 71 and name hn  ) 1.80 0.00 3.20
assign (resid 67 and name hb# ) (resid 67 and name hn  ) 1.80 0.00 1.20
assign (resid 67 and name hb# ) (resid 68 and name hn  ) 1.80 0.00 1.70
assign (resid 67 and name hg# ) (resid 67 and name hn  ) 1.80 0.00 3.20
assign (resid 67 and name hn  ) (resid 68 and name hd1# ) 1.80 0.00 4.20
assign (resid 67 and name hn  ) (resid 68 and name hd2# ) 1.80 0.00 4.20
assign (resid 67 and name hn  ) (resid 68 and name hn  ) 1.80 0.00 1.20
assign (resid 67 and name hn  ) (resid 69 and name hn  ) 1.80 0.00 3.20
assign (resid 67 and name hn  ) (resid 70 and name hn  ) 1.80 0.00 3.20
!L68
assign (resid 68 and name ha  ) (resid 68 and name hn  ) 1.80 0.00 1.20
assign (resid 68 and name ha  ) (resid 69 and name hn  ) 1.80 0.00 2.20
assign (resid 68 and name ha  ) (resid 70 and name hn  ) 1.80 0.00 3.20
assign (resid 68 and name ha  ) (resid 71 and name hn  ) 1.80 0.00 2.20
assign (resid 68 and name ha  ) (resid 72 and name hn  ) 1.80 0.00 3.20
assign (resid 68 and name hb# ) (resid 68 and name hn  ) 1.80 0.00 1.70
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!K69
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!D70
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!N71
assign (resid 71 and name ha  ) (resid 71 and name hn  ) 1.80 0.00 1.20
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!F72
assign (resid 72 and name ha  ) (resid 72 and name hn  ) 1.80 0.00 1.20
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!K73
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!T77
assign (resid 77 and name ha  ) (resid 77 and name hn  ) 1.80 0.00 1.20
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assign (resid 77 and name hb  ) (resid 77 and name hn  ) 1.80 0.00 1.70
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assign (resid 77 and name hn  ) (resid 97 and name hd* ) 1.80 0.00 3.20
!N78
assign (resid 78 and name ha  ) (resid 78 and name hn  ) 1.80 0.00 1.20
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!A79
assign (resid 79 and name ha  ) (resid 79 and name hn  ) 1.80 0.00 1.20
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assign (resid 81 and name ha  ) (resid 81 and name hn  ) 1.80 0.00 1.20
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!Y82
assign (resid 82 and name ha  ) (resid 82 and name hn  ) 1.80 0.00 1.20
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assign (resid 83 and name ha  ) (resid 83 and name hn  ) 1.80 0.00 1.20
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assign (resid 83 and name hb# ) (resid 86 and name hn  ) 1.80 0.00 3.70
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assign (resid 84 and name ha  ) (resid 84 and name hn  ) 1.80 0.00 1.20
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assign (resid 84 and name hg# ) (resid 84 and name hn  ) 1.80 0.00 3.20
assign (resid 84 and name hn  ) (resid 85 and name hd# ) 1.80 0.00 3.20
assign (resid 84 and name hn  ) (resid 86 and name hb# ) 1.80 0.00 3.20
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!P85
assign (resid 85 and name ha  ) (resid 86 and name hn  ) 1.80 0.00 1.70
assign (resid 85 and name ha  ) (resid 90 and name hn  ) 1.80 0.00 3.20
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assign (resid 85 and name hd2 ) (resid 86 and name hn  ) 1.80 0.00 3.20
!E86
assign (resid 86 and name ha  ) (resid 86 and name hn  ) 1.80 0.00 1.20
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assign (resid 86 and name hb# ) (resid 86 and name hn  ) 1.80 0.00 1.20
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assign (resid 86 and name hb# ) (resid 90 and name hn  ) 1.80 0.00 2.70
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assign (resid 87 and name ha  ) (resid 87 and name hn  ) 1.80 0.00 1.70
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assign (resid 87 and name ha  ) (resid 89 and name hn  ) 1.80 0.00 3.20
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assign (resid 87 and name hg1 ) (resid 89 and name hn  ) 1.80 0.00 4.20
assign (resid 87 and name hg1 ) (resid 90 and name hn  ) 1.80 0.00 3.20
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assign (resid 88 and name ha  ) (resid 88 and name hn  ) 1.80 0.00 1.20
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assign (resid 88 and name hg2# ) (resid 88 and name hn  ) 1.80 0.00 3.20
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assign (resid 88 and name hd1# ) (resid 88 and name hn  ) 1.80 0.00 2.20
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!Y89
assign (resid 89 and name ha  ) (resid 89 and name hn  ) 1.80 0.00 1.20
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assign (resid 90 and name ha  ) (resid 90 and name hn  ) 1.80 0.00 1.20
assign (resid 90 and name ha  ) (resid 91 and name hn  ) 1.80 0.00 2.20
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assign (resid 90 and name hb# ) (resid 90 and name hn  ) 1.80 0.00 1.20
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assign (resid 90 and name hb# ) (resid 93 and name hn  ) 1.80 0.00 4.20
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assign (resid 90 and name hn  ) (resid 92 and name hn  ) 1.80 0.00 3.20
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!K91
assign (resid 91 and name ha  ) (resid 91 and name hn  ) 1.80 0.00 1.20
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assign (resid 91 and name ha  ) (resid 94 and name hn  ) 1.80 0.00 2.20
assign (resid 91 and name hb# ) (resid 91 and name hn  ) 1.80 0.00 1.20
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!A92
assign (resid 92 and name ha  ) (resid 92 and name hn  ) 1.80 0.00 1.20
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assign (resid 92 and name ha  ) (resid 95 and name hn  ) 1.80 0.00 2.20
assign (resid 92 and name hb# ) (resid 92 and name hn  ) 1.80 0.00 1.20
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assign (resid 92 and name hn  ) (resid 93 and name hn  ) 1.80 0.00 1.20
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!A93
assign (resid 93 and name ha  ) (resid 93 and name hn  ) 1.80 0.00 1.20
assign (resid 93 and name ha  ) (resid 94 and name hn  ) 1.80 0.00 2.20
assign (resid 93 and name ha  ) (resid 95 and name hn  ) 1.80 0.00 3.20
assign (resid 93 and name ha  ) (resid 96 and name hn  ) 1.80 0.00 2.20
assign (resid 93 and name hb# ) (resid 93 and name hn  ) 1.80 0.00 1.20
assign (resid 93 and name hb# ) (resid 94 and name hn  ) 1.80 0.00 1.70
assign (resid 93 and name hn  ) (resid 94 and name hn  ) 1.80 0.00 1.20
assign (resid 93 and name hn  ) (resid 95 and name hn  ) 1.80 0.00 3.20
!K94
assign (resid 94 and name ha  ) (resid 94 and name hn  ) 1.80 0.00 1.20
assign (resid 94 and name ha  ) (resid 95 and name hn  ) 1.80 0.00 2.20
assign (resid 94 and name ha  ) (resid 97 and name hn  ) 1.80 0.00 2.20
assign (resid 94 and name ha  ) (resid 98 and name hn  ) 1.80 0.00 3.20
assign (resid 94 and name hb1 ) (resid 94 and name hn  ) 1.80 0.00 1.70
assign (resid 94 and name hb2 ) (resid 94 and name hn  ) 1.80 0.00 1.70
assign (resid 94 and name hb# ) (resid 95 and name hn  ) 1.80 0.00 1.20
assign (resid 94 and name hg# ) (resid 94 and name hn  ) 1.80 0.00 3.20
assign (resid 94 and name he# ) (resid 94 and name hn  ) 1.80 0.00 4.20
assign (resid 94 and name hn  ) (resid 95 and name hn  ) 1.80 0.00 1.20
assign (resid 94 and name hn  ) (resid 96 and name hn  ) 1.80 0.00 3.20
!K95
assign (resid 95 and name ha  ) (resid 95 and name hn  ) 1.80 0.00 1.20
assign (resid 95 and name ha  ) (resid 96 and name hn  ) 1.80 0.00 2.20
assign (resid 95 and name ha  ) (resid 98 and name hn  ) 1.80 0.00 2.20
assign (resid 95 and name hb# ) (resid 95 and name hn  ) 1.80 0.00 1.20
assign (resid 95 and name hb# ) (resid 96 and name hn  ) 1.80 0.00 1.20
assign (resid 95 and name hg# ) (resid 95 and name hn  ) 1.80 0.00 3.20
assign (resid 95 and name hg# ) (resid 96 and name hn  ) 1.80 0.00 3.20
assign (resid 95 and name he# ) (resid 95 and name hn  ) 1.80 0.00 4.20
assign (resid 95 and name hn  ) (resid 96 and name hn  ) 1.80 0.00 1.20
assign (resid 95 and name hn  ) (resid 97 and name hn  ) 1.80 0.00 3.20
!L96
assign (resid 96 and name ha  ) (resid 96 and name hn  ) 1.80 0.00 1.20
assign (resid 96 and name ha  ) (resid 97 and name hn  ) 1.80 0.00 2.20
assign (resid 96 and name ha  ) (resid 99 and name hn  ) 1.80 0.00 2.20
assign (resid 96 and name hb# ) (resid 96 and name hn  ) 1.80 0.00 1.20
assign (resid 96 and name hb# ) (resid 97 and name hn  ) 1.80 0.00 1.70
assign (resid 96 and name hd1# ) (resid 96 and name hn  ) 1.80 0.00 3.20
assign (resid 96 and name hd2# ) (resid 96 and name hn  ) 1.80 0.00 3.20
assign (resid 96 and name hd1# ) (resid 100 and name hn  ) 1.80 0.00 4.20
assign (resid 96 and name hd2# ) (resid 100 and name hn  ) 1.80 0.00 4.20
assign (resid 96 and name hn  ) (resid 97 and name hn  ) 1.80 0.00 1.20
assign (resid 96 and name hn  ) (resid 98 and name hn  ) 1.80 0.00 3.20
!L97
assign (resid 97 and name ha  ) (resid 97 and name hn  ) 1.80 0.00 1.20
assign (resid 97 and name ha  ) (resid 98 and name hn  ) 1.80 0.00 2.20
assign (resid 97 and name ha  ) (resid 100 and name hn  ) 1.80 0.00 2.20
assign (resid 97 and name hb# ) (resid 97 and name hn  ) 1.80 0.00 1.70
assign (resid 97 and name hb# ) (resid 98 and name hn  ) 1.80 0.00 2.20
assign (resid 97 and name hg  ) (resid 101 and name hn ) 1.80 0.00 4.20
assign (resid 97 and name hd* ) (resid 97 and name hn  ) 1.80 0.00 2.70
assign (resid 97 and name hd* ) (resid 98 and name hn  ) 1.80 0.00 3.70
assign (resid 97 and name hd* ) (resid 101 and name hn  ) 1.80 0.00 4.70
assign (resid 97 and name hn  ) (resid 98 and name hn  ) 1.80 0.00 1.20
!H98
assign (resid 98 and name ha  ) (resid 98 and name hn  ) 1.80 0.00 1.20
assign (resid 98 and name ha  ) (resid 99 and name hn  ) 1.80 0.00 2.20
assign (resid 98 and name ha  ) (resid 101 and name hn  ) 1.80 0.00 2.20
assign (resid 98 and name hb# ) (resid 98 and name hn  ) 1.80 0.00 1.20
assign (resid 98 and name hb# ) (resid 99 and name hn  ) 1.80 0.00 1.20
assign (resid 98 and name hd# ) (resid 98 and name hn  ) 1.80 0.00 2.20
assign (resid 98 and name hd# ) (resid 99 and name hn  ) 1.80 0.00 3.20
assign (resid 98 and name hn  ) (resid 99 and name hn  ) 1.80 0.00 1.20
assign (resid 98 and name hn  ) (resid 100 and name hn  ) 1.80 0.00 3.20
!S99
assign (resid 99 and name ha  ) (resid 99 and name hn  ) 1.80 0.00 1.20
assign (resid 99 and name ha  ) (resid 100 and name hn  ) 1.80 0.00 2.20
assign (resid 99 and name ha  ) (resid 102 and name hn  ) 1.80 0.00 2.20
assign (resid 99 and name ha  ) (resid 103 and name hn  ) 1.80 0.00 3.20
assign (resid 99 and name hb# ) (resid 99 and name hn  ) 1.80 0.00 1.20
assign (resid 99 and name hb# ) (resid 100 and name hn  ) 1.80 0.00 1.70
assign (resid 99 and name hn  ) (resid 100 and name hn  ) 1.80 0.00 1.20
assign (resid 99 and name hn  ) (resid 101 and name hn  ) 1.80 0.00 3.20
!G100
assign (resid 100 and name ha1 ) (resid 100 and name hn ) 1.80 0.00 1.20
assign (resid 100 and name ha2 ) (resid 100 and name hn ) 1.80 0.00 1.20
assign (resid 100 and name ha1 ) (resid 101 and name hn ) 1.80 0.00 3.20
assign (resid 100 and name ha2 ) (resid 101 and name hn ) 1.80 0.00 3.20
assign (resid 100 and name ha# ) (resid 101 and name hn ) 1.80 0.00 2.20
assign (resid 100 and name ha# ) (resid 103 and name hn ) 1.80 0.00 2.20
assign (resid 100 and name hn  ) (resid 101 and name hn  ) 1.80 0.00 1.20
assign (resid 100 and name hn  ) (resid 102 and name hn  ) 1.80 0.00 3.20
assign (resid 100 and name hn  ) (resid 103 and name hn  ) 1.80 0.00 3.70
!M101
assign (resid 101 and name ha  ) (resid 101 and name hn ) 1.80 0.00 1.20
assign (resid 101 and name ha  ) (resid 102 and name hn ) 1.80 0.00 2.20
assign (resid 101 and name ha  ) (resid 103 and name hn ) 1.80 0.00 3.20
assign (resid 101 and name ha  ) (resid 104 and name hn ) 1.80 0.00 2.20
assign (resid 101 and name hb1 ) (resid 101 and name hn ) 1.80 0.00 1.70
assign (resid 101 and name hb2 ) (resid 101 and name hn ) 1.80 0.00 1.70
assign (resid 101 and name hb# ) (resid 101 and name hn ) 1.80 0.00 1.20
assign (resid 101 and name hb# ) (resid 102 and name hn ) 1.80 0.00 2.20
assign (resid 101 and name hg1 ) (resid 101 and name hn ) 1.80 0.00 2.20
assign (resid 101 and name hg2 ) (resid 101 and name hn ) 1.80 0.00 2.20
assign (resid 101 and name hg# ) (resid 102 and name hn ) 1.80 0.00 4.20
assign (resid 101 and name hn  ) (resid 102 and name hn  ) 1.80 0.00 1.20
assign (resid 101 and name hn  ) (resid 103 and name hn  ) 1.80 0.00 3.20
!K102
assign (resid 102 and name ha  ) (resid 102 and name hn ) 1.80 0.00 1.20
assign (resid 102 and name ha  ) (resid 103 and name hn ) 1.80 0.00 2.20
assign (resid 102 and name ha  ) (resid 104 and name hn ) 1.80 0.00 3.20
assign (resid 102 and name ha  ) (resid 105 and name hn ) 1.80 0.00 2.20
assign (resid 102 and name hb# ) (resid 102 and name hn  ) 1.80 0.00 1.20
assign (resid 102 and name hb# ) (resid 103 and name hn  ) 1.80 0.00 1.70
assign (resid 102 and name hg1 ) (resid 102 and name hn ) 1.80 0.00 2.20
assign (resid 102 and name hg2 ) (resid 102 and name hn ) 1.80 0.00 2.20
assign (resid 102 and name hg# ) (resid 103 and name hn  ) 1.80 0.00 4.20
assign (resid 102 and name hd# ) (resid 102 and name hn  ) 1.80 0.00 3.20
assign (resid 102 and name hd# ) (resid 103 and name hn  ) 1.80 0.00 2.20
assign (resid 102 and name he# ) (resid 102 and name hn  ) 1.80 0.00 4.20
assign (resid 102 and name hn  ) (resid 103 and name hg2# ) 1.80 0.00 4.20
assign (resid 102 and name hn  ) (resid 103 and name hn  ) 1.80 0.00 1.20
assign (resid 102 and name hn  ) (resid 104 and name hn  ) 1.80 0.00 3.20
!I103
assign (resid 103 and name ha  ) (resid 103 and name hn ) 1.80 0.00 1.20
assign (resid 103 and name ha  ) (resid 104 and name hn ) 1.80 0.00 2.20
assign (resid 103 and name ha  ) (resid 105 and name hn ) 1.80 0.00 3.20
assign (resid 103 and name ha  ) (resid 106 and name hn ) 1.80 0.00 3.20
assign (resid 103 and name ha  ) (resid 106 and name he21 ) 1.80 0.00 3.20
assign (resid 103 and name ha  ) (resid 106 and name he22 ) 1.80 0.00 3.20
assign (resid 103 and name hb  ) (resid 103 and name hn ) 1.80 0.00 1.70
assign (resid 103 and name hg2# ) (resid 103 and name hn  ) 1.80 0.00 2.20
assign (resid 103 and name hg2# ) (resid 104 and name hn  ) 1.80 0.00 4.20
assign (resid 103 and name hn  ) (resid 104 and name hn  ) 1.80 0.00 1.20
assign (resid 103 and name hn  ) (resid 105 and name hn  ) 1.80 0.00 3.20
assign (resid 103 and name hn  ) (resid 106 and name hn  ) 1.80 0.00 4.20
!L104
assign (resid 104 and name ha  ) (resid 104 and name hn ) 1.80 0.00 1.20
assign (resid 104 and name ha  ) (resid 105 and name hn ) 1.80 0.00 2.20
assign (resid 104 and name ha  ) (resid 107 and name hn ) 1.80 0.00 2.20
assign (resid 104 and name hb# ) (resid 104 and name hn  ) 1.80 0.00 1.20
assign (resid 104 and name hb# ) (resid 105 and name hn  ) 1.80 0.00 2.20
assign (resid 104 and name hg  ) (resid 104 and name hn  ) 1.80 0.00 2.20
assign (resid 104 and name hg  ) (resid 105 and name hn  ) 1.80 0.00 3.70
assign (resid 104 and name hd1# ) (resid 104 and name hn  ) 1.80 0.00 3.20
assign (resid 104 and name hd2# ) (resid 104 and name hn  ) 1.80 0.00 3.20
assign (resid 104 and name hd*  ) (resid 105 and name hn  ) 1.80 0.00 4.20
assign (resid 104 and name hn  ) (resid 105 and name hn ) 1.80 0.00 1.20
assign (resid 104 and name hn  ) (resid 106 and name hn ) 1.80 0.00 3.20
!S105
assign (resid 105 and name ha  ) (resid 105 and name hn  ) 1.80 0.00 1.20
assign (resid 105 and name ha  ) (resid 106 and name hn  ) 1.80 0.00 2.20
assign (resid 105 and name ha  ) (resid 107 and name hn  ) 1.80 0.00 3.20
assign (resid 105 and name hb# ) (resid 105 and name hn  ) 1.80 0.00 1.20
assign (resid 105 and name hb# ) (resid 106 and name hn  ) 1.80 0.00 2.20
assign (resid 105 and name hn  ) (resid 106 and name hn  ) 1.80 0.00 1.20
assign (resid 105 and name hn  ) (resid 107 and name hn  ) 1.80 0.00 3.20
!Q106
assign (resid 106 and name ha  ) (resid 106 and name hn  ) 1.80 0.00 1.20
assign (resid 106 and name ha  ) (resid 107 and name hn  ) 1.80 0.00 2.20
assign (resid 106 and name hb# ) (resid 106 and name hn  ) 1.80 0.00 1.20
assign (resid 106 and name hb# ) (resid 107 and name hn  ) 1.80 0.00 2.20
assign (resid 106 and name hg# ) (resid 106 and name hn  ) 1.80 0.00 2.20
assign (resid 106 and name hg# ) (resid 107 and name hn  ) 1.80 0.00 3.20
assign (resid 106 and name hn  ) (resid 107 and name hn  ) 1.80 0.00 1.20
!E107
assign (resid 107 and name ha  ) (resid 107 and name hn  ) 1.80 0.00 1.20
assign (resid 107 and name ha  ) (resid 108 and name hn  ) 1.80 0.00 2.20
assign (resid 107 and name hb# ) (resid 107 and name hn  ) 1.80 0.00 1.70
assign (resid 107 and name hb# ) (resid 108 and name hn  ) 1.80 0.00 1.70
assign (resid 107 and name hg# ) (resid 107 and name hn  ) 1.80 0.00 2.70
assign (resid 107 and name hn  ) (resid 108 and name hn  ) 1.80 0.00 1.20
!R108
assign (resid 108 and name ha  ) (resid 108 and name hn  ) 1.80 0.00 1.20
assign (resid 108 and name hb# ) (resid 108 and name hn  ) 1.80 0.00 1.20
assign (resid 108 and name hg# ) (resid 108 and name hn  ) 1.80 0.00 3.20


!E1
!E2
assign (resid  2 and name ha  ) (resid  5 and name hg# ) 1.80 0.00 3.20
!V3
!E4
assign (resid  4 and name ha  ) (resid  7 and name hd# ) 1.80 0.00 2.20
!Q5
assign (resid  5 and name ha  ) (resid  8 and name hb# ) 1.80 0.00 2.20
assign (resid  5 and name ha  ) (resid  8 and name hd* ) 1.80 0.00 3.20
!T6
assign (resid  6 and name ha  ) (resid  6 and name hg2# ) 1.80 0.00 2.20
assign (resid  6 and name ha  ) (resid  7 and name hd#  ) 1.80 0.00 2.20
assign (resid  6 and name hb  ) (resid  7 and name hd#  ) 1.80 0.00 2.20
assign (resid  6 and name hg2# ) (resid  7 and name hd# ) 1.80 0.00 2.20
!P7
assign (resid  7 and name ha  ) (resid 10 and name hb# ) 1.80 0.00 2.20
assign (resid  7 and name hd# ) (resid  8 and name hd* ) 1.80 0.00 2.70
!L8
assign (resid  8 and name ha  ) (resid  8 and name hd* ) 1.80 0.00 2.20
assign (resid  8 and name ha  ) (resid 11 and name hb# ) 1.80 0.00 1.20
assign (resid  8 and name hd* ) (resid 11 and name hb# ) 1.80 0.00 3.20
assign (resid  8 and name hd* ) (resid 63 and name ha  ) 1.80 0.00 2.20
assign (resid  8 and name hd* ) (resid 63 and name hg# ) 1.80 0.00 3.20
assign (resid  8 and name hd* ) (resid 64 and name ha  ) 1.80 0.00 3.20
assign (resid  8 and name hd* ) (resid 68 and name hd* ) 1.80 0.00 4.20
!Q9
assign (resid  9 and name ha  ) (resid 12 and name hb# ) 1.80 0.00 2.20
assign (resid  9 and name hb# ) (resid 60 and name ha  ) 1.80 0.00 3.20
!E10
assign (resid 10 and name ha  ) (resid 13 and name hb# ) 1.80 0.00 2.20
!A11
assign (resid 11 and name ha  ) (resid 14 and name hb# ) 1.80 0.00 1.70
assign (resid 11 and name ha  ) (resid 14 and name hg# ) 1.80 0.00 3.70
assign (resid 11 and name ha  ) (resid 107 and name hg# ) 1.80 0.00 4.20
assign (resid 11 and name hb# ) (resid 12  and name hd* ) 1.80 0.00 3.20
assign (resid 11 and name hb# ) (resid 106 and name hb# ) 1.80 0.00 3.70
assign (resid 11 and name hb# ) (resid 107 and name ha  ) 1.80 0.00 3.20
!L12
assign (resid 12 and name ha  ) (resid 12 and name hd1# ) 1.80 0.00 3.20
assign (resid 12 and name ha  ) (resid 12 and name hd2# ) 1.80 0.00 2.20
assign (resid 12 and name ha  ) (resid 15 and name hb# ) 1.80 0.00 2.20
assign (resid 12 and name ha  ) (resid 15 and name hd* ) 1.80 0.00 2.20
assign (resid 12 and name hb# ) (resid 57 and name hg2# ) 1.80 0.00 2.20
assign (resid 12 and name hb# ) (resid 57 and name hd1# ) 1.80 0.00 2.20
assign (resid 12 and name hd* ) (resid 16 and name he# ) 1.80 0.00 3.20
assign (resid 12 and name hd* ) (resid 60 and name ha  ) 1.80 0.00 4.20
assign (resid 12 and name hd* ) (resid 62 and name ha  ) 1.80 0.00 4.20
assign (resid 12 and name hd1# ) (resid 62 and name hb# ) 1.80 0.00 3.20
assign (resid 12 and name hd2# ) (resid 62 and name hb# ) 1.80 0.00 4.20
assign (resid 12 and name hd* ) (resid 63 and name ha  ) 1.80 0.00 3.20
assign (resid 12 and name hd* ) (resid 65 and name ha  ) 1.80 0.00 3.20
assign (resid 12 and name hd* ) (resid 68 and name ha  ) 1.80 0.00 3.20
!N13
assign (resid 13 and name ha  ) (resid 16 and name hb# ) 1.80 0.00 2.20
assign (resid 13 and name ha  ) (resid 57 and name hg2# ) 1.80 0.00 3.20
assign (resid 13 and name ha  ) (resid 57 and name hd1# ) 1.80 0.00 2.70
assign (resid 13 and name hb# ) (resid 57 and name hd1# ) 1.80 0.00 3.20
assign (resid 13 and name hb# ) (resid 58 and name ha   ) 1.80 0.00 4.20
!Q14
assign (resid 14 and name ha  ) (resid 17 and name hb# ) 1.80 0.00 2.20
assign (resid 14 and name ha  ) (resid 17 and name hd# ) 1.80 0.00 3.20
!L15
assign (resid 15 and name ha  ) (resid 15 and name hd1# ) 1.80 0.00 2.20
assign (resid 15 and name ha  ) (resid 18 and name hb# ) 1.80 0.00 2.20
assign (resid 15 and name ha  ) (resid 103 and name ha   ) 1.80 0.00 4.20
assign (resid 15 and name ha  ) (resid 103 and name hb#  ) 1.80 0.00 2.20
assign (resid 15 and name ha  ) (resid 103 and name hg2#  ) 1.80 0.00 2.70
assign (resid 15 and name hb# ) (resid 103 and name ha   ) 1.80 0.00 3.20
assign (resid 15 and name hb# ) (resid 104 and name ha   ) 1.80 0.00 3.20
assign (resid 15 and name hd* ) (resid 104 and name ha   ) 1.80 0.00 2.20
assign (resid 15 and name hd1# ) (resid 107 and name hg# ) 1.80 0.00 2.70
!M16
assign (resid 16 and name ha  ) (resid 16 and name he#  ) 1.80 0.00 2.20
assign (resid 16 and name ha  ) (resid 19 and name hb#  ) 1.80 0.00 2.20
assign (resid 16 and name ha  ) (resid 19 and name hg   ) 1.80 0.00 3.20
assign (resid 16 and name ha  ) (resid 19 and name hd1# ) 1.80 0.00 2.20
assign (resid 16 and name ha  ) (resid 19 and name hd2# ) 1.80 0.00 4.20
assign (resid 16 and name ha  ) (resid 50 and name hb#  ) 1.80 0.00 3.70
assign (resid 16 and name hb# ) (resid 57 and name hd1# ) 1.80 0.00 3.20
assign (resid 16 and name hg# ) (resid 54 and name ha   ) 1.80 0.00 2.20
assign (resid 16 and name hg# ) (resid 57 and name hd1# ) 1.80 0.00 2.20
assign (resid 16 and name he# ) (resid 19 and name hd* ) 1.80 0.00 2.20
assign (resid 16 and name he# ) (resid 50 and name ha  ) 1.80 0.00 3.20
assign (resid 16 and name he# ) (resid 50 and name hd# ) 1.80 0.00 2.20
assign (resid 16 and name he# ) (resid 50 and name he# ) 1.80 0.00 4.20
assign (resid 16 and name he# ) (resid 53 and name he# ) 1.80 0.00 2.70
assign (resid 16 and name he# ) (resid 72 and name hb# ) 1.80 0.00 3.20
assign (resid 16 and name he# ) (resid 72 and name hd# ) 1.80 0.00 2.70
!R17
assign (resid 17 and name ha  ) (resid 17 and name hd# ) 1.80 0.00 3.20
assign (resid 17 and name ha  ) (resid 20 and name hb# ) 1.80 0.00 1.70
assign (resid 17 and name ha  ) (resid 20 and name hg# ) 1.80 0.00 3.20
!Q18
assign (resid 18 and name ha  ) (resid 21 and name hb# ) 1.80 0.00 2.20
assign (resid 18 and name ha  ) (resid 21 and name hd# ) 1.80 0.00 3.20
assign (resid 18 and name ha  ) (resid 103 and name hg2# ) 1.80 0.00 4.20
assign (resid 18 and name hb# ) (resid 103 and name hg2# ) 1.80 0.00 3.20
assign (resid 18 and name hb# ) (resid 103 and name hd1# ) 1.80 0.00 3.20
assign (resid 18 and name hg1 ) (resid 103 and name hg2# ) 1.80 0.00 4.20
assign (resid 18 and name hg2 ) (resid 103 and name hg2# ) 1.80 0.00 4.20
!L19
assign (resid 19 and name ha  ) (resid 19 and name hd1#  ) 1.80 0.00 3.20
assign (resid 19 and name ha  ) (resid 19 and name hd2#  ) 1.80 0.00 2.20
assign (resid 19 and name ha  ) (resid 96 and name hd1#  ) 1.80 0.00 3.20
assign (resid 19 and name ha  ) (resid 96 and name hd2#  ) 1.80 0.00 3.20
assign (resid 19 and name ha  ) (resid 96 and name hd*   ) 1.80 0.00 2.20
assign (resid 19 and name hg  ) (resid 100 and name ha#  ) 1.80 0.00 3.20
assign (resid 19 and name hd1# ) (resid 50 and name hd#  ) 1.80 0.00 3.20
assign (resid 19 and name hd2# ) (resid 50 and name hd#  ) 1.80 0.00 3.20
assign (resid 19 and name hd1# ) (resid 72 and name hd#  ) 1.80 0.00 3.20
assign (resid 19 and name hd2# ) (resid 72 and name hd#  ) 1.80 0.00 3.20
assign (resid 19 and name hd*  ) (resid 72 and name hd#  ) 1.80 0.00 2.20
assign (resid 19 and name hd1# ) (resid 72 and name he#  ) 1.80 0.00 3.20
assign (resid 19 and name hd2# ) (resid 72 and name he#  ) 1.80 0.00 3.20
assign (resid 19 and name hd*  ) (resid 72 and name he#  ) 1.80 0.00 2.20
assign (resid 19 and name hd* ) (resid 20 and name ha   ) 1.80 0.00 4.20
assign (resid 19 and name hd* ) (resid 96 and name hd1#  ) 1.80 0.00 3.20
assign (resid 19 and name hd* ) (resid 96 and name hd2#  ) 1.80 0.00 3.20
assign (resid 19 and name hd* ) (resid 96 and name hd*   ) 1.80 0.00 2.20
assign (resid 19 and name hd* ) (resid 100 and name ha#  ) 1.80 0.00 2.20
assign (resid 19 and name hd* ) (resid 103 and name hb   ) 1.80 0.00 3.20
assign (resid 19 and name hd* ) (resid 103 and name hd1# ) 1.80 0.00 3.20
!Q20
assign (resid 20 and name ha  ) (resid 25 and name hb1  ) 1.80 0.00 3.20
assign (resid 20 and name ha  ) (resid 25 and name hb2  ) 1.80 0.00 3.20
assign (resid 20 and name ha  ) (resid 25 and name hb#  ) 1.80 0.00 2.20
assign (resid 20 and name ha  ) (resid 96 and name hd*  ) 1.80 0.00 2.20
assign (resid 20 and name ha  ) (resid 50 and name hb#  ) 1.80 0.00 3.20
assign (resid 20 and name ha  ) (resid 50 and name hd#  ) 1.80 0.00 3.20
assign (resid 20 and name ha  ) (resid 50 and name he#  ) 1.80 0.00 3.20
assign (resid 20 and name hb# ) (resid 25 and name hb#  ) 1.80 0.00 4.20
assign (resid 20 and name hg# ) (resid 25 and name hb#  ) 1.80 0.00 3.20
assign (resid 20 and name hg# ) (resid 50 and name hb#  ) 1.80 0.00 3.20
assign (resid 20 and name hg# ) (resid 50 and name hd#  ) 1.80 0.00 3.20
!R21
assign (resid 21 and name ha  ) (resid 21 and name hd# ) 1.80 0.00 2.70
!K22
assign (resid 22 and name hb# ) (resid 96 and name hd* ) 1.80 0.00 2.20
!D23
assign (resid 23 and name ha  ) (resid 24 and name hd1 ) 1.80 0.00 2.20
assign (resid 23 and name ha  ) (resid 24 and name hd2 ) 1.80 0.00 2.20
assign (resid 23 and name ha  ) (resid 24 and name hd# ) 1.80 0.00 1.70
assign (resid 23 and name ha  ) (resid 24 and name hg# ) 1.80 0.00 3.20
assign (resid 23 and name ha  ) (resid 25 and name hb# ) 1.80 0.00 4.20
!P24
assign (resid 24 and name ha  ) (resid 24 and name hd# ) 1.80 0.00 2.70
assign (resid 24 and name ha  ) (resid 92 and name hb# ) 1.80 0.00 1.20
assign (resid 24 and name hb# ) (resid 92 and name ha  ) 1.80 0.00 2.20
assign (resid 24 and name hb# ) (resid 93 and name ha  ) 1.80 0.00 3.20
assign (resid 24 and name hb# ) (resid 96 and name hd* ) 1.80 0.00 2.70
assign (resid 24 and name hg# ) (resid 96 and name hd* ) 1.80 0.00 2.20
assign (resid 24 and name hd# ) (resid 92 and name ha  ) 1.80 0.00 3.20
assign (resid 24 and name hd# ) (resid 96 and name hd* ) 1.80 0.00 2.20
!S25
assign (resid 25 and name ha  ) (resid 96 and name hd* ) 1.80 0.00 2.20
assign (resid 25 and name hb# ) (resid 96 and name hd1# ) 1.80 0.00 3.20
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assign (resid 25 and name hb2 ) (resid 96 and name hd2# ) 1.80 0.00 3.20
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!A26
assign (resid 26 and name ha  ) (resid 29 and name hb# ) 1.80 0.00 2.20
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!F27
assign (resid 27 and name ha  ) (resid 27 and name hd# ) 1.80 0.00 1.20
assign (resid 27 and name ha  ) (resid 27 and name he# ) 1.80 0.00 3.20
assign (resid 27 and name hd# ) (resid 92 and name hb# ) 1.80 0.00 2.20
assign (resid 27 and name hd# ) (resid 92 and name hb# ) 1.80 0.00 4.20
assign (resid 27 and name hd# ) (resid 29 and name hb# ) 1.80 0.00 4.20
!F28
assign (resid 28 and name ha  ) (resid 28 and name hd# ) 1.80 0.00 1.70
assign (resid 28 and name ha  ) (resid 32 and name hg* ) 1.80 0.00 4.20
assign (resid 28 and name ha  ) (resid 36 and name hg2# ) 1.80 0.00 4.20
assign (resid 28 and name ha  ) (resid 75 and name he# ) 1.80 0.00 3.20
assign (resid 28 and name hb1 ) (resid 28 and name hd# ) 1.80 0.00 1.70
assign (resid 28 and name hb2 ) (resid 28 and name hd# ) 1.80 0.00 1.70
assign (resid 28 and name hd# ) (resid 32 and name hg* ) 1.80 0.00 4.20
assign (resid 28 and name he# or name hz ) (resid 79 and name hb# ) 1.80 0.00 2.20
assign (resid 28 and name he# or name hz ) (resid 93 and name ha  ) 1.80 0.00 2.20
assign (resid 28 and name he# or name hz ) (resid 93 and name hb# ) 1.80 0.00 2.20
!S29
assign (resid 29 and name ha  ) (resid 50 and name ha  ) 1.80 0.00 3.70
assign (resid 29 and name ha  ) (resid 50 and name hb# ) 1.80 0.00 1.20
assign (resid 29 and name ha  ) (resid 50 and name hd# ) 1.80 0.00 2.20
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!F30
assign (resid 30 and name ha  ) (resid 30 and name hd# ) 1.80 0.00 2.20
assign (resid 30 and name ha  ) (resid 31 and name ha  ) 1.80 0.00 3.20
assign (resid 30 and name ha  ) (resid 31 and name hd1 ) 1.80 0.00 1.70
assign (resid 30 and name ha  ) (resid 31 and name hd2 ) 1.80 0.00 1.70
assign (resid 30 and name ha  ) (resid 51 and name hb# ) 1.80 0.00 1.20
assign (resid 30 and name hb1 ) (resid 30 and name hd# ) 1.80 0.00 1.20
assign (resid 30 and name hb2 ) (resid 30 and name hd# ) 1.80 0.00 1.20
assign (resid 30 and name hb1 ) (resid 31 and name hd# ) 1.80 0.00 3.20
assign (resid 30 and name hb2 ) (resid 31 and name hd# ) 1.80 0.00 3.20
assign (resid 30 and name hb# ) (resid 31 and name hd# ) 1.80 0.00 2.20
assign (resid 30 and name hb# ) (resid 51 and name hb# ) 1.80 0.00 3.20
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!P31
assign (resid 31 and name ha  ) (resid 32 and name hg2# ) 1.80 0.00 3.20
assign (resid 31 and name ha  ) (resid 49 and name hb# ) 1.80 0.00 3.20
assign (resid 31 and name hb# ) (resid 32 and name hg* ) 1.80 0.00 4.20
assign (resid 31 and name hb# ) (resid 33 and name hg2# ) 1.80 0.00 4.20
assign (resid 31 and name hb# ) (resid 49 and name hb# ) 1.80 0.00 4.20
assign (resid 31 and name hb# ) (resid 51 and name hb# ) 1.80 0.00 4.20
assign (resid 31 and name hb# ) (resid 52 and name hb  ) 1.80 0.00 4.20
assign (resid 31 and name hb# ) (resid 52 and name hg2# ) 1.80 0.00 3.20
!V32
assign (resid 32 and name ha  ) (resid 32 and name hg1# ) 1.80 0.00 2.20
assign (resid 32 and name ha  ) (resid 32 and name hg2# ) 1.80 0.00 1.20
assign (resid 32 and name ha  ) (resid 36 and name hb   ) 1.80 0.00 2.20
assign (resid 32 and name ha  ) (resid 36 and name hg2# ) 1.80 0.00 2.20
assign (resid 32 and name hb  ) (resid 40 and name he#  ) 1.80 0.00 3.20
assign (resid 32 and name hg*  ) (resid 33 and name ha  ) 1.80 0.00 4.20
assign (resid 32 and name hg*  ) (resid 34 and name ha  ) 1.80 0.00 4.20
assign (resid 32 and name hg*  ) (resid 36 and name ha   ) 1.80 0.00 4.20
assign (resid 32 and name hg*  ) (resid 36 and name hb   ) 1.80 0.00 4.20
assign (resid 32 and name hg1# ) (resid 36 and name hd1# ) 1.80 0.00 4.20
assign (resid 32 and name hg2# ) (resid 36 and name hd1# ) 1.80 0.00 4.20
assign (resid 32 and name hg*  ) (resid 36 and name hg2# ) 1.80 0.00 3.20
assign (resid 32 and name hg1# ) (resid 37 and name ha  ) 1.80 0.00 4.20
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assign (resid 32 and name hg*  ) (resid 37 and name ha  ) 1.80 0.00 3.20
assign (resid 32 and name hg*  ) (resid 37 and name hb# ) 1.80 0.00 2.20
assign (resid 32 and name hg*  ) (resid 39 and name ha# ) 1.80 0.00 4.20
assign (resid 32 and name hg1# ) (resid 40 and name hb# ) 1.80 0.00 3.20
assign (resid 32 and name hg2# ) (resid 40 and name hb# ) 1.80 0.00 3.20
assign (resid 32 and name hg*  ) (resid 40 and name hb# ) 1.80 0.00 2.20
assign (resid 32 and name hg*  ) (resid 40 and name hd1 ) 1.80 0.00 3.20
assign (resid 32 and name hg*  ) (resid 40 and name hd2 ) 1.80 0.00 3.20
assign (resid 32 and name hg1# ) (resid 40 and name he# ) 1.80 0.00 4.20
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!T33
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assign (resid 33 and name hb  ) (resid 36 and name hd1# ) 1.80 0.00 3.20
!D34
assign (resid 34 and name ha  ) (resid 37 and name hb# ) 1.80 0.00 3.20
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assign (resid 35 and name ha  ) (resid 35 and name hd# ) 1.80 0.00 2.20
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!I36
assign (resid 36 and name ha  ) (resid 36 and name hg1# ) 1.80 0.00 2.20
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assign (resid 36 and name ha  ) (resid 36 and name hd1# ) 1.80 0.00 2.20
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!A37
assign (resid 37 and name ha  ) (resid 38 and name hd1 ) 1.80 0.00 1.20
assign (resid 37 and name ha  ) (resid 38 and name hd2 ) 1.80 0.00 1.20
assign (resid 37 and name ha  ) (resid 40 and name hd# ) 1.80 0.00 2.20
assign (resid 37 and name hb# ) (resid 38 and name ha  ) 1.80 0.00 4.20
assign (resid 37 and name hb# ) (resid 38 and name hd1 ) 1.80 0.00 3.20
assign (resid 37 and name hb# ) (resid 38 and name hd2 ) 1.80 0.00 3.20
assign (resid 37 and name hb# ) (resid 38 and name hd# ) 1.80 0.00 2.20
assign (resid 37 and name hb# ) (resid 40 and name hb1 ) 1.80 0.00 3.20
assign (resid 37 and name hb# ) (resid 40 and name hb2 ) 1.80 0.00 3.20
assign (resid 37 and name hb# ) (resid 40 and name hb# ) 1.80 0.00 1.70
assign (resid 37 and name hb# ) (resid 40 and name hd# ) 1.80 0.00 1.20
assign (resid 37 and name hb# ) (resid 40 and name he# ) 1.80 0.00 2.20
!P38
assign (resid 38 and name ha  ) (resid 38 and name hd1 ) 1.80 0.00 2.70
assign (resid 38 and name ha  ) (resid 38 and name hd2 ) 1.80 0.00 2.70
!G39
assign (resid 39 and name ha# ) (resid 42 and name hb# ) 1.80 0.00 2.70
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!Y40
assign (resid 40 and name ha  ) (resid 40 and name hd1  ) 1.80 0.00 2.20
assign (resid 40 and name ha  ) (resid 40 and name hd2  ) 1.80 0.00 2.20
assign (resid 40 and name ha  ) (resid 43 and name hb   ) 1.80 0.00 3.20
assign (resid 40 and name ha  ) (resid 43 and name hg2# ) 1.80 0.00 2.20
assign (resid 40 and name ha  ) (resid 82 and name hb# ) 1.80 0.00 3.20
assign (resid 40 and name ha  ) (resid 82 and name he# ) 1.80 0.00 3.20
assign (resid 40 and name hb1 ) (resid 40 and name hd# ) 1.80 0.00 2.20
assign (resid 40 and name hb2 ) (resid 40 and name hd# ) 1.80 0.00 2.20
assign (resid 40 and name hb# ) (resid 41 and name ha  ) 1.80 0.00 3.20
assign (resid 40 and name hb# ) (resid 47 and name hd# ) 1.80 0.00 3.20
assign (resid 40 and name hd# ) (resid 75 and name hg# ) 1.80 0.00 2.20
assign (resid 40 and name hd# ) (resid 44 and name hg2# ) 1.80 0.00 2.20
assign (resid 40 and name hd# ) (resid 47 and name hb# ) 1.80 0.00 2.70
assign (resid 40 and name he# ) (resid 44 and name hd1# ) 1.80 0.00 4.20
assign (resid 40 and name he# ) (resid 47 and name ha  ) 1.80 0.00 3.20
assign (resid 40 and name he# ) (resid 47 and name hb1 ) 1.80 0.00 2.70
assign (resid 40 and name he# ) (resid 47 and name hb2 ) 1.80 0.00 2.70
assign (resid 40 and name hd# ) (resid 47 and name hg1 ) 1.80 0.00 3.70
assign (resid 40 and name hd# ) (resid 47 and name hg2 ) 1.80 0.00 3.70
assign (resid 40 and name hd# ) (resid 47 and name hg# ) 1.80 0.00 2.20
!S41
assign (resid 41 and name ha  ) (resid 45 and name ha  ) 1.80 0.00 2.20
assign (resid 41 and name ha  ) (resid 45 and name hg# ) 1.80 0.00 3.20
!M42
!I43
assign (resid 43 and name ha   ) (resid 43 and name hg2# ) 1.80 0.00 2.20
assign (resid 43 and name ha   ) (resid 43 and name hd1# ) 1.80 0.00 2.70
assign (resid 43 and name hb#  ) (resid 82 and name hd# ) 1.80 0.00 2.70
assign (resid 43 and name hg1# ) (resid 82 and name hd# ) 1.80 0.00 2.70
assign (resid 43 and name hg2# ) (resid 82 and name ha  ) 1.80 0.00 3.20
assign (resid 43 and name hg2# ) (resid 82 and name hd# ) 1.80 0.00 1.70
assign (resid 43 and name hd1# ) (resid 82 and name ha  ) 1.80 0.00 3.20
assign (resid 43 and name hd1# ) (resid 82 and name hd# ) 1.80 0.00 2.20
!I44
assign (resid 44 and name ha   ) (resid 44 and name hg2# ) 1.80 0.00 1.20
assign (resid 44 and name ha   ) (resid 44 and name hd1# ) 1.80 0.00 1.20
assign (resid 44 and name hg2# ) (resid 46 and name ha  ) 1.80 0.00 3.70
assign (resid 44 and name hg2# ) (resid 47 and name ha  ) 1.80 0.00 2.20
assign (resid 44 and name hg2# ) (resid 47 and name hb# ) 1.80 0.00 1.20
assign (resid 44 and name hg2# ) (resid 47 and name hg1 ) 1.80 0.00 2.70
assign (resid 44 and name hg2# ) (resid 47 and name hg2 ) 1.80 0.00 2.70
assign (resid 44 and name hg2# ) (resid 47 and name hg# ) 1.80 0.00 1.20
assign (resid 44 and name hg2# ) (resid 47 and name hd1 ) 1.80 0.00 2.70
assign (resid 44 and name hg2# ) (resid 47 and name hd2 ) 1.80 0.00 2.70
assign (resid 44 and name hg2# ) (resid 47 and name hd# ) 1.80 0.00 1.20
assign (resid 44 and name hg2# ) (resid 78 and name ha  ) 1.80 0.00 3.20
assign (resid 44 and name hg2# ) (resid 78 and name hb# ) 1.80 0.00 2.20
assign (resid 44 and name hd1# ) (resid 47 and name ha  ) 1.80 0.00 3.20
assign (resid 44 and name hd1# ) (resid 78 and name hb# ) 1.80 0.00 1.20
assign (resid 44 and name hd1# ) (resid 78 and name ha  ) 1.80 0.00 1.20
assign (resid 44 and name hd1# ) (resid 81 and name hb  ) 1.80 0.00 3.20
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!K45
assign (resid 45 and name ha   ) (resid 45 and name hd# ) 1.80 0.00 3.20
assign (resid 45 and name ha   ) (resid 45 and name he# ) 1.80 0.00 4.20
assign (resid 45 and name ha   ) (resid 46 and name ha  ) 1.80 0.00 3.20
assign (resid 45 and name ha   ) (resid 47 and name hd# ) 1.80 0.00 3.20
assign (resid 45 and name hb#  ) (resid 46 and name ha  ) 1.80 0.00 3.20
assign (resid 45 and name hg#  ) (resid 46 and name hd# ) 1.80 0.00 4.20
!H46
assign (resid 46 and name ha  ) (resid 46 and name hd# ) 1.80 0.00 3.20
assign (resid 46 and name ha  ) (resid 47 and name ha  ) 1.80 0.00 3.20
assign (resid 46 and name ha  ) (resid 47 and name hg1 ) 1.80 0.00 3.20
assign (resid 46 and name ha  ) (resid 47 and name hg2 ) 1.80 0.00 3.20
assign (resid 46 and name ha  ) (resid 47 and name hd1 ) 1.80 0.00 1.20
assign (resid 46 and name ha  ) (resid 47 and name hd2 ) 1.80 0.00 1.20
assign (resid 46 and name ha  ) (resid 74 and name hd* ) 1.80 0.00 4.20
assign (resid 46 and name hb# ) (resid 74 and name hd1# ) 1.80 0.00 2.20
assign (resid 46 and name hb# ) (resid 74 and name hd2# ) 1.80 0.00 2.20
!P47
assign (resid 47 and name ha  ) (resid 74 and name hb# ) 1.80 0.00 2.20
assign (resid 47 and name ha  ) (resid 78 and name hb1 ) 1.80 0.00 2.20
assign (resid 47 and name ha  ) (resid 78 and name hb2 ) 1.80 0.00 2.20
assign (resid 47 and name hb# ) (resid 75 and name ha  ) 1.80 0.00 2.20
!M48
assign (resid 48 and name ha  ) (resid 48 and name he# ) 1.80 0.00 2.20
assign (resid 48 and name ha  ) (resid 52 and name hb  ) 1.80 0.00 1.70
assign (resid 48 and name ha  ) (resid 52 and name hg2# ) 1.80 0.00 3.20
assign (resid 48 and name hb# ) (resid 74 and name hb# ) 1.80 0.00 3.20
assign (resid 48 and name hb# ) (resid 74 and name hd* ) 1.80 0.00 3.20
assign (resid 48 and name he# ) (resid 52 and name hg2# ) 1.80 0.00 2.20
assign (resid 48 and name he# ) (resid 53 and name ha  ) 1.80 0.00 2.20
assign (resid 48 and name he# ) (resid 53 and name hb# ) 1.80 0.00 3.20
assign (resid 48 and name he# ) (resid 74 and name hd* ) 1.80 0.00 4.20
!D49
assign (resid 49 and name ha  ) (resid 75 and name ha  ) 1.80 0.00 4.20
assign (resid 49 and name ha  ) (resid 75 and name hb# ) 1.80 0.00 3.20
assign (resid 49 and name ha  ) (resid 75 and name hg# ) 1.80 0.00 2.20
assign (resid 49 and name ha  ) (resid 75 and name he# ) 1.80 0.00 2.70
assign (resid 49 and name hb# ) (resid 51 and name hb# ) 1.80 0.00 3.20
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!F50
assign (resid 50 and name ha  ) (resid 50 and name hd# ) 1.80 0.00 2.20
assign (resid 50 and name ha  ) (resid 53 and name hb# ) 1.80 0.00 2.20
assign (resid 50 and name ha  ) (resid 53 and name he# ) 1.80 0.00 3.20
assign (resid 50 and name ha  ) (resid 72 and name hd# ) 1.80 0.00 3.20
assign (resid 50 and name hb# ) (resid 53 and name he# ) 1.80 0.00 3.20
assign (resid 50 and name hd# ) (resid 53 and name he# ) 1.80 0.00 2.70
!S51
assign (resid 51 and name ha  ) (resid 54 and name hb# ) 1.80 0.00 2.20
!T52
assign (resid 52 and name ha  ) (resid 52 and name hg2# ) 1.80 0.00 1.20
assign (resid 52 and name ha  ) (resid 55 and name hb# ) 1.80 0.00 2.20
assign (resid 52 and name hg2# ) (resid 55 and name hb# ) 1.80 0.00 4.20
!M53
assign (resid 53 and name ha  ) (resid 53 and name he# ) 1.80 0.00 3.20
assign (resid 53 and name ha  ) (resid 56 and name hb# ) 1.80 0.00 2.20
assign (resid 53 and name ha  ) (resid 62 and name he# ) 1.80 0.00 1.70
assign (resid 53 and name he# ) (resid 57 and name hd1# ) 1.80 0.00 3.20
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assign (resid 53 and name he# ) (resid 72 and name ha  ) 1.80 0.00 2.20
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!K54
assign (resid 54 and name ha  ) (resid 57 and name hb  ) 1.80 0.00 2.20
!E55
assign (resid 55 and name ha  ) (resid 58 and name hb# ) 1.80 0.00 2.20
!K56
assign (resid 56 and name ha  ) (resid 59 and name hb# ) 1.80 0.00 2.70
assign (resid 56 and name ha  ) (resid 61 and name hb1 ) 1.80 0.00 2.20
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!I57
assign (resid 57 and name ha  ) (resid 57 and name hg2# ) 1.80 0.00 2.20
assign (resid 57 and name ha  ) (resid 57 and name hd1# ) 1.80 0.00 2.70
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!K58
assign (resid 58 and name ha  ) (resid 58 and name hd# ) 1.80 0.00 2.70
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assign (resid 59 and name hb# ) (resid 61 and name hb# ) 1.80 0.00 2.70
!N60
!D61
assign (resid 61 and name hb# ) (resid 62 and name ha  ) 1.80 0.00 3.20
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assign (resid 62 and name ha  ) (resid 62 and name hd# ) 1.80 0.00 1.20
assign (resid 62 and name ha  ) (resid 67 and name hb# ) 1.80 0.00 2.20
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!Q63
assign (resid 63 and name ha  ) (resid 68 and name hd* ) 1.80 0.00 3.20
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assign (resid 64 and name ha  ) (resid 65 and name hg2# ) 1.80 0.00 2.70
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assign (resid 65 and name ha  ) (resid 65 and name hg2# ) 1.80 0.00 3.20
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assign (resid 66 and name ha  ) (resid 69 and name hb1 ) 1.80 0.00 2.20
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assign (resid 67 and name ha  ) (resid 70 and name hb# ) 1.80 0.00 2.20
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assign (resid 68 and name ha  ) (resid 68 and name hd1# ) 1.80 0.00 3.20
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assign (resid 69 and name ha  ) (resid 72 and name hb# ) 1.80 0.00 2.20
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!D70
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!N71
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assign (resid 71 and name ha  ) (resid 74 and name hd1# ) 1.80 0.00 4.20
assign (resid 71 and name ha  ) (resid 74 and name hd2# ) 1.80 0.00 4.20
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assign (resid 72 and name ha  ) (resid 75 and name hb# ) 1.80 0.00 2.20
assign (resid 72 and name ha  ) (resid 75 and name he# ) 1.80 0.00 4.20
assign (resid 72 and name hb# ) (resid 104 and name hd* ) 1.80 0.00 4.20
assign (resid 72 and name hd# ) (resid 73 and name ha  ) 1.80 0.00 3.20
assign (resid 72 and name he# or name hz ) (resid 96 and name hd* ) 1.80 0.00 3.20
assign (resid 72 and name he# ) (resid 97 and name ha  ) 1.80 0.00 2.20
!K73
assign (resid 73 and name ha  ) (resid 73 and name hg#  ) 1.80 0.00 2.20
assign (resid 73 and name ha  ) (resid 73 and name he#  ) 1.80 0.00 3.20
assign (resid 73 and name ha  ) (resid 76 and name hb#  ) 1.80 0.00 2.20
assign (resid 73 and name ha  ) (resid 97 and name hd*  ) 1.80 0.00 2.20
!L74
assign (resid 74 and name ha  ) (resid 74 and name hd1# ) 1.80 0.00 2.20
assign (resid 74 and name ha  ) (resid 77 and name hb  ) 1.80 0.00 2.20
assign (resid 74 and name hd* ) (resid 77 and name hb  ) 1.80 0.00 4.20
!M75
assign (resid 75 and name ha  ) (resid 75 and name he# ) 1.80 0.00 2.20
assign (resid 75 and name ha  ) (resid 78 and name hb# ) 1.80 0.00 2.20
!C76
assign (resid 76 and name ha  ) (resid 79 and name hb# ) 1.80 0.00 2.20
assign (resid 76 and name ha  ) (resid 80 and name hg# ) 1.80 0.00 3.20
assign (resid 76 and name ha  ) (resid 93 and name hb# ) 1.80 0.00 1.20
assign (resid 76 and name hb# ) (resid 97 and name hd*  ) 1.80 0.00 2.70
!T77
assign (resid 77 and name ha  ) (resid 77 and name hg2# ) 1.80 0.00 2.70
assign (resid 77 and name hg2# ) (resid 78 and name hb# ) 1.80 0.00 4.20
assign (resid 77 and name ha  ) (resid 80 and name hb# ) 1.80 0.00 2.20
assign (resid 77 and name ha  ) (resid 80 and name he# ) 1.80 0.00 3.20
assign (resid 77 and name ha  ) (resid 81 and name hd1# ) 1.80 0.00 4.20
assign (resid 77 and name hg2# ) (resid 80 and name he# ) 1.80 0.00 3.20
!N78
assign (resid 78 and name ha  ) (resid 81 and name hb  ) 1.80 0.00 2.20
assign (resid 78 and name ha  ) (resid 81 and name hg2# ) 1.80 0.00 2.20
!A79
assign (resid 79 and name ha  ) (resid 82 and name hb#  ) 1.80 0.00 3.20
assign (resid 79 and name hb# ) (resid 93 and name ha   ) 1.80 0.00 3.20
!M80
assign (resid 80 and name ha  ) (resid 80 and name he# ) 1.80 0.00 3.20
assign (resid 80 and name ha  ) (resid 83 and name hb# ) 1.80 0.00 1.20
assign (resid 80 and name ha  ) (resid 89 and name hb# ) 1.80 0.00 3.70
assign (resid 80 and name ha  ) (resid 90 and name ha  ) 1.80 0.00 2.20
assign (resid 80 and name ha  ) (resid 90 and name hb# ) 1.80 0.00 3.20
assign (resid 80 and name ha  ) (resid 90 and name hd# ) 1.80 0.00 2.20
assign (resid 80 and name ha  ) (resid 93 and name hb# ) 1.80 0.00 3.20
assign (resid 80 and name hb# ) (resid 90 and name ha  ) 1.80 0.00 3.20
assign (resid 80 and name hb# ) (resid 93 and name hb# ) 1.80 0.00 2.70
assign (resid 80 and name he# ) (resid 81 and name hd1# ) 1.80 0.00 3.20
assign (resid 80 and name he# ) (resid 90 and name he#  ) 1.80 0.00 3.20
!I81
assign (resid 81 and name ha  ) (resid 81 and name hg1# ) 1.80 0.00 3.20
assign (resid 81 and name ha  ) (resid 81 and name hg2# ) 1.80 0.00 2.20
!Y82
assign (resid 82 and name ha  ) (resid 82 and name hd# ) 1.80 0.00 1.70
assign (resid 82 and name ha  ) (resid 82 and name he# ) 1.80 0.00 3.20
!N83
assign (resid 83 and name ha  ) (resid 84 and name hg# ) 1.80 0.00 3.20
assign (resid 83 and name hb# ) (resid 89 and name hb# ) 1.80 0.00 1.70
!K84
assign (resid 84 and name ha  ) (resid 85 and name hd1 ) 1.80 0.00 1.70
assign (resid 84 and name ha  ) (resid 85 and name hd2 ) 1.80 0.00 1.70
!P85
assign (resid 85 and name ha  ) (resid 90 and name hb# ) 1.80 0.00 2.20
assign (resid 85 and name ha  ) (resid 90 and name hd# ) 1.80 0.00 3.20
!E86
assign (resid 86 and name hb# ) (resid 87 and name hg2# ) 1.80 0.00 3.20
!T87
assign (resid 87 and name ha  ) (resid 87 and name hg2# ) 1.80 0.00 2.20
assign (resid 87 and name hb  ) (resid 88 and name hg2# ) 1.80 0.00 4.20
assign (resid 87 and name ha  ) (resid 88 and name hd1# ) 1.80 0.00 3.20
assign (resid 87 and name hg2# ) (resid 89 and name hb# ) 1.80 0.00 4.20
assign (resid 87 and name hg2# ) (resid 89 and name hd# ) 1.80 0.00 3.20
!I88
assign (resid 88 and name ha  ) (resid 88 and name hg2# ) 1.80 0.00 2.70
assign (resid 88 and name ha  ) (resid 88 and name hd1# ) 1.80 0.00 2.70
assign (resid 88 and name hg2# ) (resid 92 and name hb# ) 1.80 0.00 3.20
assign (resid 88 and name hd1# ) (resid 89 and name ha  ) 1.80 0.00 4.20
!Y89
assign (resid 89 and name ha  ) (resid 89 and name hd# ) 1.80 0.00 2.20
assign (resid 89 and name ha  ) (resid 92 and name hb# ) 1.80 0.00 2.20
assign (resid 89 and name hb1 ) (resid 89 and name hd# ) 1.80 0.00 1.20
assign (resid 89 and name hb2 ) (resid 89 and name hd# ) 1.80 0.00 1.20
!Y90
assign (resid 90 and name ha  ) (resid 90 and name hd# ) 1.80 0.00 2.20
assign (resid 90 and name ha  ) (resid 93 and name hb# ) 1.80 0.00 2.20
assign (resid 90 and name hb# ) (resid 90 and name hd# ) 1.80 0.00 1.20
assign (resid 90 and name hd# ) (resid 91 and name ha  ) 1.80 0.00 2.70
!K91
assign (resid 91 and name ha  ) (resid 94 and name hb# ) 1.80 0.00 2.20
!A92
assign (resid 92 and name ha  ) (resid 95 and name hb# ) 1.80 0.00 2.20
!A93
assign (resid 93 and name ha  ) (resid 96 and name hb# ) 1.80 0.00 2.20
assign (resid 93 and name ha  ) (resid 96 and name hd2# ) 1.80 0.00 3.20
assign (resid 93 and name hb# ) (resid 97 and name hd* ) 1.80 0.00 4.20
!K94
assign (resid 94 and name ha  ) (resid 97 and name hb# ) 1.80 0.00 2.20
!K95
assign (resid 95 and name ha  ) (resid 98 and name hb# ) 1.80 0.00 2.20
!L96
assign (resid 96 and name ha  ) (resid 99 and name hb# ) 1.80 0.00 2.20
!L97
assign (resid 97 and name ha  ) (resid 97 and name hd1# ) 1.80 0.00 2.20
assign (resid 97 and name hd* ) (resid 98 and name ha  ) 1.80 0.00 3.20
assign (resid 97 and name hd* ) (resid 98 and name hb# ) 1.80 0.00 3.20
assign (resid 97 and name hd* ) (resid 101 and name hg# ) 1.80 0.00 3.20
!H98
assign (resid 98 and name ha  ) (resid 98 and name hd# ) 1.80 0.00 2.20
assign (resid 98 and name ha  ) (resid 101 and name hb# ) 1.80 0.00 2.20
!S99
assign (resid 99 and name ha  ) (resid 102 and name hb# ) 1.80 0.00 2.20
!G100
assign (resid 100 and name ha# ) (resid 103 and name hb# ) 1.80 0.00 2.70
assign (resid 100 and name ha1 ) (resid 103 and name hg2# ) 1.80 0.00 4.20
assign (resid 100 and name ha2 ) (resid 103 and name hg2# ) 1.80 0.00 4.20
assign (resid 100 and name ha# ) (resid 103 and name hd1# ) 1.80 0.00 2.20
!M101
assign (resid 101 and name ha  ) (resid 104 and name hb1 ) 1.80 0.00 2.20
assign (resid 101 and name ha  ) (resid 104 and name hb2 ) 1.80 0.00 2.20
assign (resid 101 and name ha  ) (resid 104 and name hd1# ) 1.80 0.00 2.70
assign (resid 101 and name ha  ) (resid 104 and name hd2# ) 1.80 0.00 3.70
assign (resid 101 and name hg# ) (resid 104 and name hd* ) 1.80 0.00 4.20
!K102
!I103
assign (resid 103 and name ha  ) (resid 103 and name hg1# ) 1.80 0.00 2.70
assign (resid 103 and name ha  ) (resid 103 and name hg2# ) 1.80 0.00 1.70
assign (resid 103 and name ha  ) (resid 103 and name hd1# ) 1.80 0.00 2.70
!L104
assign (resid 104 and name ha  ) (resid 104 and name hd*  ) 1.80 0.00 2.20
!S105
!Q106
assign (resid 106 and name ha  ) (resid 109 and name hb# ) 1.80 0.00 2.20
!E107
!R108




  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   0          1HT       MET   0 -11.699 -28.521  -9.181
    2   2H    MET   0          2HT       MET   0 -10.960 -27.083  -9.758
    3   3H    MET   0          3HT       MET   0 -12.194 -26.999  -8.570
    4    HA   MET   0           HA       MET   0 -10.867 -27.913  -6.943
    5   1HB   MET   0          2HB       MET   0  -9.451 -28.957  -9.288
    6   2HB   MET   0          1HB       MET   0  -8.368 -28.389  -8.026
    7   1HG   MET   0          2HG       MET   0 -10.530 -29.999  -6.963
    8   2HG   MET   0          1HG       MET   0  -9.582 -30.861  -8.173
    9   1HE   MET   0          1HE       MET   0  -6.614 -31.828  -7.054
   10   2HE   MET   0          2HE       MET   0  -8.213 -32.254  -7.661
   11   3HE   MET   0          3HE       MET   0  -7.765 -32.653  -6.004
   12    H    GLU   1           H        GLU   1  -9.433 -26.689  -5.719
   13    HA   GLU   1           HA       GLU   1  -8.276 -24.872  -5.034
   14   1HB   GLU   1          2HB       GLU   1  -7.401 -25.153  -7.848
   15   2HB   GLU   1          1HB       GLU   1  -7.087 -23.604  -7.079
   16   1HG   GLU   1          2HG       GLU   1  -6.167 -25.158  -5.149
   17   2HG   GLU   1          1HG       GLU   1  -5.963 -26.285  -6.491
   18    H    GLU   2           H        GLU   2  -9.555 -23.368  -4.273
   19    HA   GLU   2           HA       GLU   2 -10.251 -21.073  -5.784
   20   1HB   GLU   2          2HB       GLU   2 -12.033 -23.003  -6.297
   21   2HB   GLU   2          1HB       GLU   2 -12.735 -22.387  -4.808
   22   1HG   GLU   2          2HG       GLU   2 -13.732 -20.824  -6.009
   23   2HG   GLU   2          1HG       GLU   2 -12.145 -20.121  -6.313
   24    H    VAL   3           H        VAL   3 -11.146 -23.025  -2.948
   25    HA   VAL   3           HA       VAL   3 -11.871 -20.824  -1.313
   26    HB   VAL   3           HB       VAL   3 -11.648 -22.449   0.585
   27   1HG1  VAL   3          1HG1      VAL   3 -13.489 -23.978  -0.342
   28   2HG1  VAL   3          2HG1      VAL   3 -13.343 -23.027  -1.819
   29   3HG1  VAL   3          3HG1      VAL   3 -13.791 -22.240  -0.305
   30   1HG2  VAL   3          1HG2      VAL   3  -9.921 -23.806  -0.970
   31   2HG2  VAL   3          2HG2      VAL   3 -11.399 -24.713  -1.295
   32   3HG2  VAL   3          3HG2      VAL   3 -10.816 -24.539   0.360
   33    H    GLU   4           H        GLU   4  -8.794 -22.063  -2.219
   34    HA   GLU   4           HA       GLU   4  -7.374 -21.297   0.134
   35   1HB   GLU   4          2HB       GLU   4  -6.633 -22.215  -2.596
   36   2HB   GLU   4          1HB       GLU   4  -5.415 -21.338  -1.680
   37   1HG   GLU   4          2HG       GLU   4  -6.860 -23.631  -0.430
   38   2HG   GLU   4          1HG       GLU   4  -5.523 -23.919  -1.542
   39    H    GLN   5           H        GLN   5  -8.730 -19.471  -2.390
   40    HA   GLN   5           HA       GLN   5  -6.782 -17.359  -2.402
   41   1HB   GLN   5          2HB       GLN   5  -9.533 -17.686  -3.569
   42   2HB   GLN   5          1HB       GLN   5  -8.704 -16.136  -3.613
   43   1HG   GLN   5          2HG       GLN   5  -7.825 -16.824  -5.530
   44   2HG   GLN   5          1HG       GLN   5  -6.797 -17.869  -4.550
   45   1HE2  GLN   5          1HE2      GLN   5  -7.028 -20.026  -4.682
   46   2HE2  GLN   5          2HE2      GLN   5  -8.200 -20.824  -5.669
   47    H    THR   6           H        THR   6  -9.792 -18.024  -0.716
   48    HA   THR   6           HA       THR   6 -10.334 -15.463   0.260
   49    HB   THR   6           HB       THR   6 -11.020 -17.473   2.218
   50    HG1  THR   6           1HG      THR   6 -11.939 -18.060  -0.395
   51   1HG2  THR   6          1HG2      THR   6 -12.905 -16.330   2.244
   52   2HG2  THR   6          2HG2      THR   6 -13.204 -16.673   0.540
   53   3HG2  THR   6          3HG2      THR   6 -12.227 -15.280   1.002
   54    HA   PRO   7           HA       PRO   7  -7.824 -16.840   4.315
   55   1HB   PRO   7          2HB       PRO   7  -5.843 -18.534   2.867
   56   2HB   PRO   7          1HB       PRO   7  -6.500 -18.714   4.498
   57   1HG   PRO   7          2HG       PRO   7  -7.334 -20.281   2.518
   58   2HG   PRO   7          1HG       PRO   7  -8.467 -19.680   3.743
   59   1HD   PRO   7          2HD       PRO   7  -8.084 -18.804   0.919
   60   2HD   PRO   7          1HD       PRO   7  -9.572 -18.894   1.884
   61    H    LEU   8           H        LEU   8  -6.126 -16.738   1.175
   62    HA   LEU   8           HA       LEU   8  -3.892 -15.268   2.007
   63   1HB   LEU   8          2HB       LEU   8  -4.895 -16.284  -0.421
   64   2HB   LEU   8          1HB       LEU   8  -4.666 -14.566  -0.684
   65    HG   LEU   8           HG       LEU   8  -2.693 -15.787  -1.378
   66   1HD1  LEU   8          1HD1      LEU   8  -2.008 -13.715  -0.687
   67   2HD1  LEU   8          2HD1      LEU   8  -1.047 -14.744   0.373
   68   3HD1  LEU   8          3HD1      LEU   8  -2.514 -13.978   0.981
   69   1HD2  LEU   8          1HD2      LEU   8  -1.985 -16.627   1.367
   70   2HD2  LEU   8          2HD2      LEU   8  -1.631 -17.387  -0.184
   71   3HD2  LEU   8          3HD2      LEU   8  -3.228 -17.567   0.541
   72    H    GLN   9           H        GLN   9  -7.051 -14.198   0.801
   73    HA   GLN   9           HA       GLN   9  -6.513 -11.450   0.644
   74   1HB   GLN   9          2HB       GLN   9  -8.559 -12.742  -0.208
   75   2HB   GLN   9          1HB       GLN   9  -9.190 -12.590   1.426
   76   1HG   GLN   9          2HG       GLN   9  -8.759 -10.069   1.119
   77   2HG   GLN   9          1HG       GLN   9  -8.668 -10.455  -0.599
   78   1HE2  GLN   9          1HE2      GLN   9 -10.529 -11.439  -1.591
   79   2HE2  GLN   9          2HE2      GLN   9 -12.104 -11.123  -0.959
   80    H    GLU  10           H        GLU  10  -7.536 -13.472   3.354
   81    HA   GLU  10           HA       GLU  10  -8.143 -11.430   5.181
   82   1HB   GLU  10          2HB       GLU  10  -8.663 -13.892   5.421
   83   2HB   GLU  10          1HB       GLU  10  -6.982 -14.130   5.878
   84   1HG   GLU  10          2HG       GLU  10  -7.550 -12.251   7.635
   85   2HG   GLU  10          1HG       GLU  10  -9.194 -12.830   7.372
   86    H    ALA  11           H        ALA  11  -5.100 -13.182   4.587
   87    HA   ALA  11           HA       ALA  11  -3.569 -11.930   6.584
   88   1HB   ALA  11          1HB       ALA  11  -2.439 -13.737   5.805
   89   2HB   ALA  11          2HB       ALA  11  -1.670 -12.512   4.796
   90   3HB   ALA  11          3HB       ALA  11  -2.976 -13.499   4.142
   91    H    LEU  12           H        LEU  12  -3.982 -11.128   3.141
   92    HA   LEU  12           HA       LEU  12  -2.261  -8.911   3.097
   93   1HB   LEU  12          2HB       LEU  12  -4.418  -9.966   1.380
   94   2HB   LEU  12          1HB       LEU  12  -4.091  -8.251   1.213
   95    HG   LEU  12           HG       LEU  12  -1.635  -8.926   0.895
   96   1HD1  LEU  12          1HD1      LEU  12  -1.542 -11.260  -0.199
   97   2HD1  LEU  12          2HD1      LEU  12  -3.002 -11.582   0.732
   98   3HD1  LEU  12          3HD1      LEU  12  -1.511 -11.142   1.559
   99   1HD2  LEU  12          1HD2      LEU  12  -3.796  -8.657  -0.881
  100   2HD2  LEU  12          2HD2      LEU  12  -2.838 -10.018  -1.464
  101   3HD2  LEU  12          3HD2      LEU  12  -2.080  -8.446  -1.227
  102    H    ASN  13           H        ASN  13  -5.730  -9.156   3.814
  103    HA   ASN  13           HA       ASN  13  -6.290  -6.418   4.007
  104   1HB   ASN  13          2HB       ASN  13  -7.558  -8.917   4.972
  105   2HB   ASN  13          1HB       ASN  13  -8.004  -7.447   5.832
  106   1HD2  ASN  13          1HD2      ASN  13  -9.391  -9.311   3.865
  107   2HD2  ASN  13          2HD2      ASN  13 -10.071  -8.238   2.695
  108    H    GLN  14           H        GLN  14  -4.912  -8.684   6.322
  109    HA   GLN  14           HA       GLN  14  -5.040  -7.026   8.603
  110   1HB   GLN  14          2HB       GLN  14  -3.922  -9.585   7.900
  111   2HB   GLN  14          1HB       GLN  14  -2.746  -8.660   8.821
  112   1HG   GLN  14          2HG       GLN  14  -3.934  -8.785  10.726
  113   2HG   GLN  14          1HG       GLN  14  -5.484  -8.658   9.893
  114   1HE2  GLN  14          1HE2      GLN  14  -6.694 -10.403  10.008
  115   2HE2  GLN  14          2HE2      GLN  14  -6.131 -12.030  10.167
  116    H    LEU  15           H        LEU  15  -2.524  -7.517   6.144
  117    HA   LEU  15           HA       LEU  15  -0.550  -5.876   7.282
  118   1HB   LEU  15          2HB       LEU  15  -0.967  -6.161   4.315
  119   2HB   LEU  15          1HB       LEU  15   0.536  -5.902   5.179
  120    HG   LEU  15           HG       LEU  15  -1.083  -8.446   5.073
  121   1HD1  LEU  15          1HD1      LEU  15   1.772  -8.362   4.357
  122   2HD1  LEU  15          2HD1      LEU  15   0.672  -7.530   3.259
  123   3HD1  LEU  15          3HD1      LEU  15   0.435  -9.240   3.616
  124   1HD2  LEU  15          1HD2      LEU  15   0.376  -9.447   6.606
  125   2HD2  LEU  15          2HD2      LEU  15  -0.015  -7.890   7.335
  126   3HD2  LEU  15          3HD2      LEU  15   1.529  -8.118   6.515
  127    H    MET  16           H        MET  16  -3.141  -5.121   4.969
  128    HA   MET  16           HA       MET  16  -2.451  -2.393   4.638
  129   1HB   MET  16          2HB       MET  16  -4.600  -4.166   3.799
  130   2HB   MET  16          1HB       MET  16  -5.195  -2.559   4.192
  131   1HG   MET  16          2HG       MET  16  -4.701  -2.606   1.873
  132   2HG   MET  16          1HG       MET  16  -3.471  -1.621   2.662
  133   1HE   MET  16          1HE       MET  16  -0.822  -2.986   3.295
  134   2HE   MET  16          2HE       MET  16  -1.299  -1.680   2.207
  135   3HE   MET  16          3HE       MET  16  -0.289  -2.999   1.614
  136    H    ARG  17           H        ARG  17  -4.713  -4.047   6.822
  137    HA   ARG  17           HA       ARG  17  -5.832  -1.718   7.961
  138   1HB   ARG  17          2HB       ARG  17  -5.675  -4.593   8.756
  139   2HB   ARG  17          1HB       ARG  17  -6.186  -3.419   9.961
  140   1HG   ARG  17          2HG       ARG  17  -7.697  -2.764   7.747
  141   2HG   ARG  17          1HG       ARG  17  -7.636  -4.527   7.706
  142   1HD   ARG  17          2HD       ARG  17  -8.099  -3.512  10.385
  143   2HD   ARG  17          1HD       ARG  17  -9.326  -2.959   9.249
  144    HE   ARG  17           HE       ARG  17  -8.944  -5.629  10.223
  145   1HH1  ARG  17          1HH1      ARG  17 -10.203  -3.727   7.567
  146   2HH1  ARG  17          2HH1      ARG  17 -11.327  -4.943   7.066
  147   1HH2  ARG  17          1HH2      ARG  17 -10.425  -7.232   9.555
  148   2HH2  ARG  17          2HH2      ARG  17 -11.455  -6.935   8.195
  149    H    GLN  18           H        GLN  18  -3.113  -3.771   8.993
  150    HA   GLN  18           HA       GLN  18  -2.520  -2.266  11.328
  151   1HB   GLN  18          2HB       GLN  18  -1.707  -4.678  10.362
  152   2HB   GLN  18          1HB       GLN  18  -0.289  -3.695  10.028
  153   1HG   GLN  18          2HG       GLN  18  -0.631  -2.946  12.525
  154   2HG   GLN  18          1HG       GLN  18  -1.482  -4.486  12.629
  155   1HE2  GLN  18          1HE2      GLN  18  -0.013  -6.084  10.986
  156   2HE2  GLN  18          2HE2      GLN  18   1.587  -6.261  11.611
  157    H    LEU  19           H        LEU  19  -1.336  -2.191   8.002
  158    HA   LEU  19           HA       LEU  19   0.718  -0.292   8.407
  159   1HB   LEU  19          2HB       LEU  19   0.928  -1.500   6.443
  160   2HB   LEU  19          1HB       LEU  19  -0.768  -1.346   6.039
  161    HG   LEU  19           HG       LEU  19   0.766   1.176   6.024
  162   1HD1  LEU  19          1HD1      LEU  19   2.495   0.138   4.961
  163   2HD1  LEU  19          2HD1      LEU  19   1.443   0.449   3.581
  164   3HD1  LEU  19          3HD1      LEU  19   1.478  -1.152   4.320
  165   1HD2  LEU  19          1HD2      LEU  19  -1.682   0.227   5.085
  166   2HD2  LEU  19          2HD2      LEU  19  -0.697   0.467   3.641
  167   3HD2  LEU  19          3HD2      LEU  19  -0.955   1.801   4.764
  168    H    GLN  20           H        GLN  20  -2.683   0.035   7.432
  169    HA   GLN  20           HA       GLN  20  -2.604   2.833   6.999
  170   1HB   GLN  20          2HB       GLN  20  -4.688   0.754   7.195
  171   2HB   GLN  20          1HB       GLN  20  -5.213   2.366   7.654
  172   1HG   GLN  20          2HG       GLN  20  -4.681   3.247   5.525
  173   2HG   GLN  20          1HG       GLN  20  -3.806   1.789   5.065
  174   1HE2  GLN  20          1HE2      GLN  20  -4.879   0.201   4.062
  175   2HE2  GLN  20          2HE2      GLN  20  -6.585   0.165   3.807
  176    H    ARG  21           H        ARG  21  -3.248   0.843   9.834
  177    HA   ARG  21           HA       ARG  21  -4.246   2.838  11.545
  178   1HB   ARG  21          2HB       ARG  21  -3.317   0.088  11.774
  179   2HB   ARG  21          1HB       ARG  21  -2.908   1.045  13.189
  180   1HG   ARG  21          2HG       ARG  21  -5.666   1.368  12.234
  181   2HG   ARG  21          1HG       ARG  21  -5.256  -0.243  12.823
  182   1HD   ARG  21          2HD       ARG  21  -4.148   1.362  14.740
  183   2HD   ARG  21          1HD       ARG  21  -5.584   2.276  14.287
  184    HE   ARG  21           HE       ARG  21  -6.878   0.681  15.292
  185   1HH1  ARG  21          1HH1      ARG  21  -3.661  -0.629  14.838
  186   2HH1  ARG  21          2HH1      ARG  21  -3.970  -2.047  15.782
  187   1HH2  ARG  21          1HH2      ARG  21  -7.280  -1.193  16.535
  188   2HH2  ARG  21          2HH2      ARG  21  -6.026  -2.367  16.745
  189    H    LYS  22           H        LYS  22  -1.057   2.352  10.370
  190    HA   LYS  22           HA       LYS  22   0.609   3.103  12.402
  191   1HB   LYS  22          2HB       LYS  22   0.991   2.630   9.803
  192   2HB   LYS  22          1HB       LYS  22   1.089   4.383   9.755
  193   1HG   LYS  22          2HG       LYS  22   2.693   2.987  11.817
  194   2HG   LYS  22          1HG       LYS  22   3.207   2.838  10.137
  195   1HD   LYS  22          2HD       LYS  22   3.860   4.989  10.010
  196   2HD   LYS  22          1HD       LYS  22   2.506   5.564  10.984
  197   1HE   LYS  22          2HE       LYS  22   3.875   4.276  12.884
  198   2HE   LYS  22          1HE       LYS  22   5.212   4.686  11.809
  199   1HZ   LYS  22          1HZ       LYS  22   4.916   6.417  13.425
  200   2HZ   LYS  22          2HZ       LYS  22   3.280   6.584  13.031
  201   3HZ   LYS  22          3HZ       LYS  22   4.468   7.018  11.908
  202    H    ASP  23           H        ASP  23  -0.421   5.540   9.984
  203    HA   ASP  23           HA       ASP  23  -1.626   7.391  11.552
  204   1HB   ASP  23          2HB       ASP  23   1.058   7.202  12.396
  205   2HB   ASP  23          1HB       ASP  23   0.904   8.731  11.539
  206    HA   PRO  24           HA       PRO  24   0.510   9.791   7.863
  207   1HB   PRO  24          2HB       PRO  24   1.841   7.509   6.523
  208   2HB   PRO  24          1HB       PRO  24   2.428   9.150   6.797
  209   1HG   PRO  24          2HG       PRO  24   3.388   7.098   8.207
  210   2HG   PRO  24          1HG       PRO  24   3.124   8.683   8.956
  211   1HD   PRO  24          2HD       PRO  24   1.465   6.206   9.143
  212   2HD   PRO  24          1HD       PRO  24   1.885   7.387  10.397
  213    H    SER  25           H        SER  25  -0.467   6.409   7.434
  214    HA   SER  25           HA       SER  25  -1.591   6.691   4.864
  215   1HB   SER  25          2HB       SER  25  -0.992   4.517   5.996
  216   2HB   SER  25          1HB       SER  25  -2.457   4.695   6.959
  217    HG   SER  25           HG       SER  25  -2.274   3.627   4.595
  218    H    ALA  26           H        ALA  26  -2.768   7.621   7.988
  219    HA   ALA  26           HA       ALA  26  -5.522   7.508   7.657
  220   1HB   ALA  26          1HB       ALA  26  -5.669   8.816   9.511
  221   2HB   ALA  26          2HB       ALA  26  -4.407   9.923   8.968
  222   3HB   ALA  26          3HB       ALA  26  -3.972   8.353   9.644
  223    H    PHE  27           H        PHE  27  -3.198   9.783   6.332
  224    HA   PHE  27           HA       PHE  27  -5.227  11.581   5.339
  225   1HB   PHE  27          2HB       PHE  27  -2.252  11.472   4.809
  226   2HB   PHE  27          1HB       PHE  27  -3.328  12.761   4.283
  227    HD1  PHE  27           2HD      PHE  27  -4.991  13.264   6.589
  228    HD2  PHE  27           1HD      PHE  27  -0.841  12.346   6.403
  229    HE1  PHE  27           2HE      PHE  27  -4.642  14.430   8.727
  230    HE2  PHE  27           1HE      PHE  27  -0.484  13.508   8.541
  231    HZ   PHE  27           HZ       PHE  27  -2.385  14.554   9.705
  232    H    PHE  28           H        PHE  28  -3.309   8.909   4.098
  233    HA   PHE  28           HA       PHE  28  -4.428   9.342   1.415
  234   1HB   PHE  28          2HB       PHE  28  -2.228   7.440   2.254
  235   2HB   PHE  28          1HB       PHE  28  -2.721   7.811   0.607
  236    HD1  PHE  28           1HD      PHE  28  -2.855  10.615   0.388
  237    HD2  PHE  28           2HD      PHE  28  -0.156   8.292   2.720
  238    HE1  PHE  28           1HE      PHE  28  -1.217  12.448   0.312
  239    HE2  PHE  28           2HE      PHE  28   1.486  10.122   2.648
  240    HZ   PHE  28           HZ       PHE  28   0.957  12.203   1.442
  241    H    SER  29           H        SER  29  -5.903   8.210   3.763
  242    HA   SER  29           HA       SER  29  -6.299   5.427   3.029
  243   1HB   SER  29          2HB       SER  29  -6.233   6.080   5.413
  244   2HB   SER  29          1HB       SER  29  -7.662   7.083   5.169
  245    HG   SER  29           HG       SER  29  -7.439   4.337   5.399
  246    H    PHE  30           H        PHE  30  -7.161   7.897   1.366
  247    HA   PHE  30           HA       PHE  30  -9.724   6.794   0.580
  248   1HB   PHE  30          2HB       PHE  30  -9.489   9.230   2.110
  249   2HB   PHE  30          1HB       PHE  30 -10.124   9.588   0.510
  250    HD1  PHE  30           1HD      PHE  30 -10.658   7.451   3.493
  251    HD2  PHE  30           2HD      PHE  30 -12.366   9.177  -0.003
  252    HE1  PHE  30           1HE      PHE  30 -12.891   6.723   4.229
  253    HE2  PHE  30           2HE      PHE  30 -14.601   8.453   0.726
  254    HZ   PHE  30           HZ       PHE  30 -14.866   7.225   2.845
  255    HA   PRO  31           HA       PRO  31  -8.190   7.554  -3.495
  256   1HB   PRO  31          2HB       PRO  31 -10.539   8.401  -4.720
  257   2HB   PRO  31          1HB       PRO  31 -10.053   6.717  -4.501
  258   1HG   PRO  31          2HG       PRO  31 -11.924   8.382  -2.872
  259   2HG   PRO  31          1HG       PRO  31 -12.049   6.673  -3.331
  260   1HD   PRO  31          2HD       PRO  31 -11.293   7.396  -0.870
  261   2HD   PRO  31          1HD       PRO  31 -10.565   5.994  -1.680
  262    H    VAL  32           H        VAL  32  -6.877   9.275  -3.723
  263    HA   VAL  32           HA       VAL  32  -7.393  11.870  -2.897
  264    HB   VAL  32           HB       VAL  32  -5.599  12.525  -4.646
  265   1HG1  VAL  32          1HG1      VAL  32  -5.146  10.712  -2.292
  266   2HG1  VAL  32          2HG1      VAL  32  -5.052  12.472  -2.356
  267   3HG1  VAL  32          3HG1      VAL  32  -3.828  11.494  -3.166
  268   1HG2  VAL  32          1HG2      VAL  32  -6.097   9.929  -5.480
  269   2HG2  VAL  32          2HG2      VAL  32  -4.544   9.845  -4.650
  270   3HG2  VAL  32          3HG2      VAL  32  -4.771  10.970  -5.989
  271    H    THR  33           H        THR  33  -7.964  13.770  -3.929
  272    HA   THR  33           HA       THR  33  -9.073  13.587  -6.628
  273    HB   THR  33           HB       THR  33 -11.117  14.824  -5.857
  274    HG1  THR  33           1HG      THR  33 -10.383  14.010  -3.254
  275   1HG2  THR  33          1HG2      THR  33 -11.170  12.353  -4.247
  276   2HG2  THR  33          2HG2      THR  33 -10.819  12.189  -5.967
  277   3HG2  THR  33          3HG2      THR  33 -12.315  12.962  -5.440
  278    H    ASP  34           H        ASP  34 -10.191  16.099  -6.800
  279    HA   ASP  34           HA       ASP  34  -7.887  17.743  -7.080
  280   1HB   ASP  34          2HB       ASP  34 -10.297  17.697  -8.293
  281   2HB   ASP  34          1HB       ASP  34 -10.568  19.007  -7.153
  282    H    PHE  35           H        PHE  35  -9.726  17.037  -4.370
  283    HA   PHE  35           HA       PHE  35  -9.039  19.608  -3.104
  284   1HB   PHE  35          2HB       PHE  35 -11.223  17.711  -2.225
  285   2HB   PHE  35          1HB       PHE  35 -10.915  19.335  -1.623
  286    HD1  PHE  35           1HD      PHE  35 -11.649  17.592  -4.843
  287    HD2  PHE  35           2HD      PHE  35 -12.234  21.040  -2.415
  288    HE1  PHE  35           1HE      PHE  35 -13.198  18.507  -6.521
  289    HE2  PHE  35           2HE      PHE  35 -13.784  21.959  -4.087
  290    HZ   PHE  35           HZ       PHE  35 -14.269  20.694  -6.145
  291    H    ILE  36           H        ILE  36  -9.363  16.115  -2.612
  292    HA   ILE  36           HA       ILE  36  -8.065  16.053  -0.091
  293    HB   ILE  36           HB       ILE  36  -8.769  13.980  -2.142
  294   1HG1  ILE  36          2HG1      ILE  36  -9.491  14.067   0.778
  295   2HG1  ILE  36          1HG1      ILE  36 -10.388  14.996  -0.419
  296   1HG2  ILE  36          1HG2      ILE  36  -6.700  13.144  -1.409
  297   2HG2  ILE  36          2HG2      ILE  36  -7.925  12.271  -0.488
  298   3HG2  ILE  36          3HG2      ILE  36  -7.025  13.587   0.266
  299   1HD1  ILE  36          1HD1      ILE  36 -11.089  13.024  -1.536
  300   2HD1  ILE  36          2HD1      ILE  36 -11.383  12.790   0.187
  301   3HD1  ILE  36          3HD1      ILE  36  -9.996  12.022  -0.582
  302    H    ALA  37           H        ALA  37  -6.977  15.989  -3.417
  303    HA   ALA  37           HA       ALA  37  -4.186  15.844  -2.470
  304   1HB   ALA  37          1HB       ALA  37  -4.245  13.880  -3.621
  305   2HB   ALA  37          2HB       ALA  37  -3.872  14.969  -4.953
  306   3HB   ALA  37          3HB       ALA  37  -5.529  14.423  -4.701
  307    HA   PRO  38           HA       PRO  38  -3.537  19.655  -4.572
  308   1HB   PRO  38          2HB       PRO  38  -0.961  19.479  -5.343
  309   2HB   PRO  38          1HB       PRO  38  -1.434  19.698  -3.657
  310   1HG   PRO  38          2HG       PRO  38  -0.600  17.214  -5.093
  311   2HG   PRO  38          1HG       PRO  38  -0.197  17.749  -3.452
  312   1HD   PRO  38          2HD       PRO  38  -2.112  15.882  -4.009
  313   2HD   PRO  38          1HD       PRO  38  -2.147  16.924  -2.576
  314    H    GLY  39           H        GLY  39  -3.697  16.901  -6.239
  315   1HA   GLY  39          2HA       GLY  39  -4.713  17.403  -8.543
  316   2HA   GLY  39          1HA       GLY  39  -3.136  18.117  -8.852
  317    H    TYR  40           H        TYR  40  -3.709  15.177  -6.985
  318    HA   TYR  40           HA       TYR  40  -1.733  13.669  -8.228
  319   1HB   TYR  40          2HB       TYR  40  -4.137  12.979  -6.584
  320   2HB   TYR  40          1HB       TYR  40  -3.272  11.679  -7.397
  321    HD1  TYR  40           2HD      TYR  40  -2.010  14.765  -5.712
  322    HD2  TYR  40           1HD      TYR  40  -2.107  10.505  -5.749
  323    HE1  TYR  40           2HE      TYR  40  -0.384  14.714  -3.874
  324    HE2  TYR  40           1HE      TYR  40  -0.489  10.452  -3.909
  325    HH   TYR  40           HH       TYR  40   0.711  11.649  -2.457
  326    H    SER  41           H        SER  41  -5.235  13.705  -8.899
  327    HA   SER  41           HA       SER  41  -5.191  11.777 -10.944
  328   1HB   SER  41          2HB       SER  41  -7.104  13.985 -10.237
  329   2HB   SER  41          1HB       SER  41  -7.357  12.997 -11.677
  330    HG   SER  41           HG       SER  41  -8.321  11.739 -10.278
  331    H    MET  42           H        MET  42  -4.306  15.148 -10.994
  332    HA   MET  42           HA       MET  42  -4.494  15.372 -13.865
  333   1HB   MET  42          2HB       MET  42  -3.550  17.204 -11.680
  334   2HB   MET  42          1HB       MET  42  -3.298  17.599 -13.374
  335   1HG   MET  42          2HG       MET  42  -5.517  17.963 -13.767
  336   2HG   MET  42          1HG       MET  42  -6.037  16.870 -12.485
  337   1HE   MET  42          1HE       MET  42  -7.810  18.718 -12.314
  338   2HE   MET  42          2HE       MET  42  -7.663  20.003 -11.116
  339   3HE   MET  42          3HE       MET  42  -7.567  18.315 -10.615
  340    H    ILE  43           H        ILE  43  -1.892  14.975 -11.479
  341    HA   ILE  43           HA       ILE  43   0.055  14.864 -13.678
  342    HB   ILE  43           HB       ILE  43   0.486  16.430 -11.806
  343   1HG1  ILE  43          2HG1      ILE  43   2.748  14.598 -11.493
  344   2HG1  ILE  43          1HG1      ILE  43   2.249  14.797 -13.170
  345   1HG2  ILE  43          1HG2      ILE  43   1.113  14.031 -10.120
  346   2HG2  ILE  43          2HG2      ILE  43  -0.440  14.861 -10.053
  347   3HG2  ILE  43          3HG2      ILE  43   1.038  15.725  -9.644
  348   1HD1  ILE  43          1HD1      ILE  43   3.425  16.759 -11.290
  349   2HD1  ILE  43          2HD1      ILE  43   2.291  17.348 -12.504
  350   3HD1  ILE  43          3HD1      ILE  43   3.750  16.492 -13.002
  351    H    ILE  44           H        ILE  44  -0.870  13.046 -10.756
  352    HA   ILE  44           HA       ILE  44   0.682  10.761 -11.711
  353    HB   ILE  44           HB       ILE  44  -0.487  11.499  -9.040
  354   1HG1  ILE  44          2HG1      ILE  44   1.772  12.256  -9.598
  355   2HG1  ILE  44          1HG1      ILE  44   1.803  11.090  -8.282
  356   1HG2  ILE  44          1HG2      ILE  44  -1.184   9.203  -9.348
  357   2HG2  ILE  44          2HG2      ILE  44   0.132   9.273  -8.184
  358   3HG2  ILE  44          3HG2      ILE  44   0.444   8.745  -9.836
  359   1HD1  ILE  44          1HD1      ILE  44   3.486  10.218  -9.486
  360   2HD1  ILE  44          2HD1      ILE  44   2.914  10.920 -10.997
  361   3HD1  ILE  44          3HD1      ILE  44   2.175   9.446 -10.375
  362    H    LYS  45           H        LYS  45  -0.582  10.004 -13.361
  363    HA   LYS  45           HA       LYS  45  -3.337   9.728 -13.434
  364   1HB   LYS  45          2HB       LYS  45  -1.193   9.080 -15.093
  365   2HB   LYS  45          1HB       LYS  45  -2.018   7.552 -14.823
  366   1HG   LYS  45          2HG       LYS  45  -4.124   8.566 -15.568
  367   2HG   LYS  45          1HG       LYS  45  -3.278  10.087 -15.858
  368   1HD   LYS  45          2HD       LYS  45  -3.128   9.272 -17.962
  369   2HD   LYS  45          1HD       LYS  45  -1.726   8.429 -17.297
  370   1HE   LYS  45          2HE       LYS  45  -3.869   6.778 -16.678
  371   2HE   LYS  45          1HE       LYS  45  -4.241   7.370 -18.296
  372   1HZ   LYS  45          1HZ       LYS  45  -2.271   6.473 -19.148
  373   2HZ   LYS  45          2HZ       LYS  45  -2.862   5.268 -18.120
  374   3HZ   LYS  45          3HZ       LYS  45  -1.583   6.253 -17.617
  375    H    HIS  46           H        HIS  46  -0.939   7.277 -12.424
  376    HA   HIS  46           HA       HIS  46  -3.171   5.734 -11.275
  377   1HB   HIS  46          2HB       HIS  46  -1.062   4.945 -13.013
  378   2HB   HIS  46          1HB       HIS  46  -0.799   4.149 -11.467
  379    HD1  HIS  46           1HD      HIS  46  -3.897   3.773 -10.823
  380    HD2  HIS  46           2HD      HIS  46  -1.958   2.696 -14.339
  381    HE1  HIS  46           1HE      HIS  46  -5.315   1.967 -11.848
  382    HE2  HIS  46           2HE      HIS  46  -4.167   1.390 -14.014
  383    HA   PRO  47           HA       PRO  47  -0.616   7.123  -7.664
  384   1HB   PRO  47          2HB       PRO  47  -2.668   7.987  -6.135
  385   2HB   PRO  47          1HB       PRO  47  -1.909   9.007  -7.361
  386   1HG   PRO  47          2HG       PRO  47  -4.479   7.496  -7.478
  387   2HG   PRO  47          1HG       PRO  47  -4.086   9.099  -8.122
  388   1HD   PRO  47          2HD       PRO  47  -4.183   6.803  -9.636
  389   2HD   PRO  47          1HD       PRO  47  -3.239   8.242 -10.058
  390    H    MET  48           H        MET  48  -3.744   5.454  -7.679
  391    HA   MET  48           HA       MET  48  -4.591   3.720  -6.488
  392   1HB   MET  48          2HB       MET  48  -1.803   3.008  -7.132
  393   2HB   MET  48          1HB       MET  48  -2.532   2.061  -5.841
  394   1HG   MET  48          2HG       MET  48  -4.012   2.465  -8.396
  395   2HG   MET  48          1HG       MET  48  -2.718   1.273  -8.307
  396   1HE   MET  48          1HE       MET  48  -5.682  -0.510  -8.749
  397   2HE   MET  48          2HE       MET  48  -5.663   1.231  -9.021
  398   3HE   MET  48          3HE       MET  48  -6.796   0.531  -7.864
  399    H    ASP  49           H        ASP  49  -5.050   5.253  -4.754
  400    HA   ASP  49           HA       ASP  49  -3.370   5.574  -2.507
  401   1HB   ASP  49          2HB       ASP  49  -6.381   5.802  -2.696
  402   2HB   ASP  49          1HB       ASP  49  -5.399   6.388  -1.357
  403    H    PHE  50           H        PHE  50  -4.117   4.885  -0.257
  404    HA   PHE  50           HA       PHE  50  -3.955   2.078  -0.070
  405   1HB   PHE  50          2HB       PHE  50  -4.715   4.136   2.012
  406   2HB   PHE  50          1HB       PHE  50  -4.406   2.437   2.361
  407    HD1  PHE  50           2HD      PHE  50  -2.874   5.579   1.191
  408    HD2  PHE  50           1HD      PHE  50  -2.199   1.586   2.493
  409    HE1  PHE  50           2HE      PHE  50  -0.475   6.060   1.396
  410    HE2  PHE  50           1HE      PHE  50   0.203   2.062   2.705
  411    HZ   PHE  50           HZ       PHE  50   1.069   4.300   2.152
  412    H    SER  51           H        SER  51  -6.682   4.277  -0.140
  413    HA   SER  51           HA       SER  51  -8.624   2.404   0.797
  414   1HB   SER  51          2HB       SER  51  -9.183   4.702   1.021
  415   2HB   SER  51          1HB       SER  51  -8.840   5.031  -0.675
  416    HG   SER  51           HG       SER  51 -10.700   4.039  -1.255
  417    H    THR  52           H        THR  52  -7.524   3.445  -2.415
  418    HA   THR  52           HA       THR  52  -9.453   1.943  -3.859
  419    HB   THR  52           HB       THR  52  -6.788   2.558  -5.061
  420    HG1  THR  52           1HG      THR  52  -7.188   4.707  -5.123
  421   1HG2  THR  52          1HG2      THR  52  -8.170   3.351  -6.930
  422   2HG2  THR  52          2HG2      THR  52  -9.618   2.922  -6.017
  423   3HG2  THR  52          3HG2      THR  52  -8.485   1.666  -6.517
  424    H    MET  53           H        MET  53  -6.073   1.299  -2.938
  425    HA   MET  53           HA       MET  53  -5.875  -1.184  -4.246
  426   1HB   MET  53          2HB       MET  53  -3.875  -1.560  -2.979
  427   2HB   MET  53          1HB       MET  53  -3.932   0.137  -3.425
  428   1HG   MET  53          2HG       MET  53  -4.743   0.672  -1.163
  429   2HG   MET  53          1HG       MET  53  -4.593  -1.031  -0.730
  430   1HE   MET  53          1HE       MET  53  -0.797  -1.668  -0.785
  431   2HE   MET  53          2HE       MET  53  -1.791  -1.849  -2.232
  432   3HE   MET  53          3HE       MET  53  -2.423  -2.343  -0.661
  433    H    LYS  54           H        LYS  54  -6.762  -0.413  -0.866
  434    HA   LYS  54           HA       LYS  54  -7.008  -3.053   0.036
  435   1HB   LYS  54          2HB       LYS  54  -8.350  -2.175   1.858
  436   2HB   LYS  54          1HB       LYS  54  -6.985  -1.113   1.546
  437   1HG   LYS  54          2HG       LYS  54  -8.379   0.494   0.482
  438   2HG   LYS  54          1HG       LYS  54  -9.754  -0.609   0.481
  439   1HD   LYS  54          2HD       LYS  54  -8.648  -0.183   3.140
  440   2HD   LYS  54          1HD       LYS  54  -9.205   1.310   2.384
  441   1HE   LYS  54          2HE       LYS  54 -11.343   0.751   2.665
  442   2HE   LYS  54          1HE       LYS  54 -11.084  -0.846   1.965
  443   1HZ   LYS  54          1HZ       LYS  54 -11.794  -1.197   4.161
  444   2HZ   LYS  54          2HZ       LYS  54 -10.754  -0.021   4.790
  445   3HZ   LYS  54          3HZ       LYS  54 -10.124  -1.473   4.194
  446    H    GLU  55           H        GLU  55  -9.352  -0.967  -1.602
  447    HA   GLU  55           HA       GLU  55 -11.597  -2.650  -1.318
  448   1HB   GLU  55          2HB       GLU  55 -11.170  -0.168  -2.382
  449   2HB   GLU  55          1HB       GLU  55 -11.412  -1.126  -3.837
  450   1HG   GLU  55          2HG       GLU  55 -13.514  -2.008  -2.624
  451   2HG   GLU  55          1HG       GLU  55 -13.306  -0.597  -1.587
  452    H    LYS  56           H        LYS  56  -8.985  -2.514  -3.679
  453    HA   LYS  56           HA       LYS  56 -10.061  -4.435  -5.469
  454   1HB   LYS  56          2HB       LYS  56  -7.719  -2.821  -5.292
  455   2HB   LYS  56          1HB       LYS  56  -7.212  -4.483  -5.550
  456   1HG   LYS  56          2HG       LYS  56  -7.497  -4.013  -7.710
  457   2HG   LYS  56          1HG       LYS  56  -9.213  -4.249  -7.373
  458   1HD   LYS  56          2HD       LYS  56  -9.649  -1.984  -7.333
  459   2HD   LYS  56          1HD       LYS  56  -7.982  -1.564  -6.930
  460   1HE   LYS  56          2HE       LYS  56  -7.271  -1.731  -9.110
  461   2HE   LYS  56          1HE       LYS  56  -8.549  -2.861  -9.553
  462   1HZ   LYS  56          1HZ       LYS  56  -8.578   0.048  -9.506
  463   2HZ   LYS  56          2HZ       LYS  56  -9.998  -0.712  -8.991
  464   3HZ   LYS  56          3HZ       LYS  56  -9.384  -1.027 -10.535
  465    H    ILE  57           H        ILE  57  -8.029  -4.658  -2.581
  466    HA   ILE  57           HA       ILE  57  -7.215  -7.332  -2.852
  467    HB   ILE  57           HB       ILE  57  -7.863  -6.135  -0.167
  468   1HG1  ILE  57          2HG1      ILE  57  -5.466  -5.553  -1.916
  469   2HG1  ILE  57          1HG1      ILE  57  -6.626  -4.399  -1.276
  470   1HG2  ILE  57          1HG2      ILE  57  -5.761  -8.072  -1.123
  471   2HG2  ILE  57          2HG2      ILE  57  -7.199  -8.456  -0.175
  472   3HG2  ILE  57          3HG2      ILE  57  -5.914  -7.474   0.530
  473   1HD1  ILE  57          1HD1      ILE  57  -5.764  -5.348   1.028
  474   2HD1  ILE  57          2HD1      ILE  57  -4.915  -4.063   0.170
  475   3HD1  ILE  57          3HD1      ILE  57  -4.343  -5.726   0.055
  476    H    LYS  58           H        LYS  58 -10.132  -5.914  -1.420
  477    HA   LYS  58           HA       LYS  58 -11.239  -8.271  -0.374
  478   1HB   LYS  58          2HB       LYS  58 -12.588  -5.778  -1.416
  479   2HB   LYS  58          1HB       LYS  58 -13.423  -7.058  -0.544
  480   1HG   LYS  58          2HG       LYS  58 -11.288  -6.445   1.096
  481   2HG   LYS  58          1HG       LYS  58 -11.792  -4.879   0.456
  482   1HD   LYS  58          2HD       LYS  58 -14.198  -5.890   1.051
  483   2HD   LYS  58          1HD       LYS  58 -13.228  -6.765   2.237
  484   1HE   LYS  58          2HE       LYS  58 -13.323  -3.770   1.881
  485   2HE   LYS  58          1HE       LYS  58 -14.109  -4.685   3.167
  486   1HZ   LYS  58          1HZ       LYS  58 -11.288  -4.017   2.819
  487   2HZ   LYS  58          2HZ       LYS  58 -11.637  -5.523   3.504
  488   3HZ   LYS  58          3HZ       LYS  58 -12.211  -4.110   4.233
  489    H    ASN  59           H        ASN  59 -10.943  -7.224  -3.662
  490    HA   ASN  59           HA       ASN  59 -12.930  -9.188  -4.561
  491   1HB   ASN  59          2HB       ASN  59 -11.761  -6.709  -5.730
  492   2HB   ASN  59          1HB       ASN  59 -12.249  -7.985  -6.839
  493   1HD2  ASN  59          1HD2      ASN  59 -13.482  -6.239  -3.999
  494   2HD2  ASN  59          2HD2      ASN  59 -15.105  -6.111  -4.577
  495    H    ASN  60           H        ASN  60 -10.097  -9.727  -3.577
  496    HA   ASN  60           HA       ASN  60  -8.383 -11.126  -4.045
  497   1HB   ASN  60          2HB       ASN  60 -10.635 -12.185  -5.448
  498   2HB   ASN  60          1HB       ASN  60  -9.199 -12.417  -6.439
  499   1HD2  ASN  60          1HD2      ASN  60 -10.482 -12.896  -3.189
  500   2HD2  ASN  60          2HD2      ASN  60  -9.547 -14.304  -2.834
  501    H    ASP  61           H        ASP  61  -8.712  -8.454  -5.486
  502    HA   ASP  61           HA       ASP  61  -7.287  -8.771  -7.953
  503   1HB   ASP  61          2HB       ASP  61  -8.774  -6.748  -6.910
  504   2HB   ASP  61          1HB       ASP  61  -7.151  -6.158  -6.567
  505    H    TYR  62           H        TYR  62  -6.497  -8.302  -4.597
  506    HA   TYR  62           HA       TYR  62  -3.631  -8.266  -5.260
  507   1HB   TYR  62          2HB       TYR  62  -5.121  -7.112  -2.903
  508   2HB   TYR  62          1HB       TYR  62  -3.375  -7.332  -2.908
  509    HD1  TYR  62           1HD      TYR  62  -2.035  -6.141  -4.739
  510    HD2  TYR  62           2HD      TYR  62  -6.080  -5.201  -3.830
  511    HE1  TYR  62           1HE      TYR  62  -1.765  -3.954  -5.825
  512    HE2  TYR  62           2HE      TYR  62  -5.821  -3.013  -4.915
  513    HH   TYR  62           HH       TYR  62  -3.922  -2.181  -6.953
  514    H    GLN  63           H        GLN  63  -2.961 -10.311  -5.135
  515    HA   GLN  63           HA       GLN  63  -3.237 -11.720  -2.609
  516   1HB   GLN  63          2HB       GLN  63  -5.074 -12.395  -4.394
  517   2HB   GLN  63          1HB       GLN  63  -3.752 -13.336  -5.072
  518   1HG   GLN  63          2HG       GLN  63  -3.551 -14.063  -2.498
  519   2HG   GLN  63          1HG       GLN  63  -5.280 -13.726  -2.583
  520   1HE2  GLN  63          1HE2      GLN  63  -2.733 -15.843  -3.507
  521   2HE2  GLN  63          2HE2      GLN  63  -3.710 -17.028  -4.295
  522    H    SER  64           H        SER  64  -1.166 -10.367  -4.303
  523    HA   SER  64           HA       SER  64   0.831 -12.459  -4.109
  524   1HB   SER  64          2HB       SER  64   0.146 -12.602  -6.448
  525   2HB   SER  64          1HB       SER  64   0.381 -10.865  -6.646
  526    HG   SER  64           HG       SER  64   2.274 -12.914  -6.424
  527    H    ILE  65           H        ILE  65   2.771 -11.719  -3.537
  528    HA   ILE  65           HA       ILE  65   3.045  -9.270  -2.262
  529    HB   ILE  65           HB       ILE  65   5.543  -9.759  -2.392
  530   1HG1  ILE  65          2HG1      ILE  65   4.643 -12.451  -3.399
  531   2HG1  ILE  65          1HG1      ILE  65   5.253 -11.207  -4.485
  532   1HG2  ILE  65          1HG2      ILE  65   3.695 -10.547  -0.667
  533   2HG2  ILE  65          2HG2      ILE  65   5.378 -11.054  -0.534
  534   3HG2  ILE  65          3HG2      ILE  65   4.188 -12.132  -1.260
  535   1HD1  ILE  65          1HD1      ILE  65   6.965 -11.768  -2.175
  536   2HD1  ILE  65          2HD1      ILE  65   7.378 -11.553  -3.876
  537   3HD1  ILE  65          3HD1      ILE  65   6.768 -13.108  -3.306
  538    H    GLU  66           H        GLU  66   3.857 -10.214  -5.559
  539    HA   GLU  66           HA       GLU  66   5.308  -7.861  -6.229
  540   1HB   GLU  66          2HB       GLU  66   5.482 -10.010  -7.464
  541   2HB   GLU  66          1HB       GLU  66   3.841  -9.780  -8.053
  542   1HG   GLU  66          2HG       GLU  66   4.639  -7.627  -9.087
  543   2HG   GLU  66          1HG       GLU  66   6.276  -8.142  -8.688
  544    H    GLU  67           H        GLU  67   1.920  -8.828  -6.537
  545    HA   GLU  67           HA       GLU  67   1.059  -6.596  -8.047
  546   1HB   GLU  67          2HB       GLU  67  -0.233  -8.683  -7.867
  547   2HB   GLU  67          1HB       GLU  67  -0.505  -8.372  -6.158
  548   1HG   GLU  67          2HG       GLU  67  -2.478  -7.654  -7.073
  549   2HG   GLU  67          1HG       GLU  67  -1.561  -6.151  -7.012
  550    H    LEU  68           H        LEU  68   1.002  -7.285  -4.561
  551    HA   LEU  68           HA       LEU  68  -0.198  -4.867  -3.767
  552   1HB   LEU  68          2HB       LEU  68   1.198  -7.096  -2.466
  553   2HB   LEU  68          1HB       LEU  68   1.361  -5.567  -1.624
  554    HG   LEU  68           HG       LEU  68  -1.188  -7.044  -2.263
  555   1HD1  LEU  68          1HD1      LEU  68  -0.328  -7.956  -0.319
  556   2HD1  LEU  68          2HD1      LEU  68  -1.379  -6.682   0.296
  557   3HD1  LEU  68          3HD1      LEU  68   0.363  -6.425   0.218
  558   1HD2  LEU  68          1HD2      LEU  68  -1.995  -4.940  -2.556
  559   2HD2  LEU  68          2HD2      LEU  68  -0.716  -4.192  -1.601
  560   3HD2  LEU  68          3HD2      LEU  68  -2.059  -5.003  -0.796
  561    H    LYS  69           H        LYS  69   3.231  -5.814  -3.947
  562    HA   LYS  69           HA       LYS  69   4.278  -3.394  -2.977
  563   1HB   LYS  69          2HB       LYS  69   5.323  -5.793  -4.292
  564   2HB   LYS  69          1HB       LYS  69   6.242  -4.337  -4.652
  565   1HG   LYS  69          2HG       LYS  69   6.932  -4.064  -2.490
  566   2HG   LYS  69          1HG       LYS  69   5.532  -4.902  -1.820
  567   1HD   LYS  69          2HD       LYS  69   7.237  -6.424  -1.461
  568   2HD   LYS  69          1HD       LYS  69   6.542  -6.991  -2.981
  569   1HE   LYS  69          2HE       LYS  69   8.374  -5.284  -3.940
  570   2HE   LYS  69          1HE       LYS  69   9.167  -5.738  -2.433
  571   1HZ   LYS  69          1HZ       LYS  69   8.082  -7.883  -4.105
  572   2HZ   LYS  69          2HZ       LYS  69   9.456  -7.872  -3.120
  573   3HZ   LYS  69          3HZ       LYS  69   9.494  -7.116  -4.631
  574    H    ASP  70           H        ASP  70   3.680  -4.468  -6.326
  575    HA   ASP  70           HA       ASP  70   4.818  -2.273  -7.620
  576   1HB   ASP  70          2HB       ASP  70   2.846  -4.360  -8.342
  577   2HB   ASP  70          1HB       ASP  70   2.835  -2.910  -9.340
  578    H    ASN  71           H        ASN  71   1.450  -2.723  -6.527
  579    HA   ASN  71           HA       ASN  71   0.640  -0.141  -7.461
  580   1HB   ASN  71          2HB       ASN  71  -0.669  -2.263  -5.788
  581   2HB   ASN  71          1HB       ASN  71  -1.411  -0.676  -5.963
  582   1HD2  ASN  71          1HD2      ASN  71  -1.255   0.060  -8.425
  583   2HD2  ASN  71          2HD2      ASN  71  -1.891  -1.105  -9.529
  584    H    PHE  72           H        PHE  72   1.346  -1.485  -4.230
  585    HA   PHE  72           HA       PHE  72   0.817   0.844  -2.758
  586   1HB   PHE  72          2HB       PHE  72   1.087  -1.264  -1.617
  587   2HB   PHE  72          1HB       PHE  72   2.730  -1.439  -2.219
  588    HD1  PHE  72           2HD      PHE  72   1.018   1.466  -0.614
  589    HD2  PHE  72           1HD      PHE  72   4.117  -1.444  -0.381
  590    HE1  PHE  72           2HE      PHE  72   1.881   2.547   1.419
  591    HE2  PHE  72           1HE      PHE  72   4.979  -0.368   1.654
  592    HZ   PHE  72           HZ       PHE  72   3.860   1.630   2.556
  593    H    LYS  73           H        LYS  73   3.769  -0.297  -4.339
  594    HA   LYS  73           HA       LYS  73   5.453   1.794  -3.461
  595   1HB   LYS  73          2HB       LYS  73   6.248  -0.372  -4.415
  596   2HB   LYS  73          1HB       LYS  73   5.704   0.164  -5.998
  597   1HG   LYS  73          2HG       LYS  73   7.553   1.349  -6.329
  598   2HG   LYS  73          1HG       LYS  73   7.436   2.116  -4.746
  599   1HD   LYS  73          2HD       LYS  73   8.233  -0.693  -4.626
  600   2HD   LYS  73          1HD       LYS  73   9.367   0.325  -5.517
  601   1HE   LYS  73          2HE       LYS  73   9.420   1.880  -3.593
  602   2HE   LYS  73          1HE       LYS  73   8.374   0.772  -2.703
  603   1HZ   LYS  73          1HZ       LYS  73  10.145  -0.945  -3.066
  604   2HZ   LYS  73          2HZ       LYS  73  10.578   0.323  -2.037
  605   3HZ   LYS  73          3HZ       LYS  73  11.150   0.293  -3.628
  606    H    LEU  74           H        LEU  74   3.270   1.459  -6.218
  607    HA   LEU  74           HA       LEU  74   4.148   3.662  -7.711
  608   1HB   LEU  74          2HB       LEU  74   1.655   2.067  -7.559
  609   2HB   LEU  74          1HB       LEU  74   1.516   3.658  -8.286
  610    HG   LEU  74           HG       LEU  74   3.670   1.815  -9.239
  611   1HD1  LEU  74          1HD1      LEU  74   0.760   1.423  -9.575
  612   2HD1  LEU  74          2HD1      LEU  74   2.080   0.257  -9.624
  613   3HD1  LEU  74          3HD1      LEU  74   1.753   1.274 -11.025
  614   1HD2  LEU  74          1HD2      LEU  74   1.994   3.985 -10.495
  615   2HD2  LEU  74          2HD2      LEU  74   3.154   2.990 -11.375
  616   3HD2  LEU  74          3HD2      LEU  74   3.708   4.056 -10.084
  617    H    MET  75           H        MET  75   1.689   3.472  -5.118
  618    HA   MET  75           HA       MET  75   0.986   6.218  -5.257
  619   1HB   MET  75          2HB       MET  75  -0.183   4.189  -4.025
  620   2HB   MET  75          1HB       MET  75   0.783   4.749  -2.667
  621   1HG   MET  75          2HG       MET  75  -0.409   7.047  -3.758
  622   2HG   MET  75          1HG       MET  75  -1.663   5.810  -3.725
  623   1HE   MET  75          1HE       MET  75   0.953   7.714  -2.083
  624   2HE   MET  75          2HE       MET  75   1.141   6.921  -0.520
  625   3HE   MET  75          3HE       MET  75   0.109   8.342  -0.668
  626    H    CYS  76           H        CYS  76   3.348   4.435  -3.302
  627    HA   CYS  76           HA       CYS  76   4.152   6.587  -1.669
  628   1HB   CYS  76          2HB       CYS  76   5.294   3.940  -2.413
  629   2HB   CYS  76          1HB       CYS  76   6.398   5.126  -1.724
  630    HG   CYS  76           HG       CYS  76   5.214   4.982   0.489
  631    H    THR  77           H        THR  77   5.492   5.339  -4.722
  632    HA   THR  77           HA       THR  77   7.548   7.285  -4.929
  633    HB   THR  77           HB       THR  77   6.273   5.724  -7.183
  634    HG1  THR  77           1HG      THR  77   6.932   4.154  -5.865
  635   1HG2  THR  77          1HG2      THR  77   9.141   6.559  -6.963
  636   2HG2  THR  77          2HG2      THR  77   7.922   7.582  -7.724
  637   3HG2  THR  77          3HG2      THR  77   8.259   5.980  -8.377
  638    H    ASN  78           H        ASN  78   4.265   7.070  -6.264
  639    HA   ASN  78           HA       ASN  78   4.439   9.443  -7.811
  640   1HB   ASN  78          2HB       ASN  78   2.072   7.874  -6.783
  641   2HB   ASN  78          1HB       ASN  78   1.938   9.254  -7.856
  642   1HD2  ASN  78          1HD2      ASN  78   0.837   7.074  -8.789
  643   2HD2  ASN  78          2HD2      ASN  78   1.800   6.305  -9.990
  644    H    ALA  79           H        ALA  79   3.514   8.747  -4.495
  645    HA   ALA  79           HA       ALA  79   2.314  11.276  -3.963
  646   1HB   ALA  79          1HB       ALA  79   3.351   9.088  -2.180
  647   2HB   ALA  79          2HB       ALA  79   1.678   9.517  -2.532
  648   3HB   ALA  79          3HB       ALA  79   2.673  10.587  -1.545
  649    H    MET  80           H        MET  80   5.590   9.971  -3.602
  650    HA   MET  80           HA       MET  80   6.575  12.268  -2.208
  651   1HB   MET  80          2HB       MET  80   8.793  11.285  -2.523
  652   2HB   MET  80          1HB       MET  80   7.648  10.090  -1.936
  653   1HG   MET  80          2HG       MET  80   7.688   8.891  -3.874
  654   2HG   MET  80          1HG       MET  80   8.088  10.289  -4.866
  655   1HE   MET  80          1HE       MET  80  10.888   9.862  -6.059
  656   2HE   MET  80          2HE       MET  80  11.631  10.828  -4.784
  657   3HE   MET  80          3HE       MET  80  10.000  11.205  -5.337
  658    H    ILE  81           H        ILE  81   6.422  11.310  -5.608
  659    HA   ILE  81           HA       ILE  81   8.191  13.334  -6.535
  660    HB   ILE  81           HB       ILE  81   7.694  11.366  -7.909
  661   1HG1  ILE  81          2HG1      ILE  81   6.796  13.017  -9.953
  662   2HG1  ILE  81          1HG1      ILE  81   7.552  14.134  -8.822
  663   1HG2  ILE  81          1HG2      ILE  81   5.582  11.189  -9.134
  664   2HG2  ILE  81          2HG2      ILE  81   4.952  12.572  -8.239
  665   3HG2  ILE  81          3HG2      ILE  81   5.346  11.077  -7.392
  666   1HD1  ILE  81          1HD1      ILE  81   9.086  11.700  -9.440
  667   2HD1  ILE  81          2HD1      ILE  81   9.621  13.370  -9.249
  668   3HD1  ILE  81          3HD1      ILE  81   8.876  12.851 -10.760
  669    H    TYR  82           H        TYR  82   4.628  13.182  -6.229
  670    HA   TYR  82           HA       TYR  82   4.484  15.989  -7.041
  671   1HB   TYR  82          2HB       TYR  82   2.879  14.189  -7.913
  672   2HB   TYR  82          1HB       TYR  82   2.133  14.248  -6.318
  673    HD1  TYR  82           2HD      TYR  82   3.488  17.052  -8.373
  674    HD2  TYR  82           1HD      TYR  82   0.036  15.201  -6.707
  675    HE1  TYR  82           2HE      TYR  82   2.121  18.963  -9.093
  676    HE2  TYR  82           1HE      TYR  82  -1.334  17.107  -7.425
  677    HH   TYR  82           HH       TYR  82  -0.145  20.020  -8.280
  678    H    ASN  83           H        ASN  83   5.736  15.374  -4.526
  679    HA   ASN  83           HA       ASN  83   4.304  17.203  -2.873
  680   1HB   ASN  83          2HB       ASN  83   3.374  14.689  -2.539
  681   2HB   ASN  83          1HB       ASN  83   4.715  14.661  -1.399
  682   1HD2  ASN  83          1HD2      ASN  83   4.765  17.042  -0.249
  683   2HD2  ASN  83          2HD2      ASN  83   3.267  17.412   0.525
  684    H    LYS  84           H        LYS  84   6.139  18.404  -2.784
  685    HA   LYS  84           HA       LYS  84   8.715  17.327  -2.204
  686   1HB   LYS  84          2HB       LYS  84   7.710  20.178  -2.037
  687   2HB   LYS  84          1HB       LYS  84   9.397  19.694  -1.958
  688   1HG   LYS  84          2HG       LYS  84   8.998  18.636  -4.262
  689   2HG   LYS  84          1HG       LYS  84   7.528  19.614  -4.296
  690   1HD   LYS  84          2HD       LYS  84   9.420  21.427  -3.494
  691   2HD   LYS  84          1HD       LYS  84  10.325  20.408  -4.616
  692   1HE   LYS  84          2HE       LYS  84   8.730  20.817  -6.363
  693   2HE   LYS  84          1HE       LYS  84   7.661  21.667  -5.248
  694   1HZ   LYS  84          1HZ       LYS  84   8.813  23.296  -6.485
  695   2HZ   LYS  84          2HZ       LYS  84  10.312  22.553  -6.235
  696   3HZ   LYS  84          3HZ       LYS  84   9.513  23.301  -4.944
  697    HA   PRO  85           HA       PRO  85   8.768  17.086   2.199
  698   1HB   PRO  85          2HB       PRO  85  11.122  18.360   2.845
  699   2HB   PRO  85          1HB       PRO  85  11.017  16.700   2.246
  700   1HG   PRO  85          2HG       PRO  85  11.644  19.217   0.758
  701   2HG   PRO  85          1HG       PRO  85  12.391  17.615   0.613
  702   1HD   PRO  85          2HD       PRO  85  10.593  18.492  -1.173
  703   2HD   PRO  85          1HD       PRO  85  10.655  16.787  -0.683
  704    H    GLU  86           H        GLU  86   6.923  18.597   2.158
  705    HA   GLU  86           HA       GLU  86   7.432  21.375   2.795
  706   1HB   GLU  86          2HB       GLU  86   5.191  19.787   1.889
  707   2HB   GLU  86          1HB       GLU  86   4.720  20.782   3.259
  708   1HG   GLU  86          2HG       GLU  86   4.868  22.697   2.089
  709   2HG   GLU  86          1HG       GLU  86   6.276  22.158   1.177
  710    H    THR  87           H        THR  87   5.637  18.756   4.436
  711    HA   THR  87           HA       THR  87   6.633  19.761   7.004
  712    HB   THR  87           HB       THR  87   4.072  19.040   7.662
  713    HG1  THR  87           1HG      THR  87   3.570  18.959   5.375
  714   1HG2  THR  87          1HG2      THR  87   3.678  21.664   7.294
  715   2HG2  THR  87          2HG2      THR  87   5.439  21.609   7.241
  716   3HG2  THR  87          3HG2      THR  87   4.579  20.991   8.650
  717    H    ILE  88           H        ILE  88   4.111  17.343   6.398
  718    HA   ILE  88           HA       ILE  88   5.991  15.249   7.263
  719    HB   ILE  88           HB       ILE  88   3.063  15.297   8.002
  720   1HG1  ILE  88          2HG1      ILE  88   4.394  15.651  10.361
  721   2HG1  ILE  88          1HG1      ILE  88   5.383  16.613   9.270
  722   1HG2  ILE  88          1HG2      ILE  88   5.377  13.514   8.611
  723   2HG2  ILE  88          2HG2      ILE  88   3.722  13.097   8.167
  724   3HG2  ILE  88          3HG2      ILE  88   4.079  13.681   9.792
  725   1HD1  ILE  88          1HD1      ILE  88   2.812  17.195  10.419
  726   2HD1  ILE  88          2HD1      ILE  88   2.770  17.326   8.660
  727   3HD1  ILE  88          3HD1      ILE  88   3.944  18.260   9.586
  728    H    TYR  89           H        TYR  89   4.215  16.299   4.701
  729    HA   TYR  89           HA       TYR  89   2.862  13.964   3.847
  730   1HB   TYR  89          2HB       TYR  89   3.884  16.387   2.375
  731   2HB   TYR  89          1HB       TYR  89   3.065  15.070   1.548
  732    HD1  TYR  89           2HD      TYR  89   2.667  17.858   3.893
  733    HD2  TYR  89           1HD      TYR  89   0.687  14.719   1.817
  734    HE1  TYR  89           2HE      TYR  89   0.498  18.884   4.425
  735    HE2  TYR  89           1HE      TYR  89  -1.487  15.737   2.339
  736    HH   TYR  89           HH       TYR  89  -2.097  18.535   2.993
  737    H    TYR  90           H        TYR  90   6.080  15.283   3.071
  738    HA   TYR  90           HA       TYR  90   6.828  13.208   1.300
  739   1HB   TYR  90          2HB       TYR  90   7.959  15.419   1.400
  740   2HB   TYR  90          1HB       TYR  90   8.637  14.978   2.963
  741    HD1  TYR  90           1HD      TYR  90   8.377  13.392  -0.423
  742    HD2  TYR  90           2HD      TYR  90  10.861  14.372   2.890
  743    HE1  TYR  90           1HE      TYR  90  10.292  12.352  -1.558
  744    HE2  TYR  90           2HE      TYR  90  12.783  13.337   1.763
  745    HH   TYR  90           HH       TYR  90  12.818  12.559  -1.483
  746    H    LYS  91           H        LYS  91   7.525  13.735   4.752
  747    HA   LYS  91           HA       LYS  91   9.001  11.353   5.111
  748   1HB   LYS  91          2HB       LYS  91   7.795  13.404   6.868
  749   2HB   LYS  91          1HB       LYS  91   8.024  11.820   7.596
  750   1HG   LYS  91          2HG       LYS  91  10.431  12.132   6.468
  751   2HG   LYS  91          1HG       LYS  91  10.014  13.823   6.746
  752   1HD   LYS  91          2HD       LYS  91  10.381  13.633   8.939
  753   2HD   LYS  91          1HD       LYS  91   9.375  12.188   9.045
  754   1HE   LYS  91          2HE       LYS  91  11.338  11.210   9.592
  755   2HE   LYS  91          1HE       LYS  91  11.535  11.143   7.842
  756   1HZ   LYS  91          1HZ       LYS  91  13.521  12.018   8.802
  757   2HZ   LYS  91          2HZ       LYS  91  12.664  13.179   9.685
  758   3HZ   LYS  91          3HZ       LYS  91  12.740  13.289   7.999
  759    H    ALA  92           H        ALA  92   5.558  12.081   5.285
  760    HA   ALA  92           HA       ALA  92   4.669   9.755   6.568
  761   1HB   ALA  92          1HB       ALA  92   2.547  10.229   5.105
  762   2HB   ALA  92          2HB       ALA  92   3.406  11.716   4.707
  763   3HB   ALA  92          3HB       ALA  92   3.017  11.346   6.386
  764    H    ALA  93           H        ALA  93   5.123  10.433   3.099
  765    HA   ALA  93           HA       ALA  93   4.241   7.924   2.164
  766   1HB   ALA  93          1HB       ALA  93   4.308   9.416   0.445
  767   2HB   ALA  93          2HB       ALA  93   5.859   8.620   0.180
  768   3HB   ALA  93          3HB       ALA  93   5.797  10.175   1.011
  769    H    LYS  94           H        LYS  94   7.495   9.128   2.957
  770    HA   LYS  94           HA       LYS  94   8.889   6.794   2.207
  771   1HB   LYS  94          2HB       LYS  94   9.702   9.236   2.884
  772   2HB   LYS  94          1HB       LYS  94   9.917   8.468   4.451
  773   1HG   LYS  94          2HG       LYS  94  11.387   6.805   3.450
  774   2HG   LYS  94          1HG       LYS  94  11.150   7.541   1.863
  775   1HD   LYS  94          2HD       LYS  94  12.114   9.644   2.738
  776   2HD   LYS  94          1HD       LYS  94  12.427   8.835   4.274
  777   1HE   LYS  94          2HE       LYS  94  14.186   7.670   3.457
  778   2HE   LYS  94          1HE       LYS  94  13.453   7.476   1.865
  779   1HZ   LYS  94          1HZ       LYS  94  15.320   8.880   1.611
  780   2HZ   LYS  94          2HZ       LYS  94  14.875   9.854   2.918
  781   3HZ   LYS  94          3HZ       LYS  94  13.962   9.883   1.494
  782    H    LYS  95           H        LYS  95   7.664   7.876   5.373
  783    HA   LYS  95           HA       LYS  95   8.575   5.684   6.874
  784   1HB   LYS  95          2HB       LYS  95   7.480   7.981   7.580
  785   2HB   LYS  95          1HB       LYS  95   6.000   7.033   7.574
  786   1HG   LYS  95          2HG       LYS  95   6.956   5.498   9.198
  787   2HG   LYS  95          1HG       LYS  95   8.471   6.401   9.177
  788   1HD   LYS  95          2HD       LYS  95   6.982   8.428   9.817
  789   2HD   LYS  95          1HD       LYS  95   5.806   7.200  10.287
  790   1HE   LYS  95          2HE       LYS  95   6.954   7.593  12.265
  791   2HE   LYS  95          1HE       LYS  95   7.764   6.166  11.621
  792   1HZ   LYS  95          1HZ       LYS  95   9.633   7.359  11.079
  793   2HZ   LYS  95          2HZ       LYS  95   9.148   8.164  12.486
  794   3HZ   LYS  95          3HZ       LYS  95   8.815   8.836  10.970
  795    H    LEU  96           H        LEU  96   5.538   6.212   5.121
  796    HA   LEU  96           HA       LEU  96   4.229   3.868   5.974
  797   1HB   LEU  96          2HB       LEU  96   3.638   6.029   4.289
  798   2HB   LEU  96          1HB       LEU  96   3.506   4.608   3.273
  799    HG   LEU  96           HG       LEU  96   1.361   5.307   4.323
  800   1HD1  LEU  96          1HD1      LEU  96   2.193   2.619   5.361
  801   2HD1  LEU  96          2HD1      LEU  96   1.974   2.934   3.639
  802   3HD1  LEU  96          3HD1      LEU  96   0.619   3.132   4.751
  803   1HD2  LEU  96          1HD2      LEU  96   1.047   5.496   6.544
  804   2HD2  LEU  96          2HD2      LEU  96   2.792   5.746   6.568
  805   3HD2  LEU  96          3HD2      LEU  96   2.125   4.153   6.921
  806    H    LEU  97           H        LEU  97   6.316   4.517   3.178
  807    HA   LEU  97           HA       LEU  97   6.029   2.075   1.858
  808   1HB   LEU  97          2HB       LEU  97   7.306   4.245   1.184
  809   2HB   LEU  97          1HB       LEU  97   8.672   3.484   1.975
  810    HG   LEU  97           HG       LEU  97   7.164   2.005  -0.153
  811   1HD1  LEU  97          1HD1      LEU  97   8.080   4.456  -0.739
  812   2HD1  LEU  97          2HD1      LEU  97   8.101   3.114  -1.882
  813   3HD1  LEU  97          3HD1      LEU  97   9.557   3.525  -0.977
  814   1HD2  LEU  97          1HD2      LEU  97   9.451   1.051  -0.513
  815   2HD2  LEU  97          2HD2      LEU  97   8.749   0.702   1.065
  816   3HD2  LEU  97          3HD2      LEU  97   9.985   1.947   0.907
  817    H    HIS  98           H        HIS  98   8.320   3.015   4.410
  818    HA   HIS  98           HA       HIS  98   9.704   0.553   4.499
  819   1HB   HIS  98          2HB       HIS  98   9.586   3.002   6.114
  820   2HB   HIS  98          1HB       HIS  98   9.961   1.555   7.042
  821    HD1  HIS  98           1HD      HIS  98  12.415   1.508   7.359
  822    HD2  HIS  98           2HD      HIS  98  11.374   2.700   3.515
  823    HE1  HIS  98           1HE      HIS  98  14.591   1.781   6.126
  824    HE2  HIS  98           2HE      HIS  98  13.938   2.526   3.810
  825    H    SER  99           H        SER  99   6.865   1.762   6.226
  826    HA   SER  99           HA       SER  99   6.620  -0.416   8.026
  827   1HB   SER  99          2HB       SER  99   4.895   1.852   7.167
  828   2HB   SER  99          1HB       SER  99   4.087   0.469   7.904
  829    HG   SER  99           HG       SER  99   6.290   1.842   9.058
  830    H    GLY 100           H        GLY 100   5.102   0.283   4.880
  831   1HA   GLY 100          2HA       GLY 100   3.447  -2.000   4.814
  832   2HA   GLY 100          1HA       GLY 100   3.965  -1.073   3.415
  833    H    MET 101           H        MET 101   6.783  -1.494   3.760
  834    HA   MET 101           HA       MET 101   7.061  -3.946   2.382
  835   1HB   MET 101          2HB       MET 101   8.872  -1.824   3.364
  836   2HB   MET 101          1HB       MET 101   9.602  -3.409   3.148
  837   1HG   MET 101          2HG       MET 101   8.114  -3.016   0.841
  838   2HG   MET 101          1HG       MET 101   8.832  -1.443   1.181
  839   1HE   MET 101          1HE       MET 101   9.959  -3.710  -1.546
  840   2HE   MET 101          2HE       MET 101  11.164  -2.422  -1.499
  841   3HE   MET 101          3HE       MET 101   9.465  -2.053  -1.200
  842    H    LYS 102           H        LYS 102   7.953  -3.001   5.709
  843    HA   LYS 102           HA       LYS 102   9.041  -5.482   6.454
  844   1HB   LYS 102          2HB       LYS 102   8.707  -4.729   8.789
  845   2HB   LYS 102          1HB       LYS 102   9.481  -3.514   7.781
  846   1HG   LYS 102          2HG       LYS 102   7.241  -2.435   7.517
  847   2HG   LYS 102          1HG       LYS 102   6.624  -3.561   8.726
  848   1HD   LYS 102          2HD       LYS 102   8.892  -1.614   9.139
  849   2HD   LYS 102          1HD       LYS 102   7.232  -1.379   9.688
  850   1HE   LYS 102          2HE       LYS 102   7.955  -2.313  11.597
  851   2HE   LYS 102          1HE       LYS 102   7.798  -3.832  10.718
  852   1HZ   LYS 102          1HZ       LYS 102   9.948  -3.693  11.766
  853   2HZ   LYS 102          2HZ       LYS 102  10.278  -2.221  11.002
  854   3HZ   LYS 102          3HZ       LYS 102  10.145  -3.635  10.086
  855    H    ILE 103           H        ILE 103   5.729  -4.221   6.763
  856    HA   ILE 103           HA       ILE 103   4.707  -6.492   8.124
  857    HB   ILE 103           HB       ILE 103   3.144  -4.563   6.396
  858   1HG1  ILE 103          2HG1      ILE 103   3.346  -4.370   9.382
  859   2HG1  ILE 103          1HG1      ILE 103   4.615  -3.671   8.385
  860   1HG2  ILE 103          1HG2      ILE 103   1.484  -5.312   8.389
  861   2HG2  ILE 103          2HG2      ILE 103   2.422  -6.790   8.176
  862   3HG2  ILE 103          3HG2      ILE 103   1.551  -6.093   6.810
  863   1HD1  ILE 103          1HD1      ILE 103   1.910  -2.730   8.912
  864   2HD1  ILE 103          2HD1      ILE 103   2.360  -2.687   7.206
  865   3HD1  ILE 103          3HD1      ILE 103   3.346  -1.843   8.400
  866    H    LEU 104           H        LEU 104   5.083  -5.696   4.706
  867    HA   LEU 104           HA       LEU 104   3.463  -7.689   3.598
  868   1HB   LEU 104          2HB       LEU 104   5.339  -5.790   2.660
  869   2HB   LEU 104          1HB       LEU 104   5.808  -7.341   1.995
  870    HG   LEU 104           HG       LEU 104   2.941  -6.806   1.753
  871   1HD1  LEU 104          1HD1      LEU 104   2.919  -4.954   0.446
  872   2HD1  LEU 104          2HD1      LEU 104   4.562  -5.209  -0.142
  873   3HD1  LEU 104          3HD1      LEU 104   4.295  -4.538   1.466
  874   1HD2  LEU 104          1HD2      LEU 104   4.400  -8.621   0.671
  875   2HD2  LEU 104          2HD2      LEU 104   4.912  -7.351  -0.441
  876   3HD2  LEU 104          3HD2      LEU 104   3.211  -7.800  -0.339
  877    H    SER 105           H        SER 105   6.585  -7.929   5.130
  878    HA   SER 105           HA       SER 105   7.060 -10.596   4.063
  879   1HB   SER 105          2HB       SER 105   8.803  -8.634   4.679
  880   2HB   SER 105          1HB       SER 105   8.811  -9.523   6.203
  881    HG   SER 105           HG       SER 105   9.274 -10.654   3.637
  882    H    GLN 106           H        GLN 106   4.796  -9.934   5.962
  883    HA   GLN 106           HA       GLN 106   5.519 -11.738   8.168
  884   1HB   GLN 106          2HB       GLN 106   4.336  -9.255   8.270
  885   2HB   GLN 106          1HB       GLN 106   2.955 -10.338   8.374
  886   1HG   GLN 106          2HG       GLN 106   3.702 -11.304  10.354
  887   2HG   GLN 106          1HG       GLN 106   5.350 -10.724  10.125
  888   1HE2  GLN 106          1HE2      GLN 106   2.066  -9.381  10.368
  889   2HE2  GLN 106          2HE2      GLN 106   2.496  -8.088  11.428
  890    H    GLU 107           H        GLU 107   3.067 -11.072   5.703
  891    HA   GLU 107           HA       GLU 107   1.379 -13.265   6.326
  892   1HB   GLU 107          2HB       GLU 107   0.403 -12.857   4.076
  893   2HB   GLU 107          1HB       GLU 107   0.504 -11.407   5.063
  894   1HG   GLU 107          2HG       GLU 107   2.009 -10.413   3.701
  895   2HG   GLU 107          1HG       GLU 107   2.784 -11.928   3.261
  896    H    ARG 108           H        ARG 108   4.167 -12.886   4.200
  897    HA   ARG 108           HA       ARG 108   3.978 -15.745   3.511
  898   1HB   ARG 108          2HB       ARG 108   5.275 -13.479   1.985
  899   2HB   ARG 108          1HB       ARG 108   5.368 -15.173   1.525
  900   1HG   ARG 108          2HG       ARG 108   2.630 -14.323   1.927
  901   2HG   ARG 108          1HG       ARG 108   3.461 -13.335   0.723
  902   1HD   ARG 108          2HD       ARG 108   4.260 -15.851   0.032
  903   2HD   ARG 108          1HD       ARG 108   2.622 -16.143   0.616
  904    HE   ARG 108           HE       ARG 108   2.496 -13.967  -1.103
  905   1HH1  ARG 108          1HH1      ARG 108   3.313 -17.368  -1.292
  906   2HH1  ARG 108          2HH1      ARG 108   2.824 -17.521  -2.944
  907   1HH2  ARG 108          1HH2      ARG 108   1.852 -14.175  -3.282
  908   2HH2  ARG 108          2HH2      ARG 108   1.995 -15.707  -4.075
  909    H    LEU 109           H        LEU 109   5.010 -16.018   5.678
  910    HA   LEU 109           HA       LEU 109   7.922 -15.586   5.538
  911   1HB   LEU 109          2HB       LEU 109   6.372 -14.593   7.436
  912   2HB   LEU 109          1HB       LEU 109   6.544 -16.201   8.111
  913    HG   LEU 109           HG       LEU 109   9.054 -14.857   7.298
  914   1HD1  LEU 109          1HD1      LEU 109   8.877 -13.841   9.761
  915   2HD1  LEU 109          2HD1      LEU 109   7.182 -13.732   9.289
  916   3HD1  LEU 109          3HD1      LEU 109   8.421 -12.940   8.316
  917   1HD2  LEU 109          1HD2      LEU 109   9.927 -15.971   9.209
  918   2HD2  LEU 109          2HD2      LEU 109   8.888 -17.117   8.362
  919   3HD2  LEU 109          3HD2      LEU 109   8.310 -16.318   9.823
  920    H    GLU 110           H        GLU 110   8.610 -17.438   4.577
  921    HA   GLU 110           HA       GLU 110   7.589 -20.022   5.087
  922   1HB   GLU 110          2HB       GLU 110   8.899 -19.329   3.062
  923   2HB   GLU 110          1HB       GLU 110  10.345 -19.320   4.061
  924   1HG   GLU 110          2HG       GLU 110  10.541 -21.402   3.215
  925   2HG   GLU 110          1HG       GLU 110   9.514 -21.787   4.595
  926    H    HIS 111           H        HIS 111  10.315 -18.220   6.453
  927    HA   HIS 111           HA       HIS 111  10.230 -19.765   8.860
  928   1HB   HIS 111          2HB       HIS 111  11.549 -21.257   7.340
  929   2HB   HIS 111          1HB       HIS 111  12.750 -19.978   7.198
  930    HD1  HIS 111           1HD      HIS 111  13.712 -19.197   9.712
  931    HD2  HIS 111           2HD      HIS 111  12.133 -23.019   9.296
  932    HE1  HIS 111           1HE      HIS 111  14.615 -20.510  11.654
  933    HE2  HIS 111           2HE      HIS 111  13.727 -22.845  11.326
  934    H    HIS 112           H        HIS 112  12.507 -17.755   6.974
  935    HA   HIS 112           HA       HIS 112  12.382 -15.684   9.005
  936   1HB   HIS 112          2HB       HIS 112  14.734 -17.449   8.617
  937   2HB   HIS 112          1HB       HIS 112  15.072 -15.730   8.759
  938    HD1  HIS 112           1HD      HIS 112  16.063 -17.642  10.914
  939    HD2  HIS 112           2HD      HIS 112  12.415 -15.663  11.106
  940    HE1  HIS 112           1HE      HIS 112  15.469 -17.563  13.355
  941    HE2  HIS 112           2HE      HIS 112  13.206 -16.457  13.434
  942    H    HIS 113           H        HIS 113  14.696 -16.487   6.402
  943    HA   HIS 113           HA       HIS 113  13.910 -13.986   5.049
  944   1HB   HIS 113          2HB       HIS 113  16.470 -14.840   5.987
  945   2HB   HIS 113          1HB       HIS 113  16.521 -14.793   4.229
  946    HD1  HIS 113           1HD      HIS 113  16.001 -12.439   3.112
  947    HD2  HIS 113           2HD      HIS 113  16.518 -12.395   7.234
  948    HE1  HIS 113           1HE      HIS 113  16.371 -10.029   3.714
  949    HE2  HIS 113           2HE      HIS 113  16.620 -10.018   6.222
  950    H    HIS 114           H        HIS 114  15.127 -14.235   2.650
  951    HA   HIS 114           HA       HIS 114  14.141 -16.779   1.551
  952   1HB   HIS 114          2HB       HIS 114  13.742 -14.007   0.414
  953   2HB   HIS 114          1HB       HIS 114  13.419 -15.490  -0.477
  954    HD1  HIS 114           1HD      HIS 114  11.872 -13.124   1.818
  955    HD2  HIS 114           2HD      HIS 114  11.305 -17.103   0.757
  956    HE1  HIS 114           1HE      HIS 114   9.554 -13.707   2.605
  957    HE2  HIS 114           2HE      HIS 114   9.207 -16.096   1.887
  958    H    HIS 115           H        HIS 115  15.957 -13.888   0.459
  959    HA   HIS 115           HA       HIS 115  18.389 -15.231   0.074
  960   1HB   HIS 115          2HB       HIS 115  18.421 -15.260  -2.432
  961   2HB   HIS 115          1HB       HIS 115  17.331 -16.439  -1.714
  962    HD1  HIS 115           1HD      HIS 115  14.921 -16.336  -2.399
  963    HD2  HIS 115           2HD      HIS 115  17.062 -12.981  -3.587
  964    HE1  HIS 115           1HE      HIS 115  13.373 -15.052  -3.906
  965    HE2  HIS 115           2HE      HIS 115  14.631 -12.940  -4.462
  966    H    HIS 116           H        HIS 116  20.006 -13.791  -0.223
  967    HA   HIS 116           HA       HIS 116  21.096 -11.818  -0.437
  968   1HB   HIS 116          2HB       HIS 116  18.921 -11.577  -2.452
  969   2HB   HIS 116          1HB       HIS 116  19.777 -10.103  -2.022
  970    HD1  HIS 116           1HD      HIS 116  21.974  -9.718  -3.138
  971    HD2  HIS 116           2HD      HIS 116  20.702 -13.660  -3.489
  972    HE1  HIS 116           1HE      HIS 116  23.615 -10.817  -4.692
  973    HE2  HIS 116           2HE      HIS 116  22.894 -13.230  -4.793
  Start of MODEL    2
    1   1H    MET   0          1HT       MET   0   0.811 -24.980  -1.512
    2   2H    MET   0          2HT       MET   0   1.609 -24.858  -3.027
    3   3H    MET   0          3HT       MET   0   1.622 -26.343  -2.166
    4    HA   MET   0           HA       MET   0   0.083 -26.607  -3.848
    5   1HB   MET   0          2HB       MET   0  -1.245 -25.883  -1.225
    6   2HB   MET   0          1HB       MET   0  -2.065 -26.727  -2.532
    7   1HG   MET   0          2HG       MET   0   0.014 -28.351  -2.285
    8   2HG   MET   0          1HG       MET   0   0.011 -27.692  -0.650
    9   1HE   MET   0          1HE       MET   0  -1.981 -31.281  -1.793
   10   2HE   MET   0          2HE       MET   0  -0.574 -30.428  -2.429
   11   3HE   MET   0          3HE       MET   0  -2.163 -30.162  -3.146
   12    H    GLU   1           H        GLU   1  -1.706 -25.863  -5.104
   13    HA   GLU   1           HA       GLU   1  -2.092 -22.943  -5.005
   14   1HB   GLU   1          2HB       GLU   1  -0.787 -23.833  -6.978
   15   2HB   GLU   1          1HB       GLU   1  -2.249 -24.670  -7.481
   16   1HG   GLU   1          2HG       GLU   1  -3.251 -22.776  -8.202
   17   2HG   GLU   1          1HG       GLU   1  -2.505 -21.776  -6.959
   18    H    GLU   2           H        GLU   2  -4.151 -22.127  -5.541
   19    HA   GLU   2           HA       GLU   2  -6.417 -22.041  -5.571
   20   1HB   GLU   2          2HB       GLU   2  -5.841 -24.590  -6.855
   21   2HB   GLU   2          1HB       GLU   2  -7.366 -24.625  -5.980
   22   1HG   GLU   2          2HG       GLU   2  -6.738 -22.374  -7.843
   23   2HG   GLU   2          1HG       GLU   2  -7.338 -23.911  -8.460
   24    H    VAL   3           H        VAL   3  -8.151 -22.337  -4.170
   25    HA   VAL   3           HA       VAL   3  -9.240 -22.862  -2.242
   26    HB   VAL   3           HB       VAL   3  -7.337 -25.161  -1.828
   27   1HG1  VAL   3          1HG1      VAL   3  -8.646 -24.947   0.072
   28   2HG1  VAL   3          2HG1      VAL   3  -9.543 -26.125  -0.886
   29   3HG1  VAL   3          3HG1      VAL   3 -10.068 -24.442  -0.839
   30   1HG2  VAL   3          1HG2      VAL   3  -8.042 -25.643  -3.976
   31   2HG2  VAL   3          2HG2      VAL   3  -9.615 -24.881  -3.745
   32   3HG2  VAL   3          3HG2      VAL   3  -9.275 -26.446  -3.007
   33    H    GLU   4           H        GLU   4  -6.206 -21.693  -2.414
   34    HA   GLU   4           HA       GLU   4  -6.061 -21.261   0.492
   35   1HB   GLU   4          2HB       GLU   4  -3.601 -21.334   0.356
   36   2HB   GLU   4          1HB       GLU   4  -4.327 -22.871  -0.094
   37   1HG   GLU   4          2HG       GLU   4  -3.088 -22.815  -1.929
   38   2HG   GLU   4          1HG       GLU   4  -4.095 -21.481  -2.487
   39    H    GLN   5           H        GLN   5  -6.896 -19.720  -2.119
   40    HA   GLN   5           HA       GLN   5  -5.089 -17.467  -2.053
   41   1HB   GLN   5          2HB       GLN   5  -7.726 -17.803  -3.495
   42   2HB   GLN   5          1HB       GLN   5  -6.596 -16.476  -3.724
   43   1HG   GLN   5          2HG       GLN   5  -5.106 -17.755  -4.893
   44   2HG   GLN   5          1HG       GLN   5  -5.619 -19.254  -4.121
   45   1HE2  GLN   5          1HE2      GLN   5  -8.043 -19.732  -4.598
   46   2HE2  GLN   5          2HE2      GLN   5  -8.486 -19.625  -6.264
   47    H    THR   6           H        THR   6  -8.073 -18.388  -0.541
   48    HA   THR   6           HA       THR   6  -8.913 -15.751   0.150
   49    HB   THR   6           HB       THR   6  -9.968 -17.595   2.028
   50    HG1  THR   6           1HG      THR   6 -10.252 -18.620  -0.587
   51   1HG2  THR   6          1HG2      THR   6 -11.553 -16.128   1.414
   52   2HG2  THR   6          2HG2      THR   6 -11.951 -17.390   0.249
   53   3HG2  THR   6          3HG2      THR   6 -10.964 -16.013  -0.244
   54    HA   PRO   7           HA       PRO   7  -7.030 -17.083   4.544
   55   1HB   PRO   7          2HB       PRO   7  -4.784 -18.682   3.408
   56   2HB   PRO   7          1HB       PRO   7  -5.673 -18.904   4.919
   57   1HG   PRO   7          2HG       PRO   7  -6.137 -20.488   2.834
   58   2HG   PRO   7          1HG       PRO   7  -7.466 -19.934   3.868
   59   1HD   PRO   7          2HD       PRO   7  -6.679 -19.020   1.141
   60   2HD   PRO   7          1HD       PRO   7  -8.295 -19.182   1.854
   61    H    LEU   8           H        LEU   8  -4.859 -16.885   1.710
   62    HA   LEU   8           HA       LEU   8  -2.970 -15.198   3.006
   63   1HB   LEU   8          2HB       LEU   8  -1.962 -14.908   0.824
   64   2HB   LEU   8          1HB       LEU   8  -2.358 -16.593   1.093
   65    HG   LEU   8           HG       LEU   8  -4.513 -16.048  -0.266
   66   1HD1  LEU   8          1HD1      LEU   8  -3.282 -14.256  -2.030
   67   2HD1  LEU   8          2HD1      LEU   8  -3.082 -13.559  -0.424
   68   3HD1  LEU   8          3HD1      LEU   8  -4.693 -13.964  -1.014
   69   1HD2  LEU   8          1HD2      LEU   8  -2.791 -17.583  -1.005
   70   2HD2  LEU   8          2HD2      LEU   8  -1.782 -16.236  -1.534
   71   3HD2  LEU   8          3HD2      LEU   8  -3.310 -16.568  -2.352
   72    H    GLN   9           H        GLN   9  -5.828 -14.610   1.038
   73    HA   GLN   9           HA       GLN   9  -5.440 -11.879   0.515
   74   1HB   GLN   9          2HB       GLN   9  -7.153 -13.321  -0.577
   75   2HB   GLN   9          1HB       GLN   9  -8.071 -13.315   0.923
   76   1HG   GLN   9          2HG       GLN   9  -7.843 -10.682   0.568
   77   2HG   GLN   9          1HG       GLN   9  -7.735 -11.200  -1.114
   78   1HE2  GLN   9          1HE2      GLN   9  -9.718 -10.236  -1.606
   79   2HE2  GLN   9          2HE2      GLN   9 -11.219 -10.927  -1.101
   80    H    GLU  10           H        GLU  10  -6.933 -13.542   3.267
   81    HA   GLU  10           HA       GLU  10  -7.935 -11.283   4.599
   82   1HB   GLU  10          2HB       GLU  10  -8.436 -13.699   5.140
   83   2HB   GLU  10          1HB       GLU  10  -6.864 -13.780   5.922
   84   1HG   GLU  10          2HG       GLU  10  -7.572 -12.697   7.744
   85   2HG   GLU  10          1HG       GLU  10  -8.527 -11.546   6.815
   86    H    ALA  11           H        ALA  11  -4.770 -12.877   4.755
   87    HA   ALA  11           HA       ALA  11  -3.657 -11.335   6.824
   88   1HB   ALA  11          1HB       ALA  11  -2.597 -13.381   6.110
   89   2HB   ALA  11          2HB       ALA  11  -1.468 -12.043   5.901
   90   3HB   ALA  11          3HB       ALA  11  -2.308 -12.714   4.503
   91    H    LEU  12           H        LEU  12  -3.651 -10.871   3.297
   92    HA   LEU  12           HA       LEU  12  -2.014  -8.620   3.170
   93   1HB   LEU  12          2HB       LEU  12  -4.254  -9.632   1.455
   94   2HB   LEU  12          1HB       LEU  12  -3.543  -8.066   1.119
   95    HG   LEU  12           HG       LEU  12  -2.018 -10.674   1.186
   96   1HD1  LEU  12          1HD1      LEU  12  -2.653  -9.031  -1.246
   97   2HD1  LEU  12          2HD1      LEU  12  -3.723 -10.317  -0.685
   98   3HD1  LEU  12          3HD1      LEU  12  -2.064 -10.691  -1.154
   99   1HD2  LEU  12          1HD2      LEU  12  -0.316  -9.232   1.536
  100   2HD2  LEU  12          2HD2      LEU  12  -1.234  -7.839   0.962
  101   3HD2  LEU  12          3HD2      LEU  12  -0.482  -8.938  -0.195
  102    H    ASN  13           H        ASN  13  -5.534  -8.834   3.654
  103    HA   ASN  13           HA       ASN  13  -5.996  -6.040   3.735
  104   1HB   ASN  13          2HB       ASN  13  -7.616  -8.242   5.041
  105   2HB   ASN  13          1HB       ASN  13  -8.166  -6.602   4.718
  106   1HD2  ASN  13          1HD2      ASN  13  -9.003  -9.363   3.792
  107   2HD2  ASN  13          2HD2      ASN  13  -9.105  -9.212   2.073
  108    H    GLN  14           H        GLN  14  -5.288  -8.441   6.234
  109    HA   GLN  14           HA       GLN  14  -5.654  -6.747   8.462
  110   1HB   GLN  14          2HB       GLN  14  -4.864  -9.432   8.004
  111   2HB   GLN  14          1HB       GLN  14  -3.613  -8.690   8.992
  112   1HG   GLN  14          2HG       GLN  14  -4.981  -8.429  10.780
  113   2HG   GLN  14          1HG       GLN  14  -6.425  -8.224   9.789
  114   1HE2  GLN  14          1HE2      GLN  14  -7.042 -10.256   8.544
  115   2HE2  GLN  14          2HE2      GLN  14  -6.981 -11.737   9.430
  116    H    LEU  15           H        LEU  15  -2.890  -7.375   6.372
  117    HA   LEU  15           HA       LEU  15  -0.989  -5.974   7.963
  118   1HB   LEU  15          2HB       LEU  15  -1.075  -7.132   5.231
  119   2HB   LEU  15          1HB       LEU  15   0.114  -5.876   5.517
  120    HG   LEU  15           HG       LEU  15   1.118  -7.185   7.309
  121   1HD1  LEU  15          1HD1      LEU  15  -0.635  -9.510   6.642
  122   2HD1  LEU  15          2HD1      LEU  15  -1.166  -8.316   7.826
  123   3HD1  LEU  15          3HD1      LEU  15   0.330  -9.211   8.087
  124   1HD2  LEU  15          1HD2      LEU  15   1.875  -9.144   5.923
  125   2HD2  LEU  15          2HD2      LEU  15   2.047  -7.564   5.158
  126   3HD2  LEU  15          3HD2      LEU  15   0.718  -8.625   4.696
  127    H    MET  16           H        MET  16  -2.989  -5.102   5.168
  128    HA   MET  16           HA       MET  16  -1.957  -2.509   4.791
  129   1HB   MET  16          2HB       MET  16  -3.953  -4.121   3.612
  130   2HB   MET  16          1HB       MET  16  -4.748  -2.629   4.095
  131   1HG   MET  16          2HG       MET  16  -4.063  -2.021   2.027
  132   2HG   MET  16          1HG       MET  16  -2.631  -1.549   2.942
  133   1HE   MET  16          1HE       MET  16  -0.774  -1.620   1.915
  134   2HE   MET  16          2HE       MET  16  -0.102  -2.795   0.785
  135   3HE   MET  16          3HE       MET  16  -0.061  -3.116   2.519
  136    H    ARG  17           H        ARG  17  -4.775  -3.646   6.672
  137    HA   ARG  17           HA       ARG  17  -5.576  -1.068   7.508
  138   1HB   ARG  17          2HB       ARG  17  -6.888  -2.226   9.249
  139   2HB   ARG  17          1HB       ARG  17  -7.128  -2.918   7.653
  140   1HG   ARG  17          2HG       ARG  17  -6.354  -4.914   8.279
  141   2HG   ARG  17          1HG       ARG  17  -5.005  -4.216   9.172
  142   1HD   ARG  17          2HD       ARG  17  -6.845  -3.537  10.884
  143   2HD   ARG  17          1HD       ARG  17  -7.789  -4.798  10.089
  144    HE   ARG  17           HE       ARG  17  -5.456  -6.042  10.638
  145   1HH1  ARG  17          1HH1      ARG  17  -7.672  -4.186  12.616
  146   2HH1  ARG  17          2HH1      ARG  17  -7.294  -5.051  14.066
  147   1HH2  ARG  17          1HH2      ARG  17  -4.966  -7.178  12.551
  148   2HH2  ARG  17          2HH2      ARG  17  -5.760  -6.750  14.029
  149    H    GLN  18           H        GLN  18  -3.287  -3.400   8.832
  150    HA   GLN  18           HA       GLN  18  -2.874  -2.121  11.319
  151   1HB   GLN  18          2HB       GLN  18  -1.716  -4.323   9.848
  152   2HB   GLN  18          1HB       GLN  18  -0.457  -3.356  10.603
  153   1HG   GLN  18          2HG       GLN  18  -2.029  -3.544  12.700
  154   2HG   GLN  18          1HG       GLN  18  -2.615  -4.972  11.849
  155   1HE2  GLN  18          1HE2      GLN  18  -0.324  -5.908  10.682
  156   2HE2  GLN  18          2HE2      GLN  18   0.794  -6.400  11.904
  157    H    LEU  19           H        LEU  19  -1.085  -1.933   8.236
  158    HA   LEU  19           HA       LEU  19   0.760   0.014   9.169
  159   1HB   LEU  19          2HB       LEU  19   1.335   0.323   6.783
  160   2HB   LEU  19          1HB       LEU  19   1.380  -1.348   7.306
  161    HG   LEU  19           HG       LEU  19  -1.057  -1.401   6.309
  162   1HD1  LEU  19          1HD1      LEU  19  -0.430   1.207   5.728
  163   2HD1  LEU  19          2HD1      LEU  19  -1.688   0.252   4.950
  164   3HD1  LEU  19          3HD1      LEU  19  -0.093   0.373   4.212
  165   1HD2  LEU  19          1HD2      LEU  19   0.249  -2.892   5.252
  166   2HD2  LEU  19          2HD2      LEU  19   1.611  -1.779   5.144
  167   3HD2  LEU  19          3HD2      LEU  19   0.290  -1.672   3.981
  168    H    GLN  20           H        GLN  20  -2.376   0.187   7.599
  169    HA   GLN  20           HA       GLN  20  -2.300   2.955   6.991
  170   1HB   GLN  20          2HB       GLN  20  -3.856   1.335   5.931
  171   2HB   GLN  20          1HB       GLN  20  -4.719   1.206   7.458
  172   1HG   GLN  20          2HG       GLN  20  -4.734   3.893   7.060
  173   2HG   GLN  20          1HG       GLN  20  -4.807   3.292   5.404
  174   1HE2  GLN  20          1HE2      GLN  20  -6.734   4.515   7.526
  175   2HE2  GLN  20          2HE2      GLN  20  -8.153   3.548   7.340
  176    H    ARG  21           H        ARG  21  -3.355   1.117   9.802
  177    HA   ARG  21           HA       ARG  21  -4.625   3.229  11.180
  178   1HB   ARG  21          2HB       ARG  21  -3.924   0.480  11.686
  179   2HB   ARG  21          1HB       ARG  21  -3.565   1.465  13.098
  180   1HG   ARG  21          2HG       ARG  21  -5.698   1.202  13.647
  181   2HG   ARG  21          1HG       ARG  21  -6.064   2.344  12.351
  182   1HD   ARG  21          2HD       ARG  21  -5.691  -0.466  11.532
  183   2HD   ARG  21          1HD       ARG  21  -7.114  -0.136  12.517
  184    HE   ARG  21           HE       ARG  21  -6.654   0.677   9.794
  185   1HH1  ARG  21          1HH1      ARG  21  -8.452   1.349  12.724
  186   2HH1  ARG  21          2HH1      ARG  21  -9.750   2.140  11.895
  187   1HH2  ARG  21          1HH2      ARG  21  -8.369   1.723   8.707
  188   2HH2  ARG  21          2HH2      ARG  21  -9.702   2.352   9.615
  189    H    LYS  22           H        LYS  22  -1.306   2.623  10.593
  190    HA   LYS  22           HA       LYS  22   0.065   3.440  12.791
  191   1HB   LYS  22          2HB       LYS  22   0.546   3.985   9.875
  192   2HB   LYS  22          1HB       LYS  22   1.656   4.583  11.098
  193   1HG   LYS  22          2HG       LYS  22   0.892   1.694  11.026
  194   2HG   LYS  22          1HG       LYS  22   2.137   2.327   9.947
  195   1HD   LYS  22          2HD       LYS  22   3.603   2.736  11.650
  196   2HD   LYS  22          1HD       LYS  22   2.322   3.013  12.832
  197   1HE   LYS  22          2HE       LYS  22   1.849   0.462  12.455
  198   2HE   LYS  22          1HE       LYS  22   3.518   0.447  11.886
  199   1HZ   LYS  22          1HZ       LYS  22   2.702   1.531  14.525
  200   2HZ   LYS  22          2HZ       LYS  22   4.274   1.229  13.979
  201   3HZ   LYS  22          3HZ       LYS  22   3.226  -0.062  14.291
  202    H    ASP  23           H        ASP  23  -0.534   5.833  10.211
  203    HA   ASP  23           HA       ASP  23  -1.930   7.737  11.579
  204   1HB   ASP  23          2HB       ASP  23   0.577   7.534  12.784
  205   2HB   ASP  23          1HB       ASP  23   0.678   8.974  11.780
  206    HA   PRO  24           HA       PRO  24   0.687   9.892   8.016
  207   1HB   PRO  24          2HB       PRO  24   1.887   7.421   6.890
  208   2HB   PRO  24          1HB       PRO  24   2.593   9.029   7.083
  209   1HG   PRO  24          2HG       PRO  24   3.319   7.037   8.688
  210   2HG   PRO  24          1HG       PRO  24   3.101   8.678   9.323
  211   1HD   PRO  24          2HD       PRO  24   1.284   6.318   9.529
  212   2HD   PRO  24          1HD       PRO  24   1.692   7.546  10.745
  213    H    SER  25           H        SER  25  -0.678   6.653   7.760
  214    HA   SER  25           HA       SER  25  -1.544   6.811   5.080
  215   1HB   SER  25          2HB       SER  25  -2.091   5.045   7.398
  216   2HB   SER  25          1HB       SER  25  -3.301   5.058   6.117
  217    HG   SER  25           HG       SER  25  -0.929   3.844   6.148
  218    H    ALA  26           H        ALA  26  -2.822   8.180   8.000
  219    HA   ALA  26           HA       ALA  26  -5.528   8.393   7.452
  220   1HB   ALA  26          1HB       ALA  26  -4.205  10.778   8.608
  221   2HB   ALA  26          2HB       ALA  26  -4.016   9.248   9.463
  222   3HB   ALA  26          3HB       ALA  26  -5.627   9.893   9.155
  223    H    PHE  27           H        PHE  27  -2.854  10.157   6.032
  224    HA   PHE  27           HA       PHE  27  -4.565  12.117   4.771
  225   1HB   PHE  27          2HB       PHE  27  -1.681  11.633   4.060
  226   2HB   PHE  27          1HB       PHE  27  -2.604  13.124   3.945
  227    HD1  PHE  27           2HD      PHE  27  -3.803  13.400   6.563
  228    HD2  PHE  27           1HD      PHE  27   0.076  12.012   5.498
  229    HE1  PHE  27           2HE      PHE  27  -2.956  14.090   8.767
  230    HE2  PHE  27           1HE      PHE  27   0.930  12.698   7.701
  231    HZ   PHE  27           HZ       PHE  27  -0.586  13.740   9.337
  232    H    PHE  28           H        PHE  28  -3.131   9.042   3.938
  233    HA   PHE  28           HA       PHE  28  -4.162   9.329   1.187
  234   1HB   PHE  28          2HB       PHE  28  -2.143   7.241   1.943
  235   2HB   PHE  28          1HB       PHE  28  -2.454   7.964   0.372
  236    HD1  PHE  28           1HD      PHE  28  -1.083   8.741   3.743
  237    HD2  PHE  28           2HD      PHE  28  -1.119   9.694  -0.407
  238    HE1  PHE  28           1HE      PHE  28   0.792  10.296   4.088
  239    HE2  PHE  28           2HE      PHE  28   0.756  11.248  -0.066
  240    HZ   PHE  28           HZ       PHE  28   1.715  11.551   2.181
  241    H    SER  29           H        SER  29  -5.681   8.529   3.569
  242    HA   SER  29           HA       SER  29  -6.157   5.682   3.145
  243   1HB   SER  29          2HB       SER  29  -5.973   6.417   5.457
  244   2HB   SER  29          1HB       SER  29  -7.256   7.601   5.215
  245    HG   SER  29           HG       SER  29  -8.730   5.986   5.080
  246    H    PHE  30           H        PHE  30  -7.070   8.175   1.429
  247    HA   PHE  30           HA       PHE  30  -9.661   7.021   0.796
  248   1HB   PHE  30          2HB       PHE  30  -9.370   9.508   2.214
  249   2HB   PHE  30          1HB       PHE  30 -10.049   9.822   0.620
  250    HD1  PHE  30           2HD      PHE  30 -10.506   7.700   3.637
  251    HD2  PHE  30           1HD      PHE  30 -12.309   9.486   0.221
  252    HE1  PHE  30           2HE      PHE  30 -12.724   7.010   4.451
  253    HE2  PHE  30           1HE      PHE  30 -14.528   8.801   1.029
  254    HZ   PHE  30           HZ       PHE  30 -14.739   7.561   3.146
  255    HA   PRO  31           HA       PRO  31  -8.275   7.482  -3.368
  256   1HB   PRO  31          2HB       PRO  31 -11.076   8.326  -3.951
  257   2HB   PRO  31          1HB       PRO  31 -10.104   7.058  -4.704
  258   1HG   PRO  31          2HG       PRO  31 -12.043   6.444  -2.987
  259   2HG   PRO  31          1HG       PRO  31 -10.514   5.545  -2.995
  260   1HD   PRO  31          2HD       PRO  31 -11.480   7.630  -1.089
  261   2HD   PRO  31          1HD       PRO  31 -10.510   6.177  -0.777
  262    H    VAL  32           H        VAL  32  -6.951   9.255  -3.420
  263    HA   VAL  32           HA       VAL  32  -7.644  11.884  -2.901
  264    HB   VAL  32           HB       VAL  32  -5.673  12.467  -4.460
  265   1HG1  VAL  32          1HG1      VAL  32  -5.384  12.584  -2.128
  266   2HG1  VAL  32          2HG1      VAL  32  -4.061  11.578  -2.719
  267   3HG1  VAL  32          3HG1      VAL  32  -5.461  10.831  -1.948
  268   1HG2  VAL  32          1HG2      VAL  32  -6.009   9.823  -5.186
  269   2HG2  VAL  32          2HG2      VAL  32  -4.580   9.812  -4.156
  270   3HG2  VAL  32          3HG2      VAL  32  -4.636  10.854  -5.577
  271    H    THR  33           H        THR  33  -8.150  13.663  -4.150
  272    HA   THR  33           HA       THR  33  -8.941  13.204  -6.929
  273    HB   THR  33           HB       THR  33 -10.815  14.891  -5.402
  274    HG1  THR  33           1HG      THR  33 -11.824  13.212  -4.369
  275   1HG2  THR  33          1HG2      THR  33 -11.946  14.500  -7.259
  276   2HG2  THR  33          2HG2      THR  33 -12.212  12.862  -6.661
  277   3HG2  THR  33          3HG2      THR  33 -10.854  13.196  -7.734
  278    H    ASP  34           H        ASP  34 -10.064  15.682  -7.445
  279    HA   ASP  34           HA       ASP  34  -7.734  17.323  -7.612
  280   1HB   ASP  34          2HB       ASP  34 -10.033  17.081  -9.079
  281   2HB   ASP  34          1HB       ASP  34 -10.307  18.597  -8.230
  282    H    PHE  35           H        PHE  35  -9.845  16.868  -5.079
  283    HA   PHE  35           HA       PHE  35  -9.406  19.600  -4.069
  284   1HB   PHE  35          2HB       PHE  35 -11.762  19.284  -4.327
  285   2HB   PHE  35          1HB       PHE  35 -11.692  17.677  -3.616
  286    HD1  PHE  35           1HD      PHE  35 -11.211  17.453  -1.166
  287    HD2  PHE  35           2HD      PHE  35 -12.079  21.192  -3.002
  288    HE1  PHE  35           1HE      PHE  35 -11.758  18.406   1.040
  289    HE2  PHE  35           2HE      PHE  35 -12.624  22.152  -0.804
  290    HZ   PHE  35           HZ       PHE  35 -12.463  20.760   1.221
  291    H    ILE  36           H        ILE  36  -9.624  16.167  -3.225
  292    HA   ILE  36           HA       ILE  36  -8.667  16.450  -0.571
  293    HB   ILE  36           HB       ILE  36  -9.041  14.139  -2.441
  294   1HG1  ILE  36          2HG1      ILE  36 -10.300  13.510  -0.132
  295   2HG1  ILE  36          1HG1      ILE  36 -10.341  15.266  -0.032
  296   1HG2  ILE  36          1HG2      ILE  36  -7.086  13.390  -1.447
  297   2HG2  ILE  36          2HG2      ILE  36  -8.349  12.692  -0.434
  298   3HG2  ILE  36          3HG2      ILE  36  -7.477  14.125   0.109
  299   1HD1  ILE  36          1HD1      ILE  36 -11.351  15.266  -2.330
  300   2HD1  ILE  36          2HD1      ILE  36 -12.354  14.578  -1.054
  301   3HD1  ILE  36          3HD1      ILE  36 -11.505  13.515  -2.177
  302    H    ALA  37           H        ALA  37  -7.127  15.734  -3.674
  303    HA   ALA  37           HA       ALA  37  -4.488  15.772  -2.374
  304   1HB   ALA  37          1HB       ALA  37  -5.542  14.497  -4.850
  305   2HB   ALA  37          2HB       ALA  37  -4.494  13.836  -3.597
  306   3HB   ALA  37          3HB       ALA  37  -3.841  14.955  -4.791
  307    HA   PRO  38           HA       PRO  38  -3.499  19.618  -4.274
  308   1HB   PRO  38          2HB       PRO  38  -0.733  18.987  -4.634
  309   2HB   PRO  38          1HB       PRO  38  -1.468  19.941  -3.347
  310   1HG   PRO  38          2HG       PRO  38  -0.297  17.454  -3.026
  311   2HG   PRO  38          1HG       PRO  38  -1.441  18.198  -1.898
  312   1HD   PRO  38          2HD       PRO  38  -1.888  16.071  -3.927
  313   2HD   PRO  38          1HD       PRO  38  -2.668  16.322  -2.356
  314    H    GLY  39           H        GLY  39  -3.521  16.924  -5.991
  315   1HA   GLY  39          2HA       GLY  39  -4.072  17.489  -8.423
  316   2HA   GLY  39          1HA       GLY  39  -2.432  18.125  -8.446
  317    H    TYR  40           H        TYR  40  -3.465  15.200  -6.760
  318    HA   TYR  40           HA       TYR  40  -1.374  13.617  -7.654
  319   1HB   TYR  40          2HB       TYR  40  -3.990  13.108  -6.370
  320   2HB   TYR  40          1HB       TYR  40  -3.275  11.736  -7.210
  321    HD1  TYR  40           2HD      TYR  40  -1.906  14.484  -5.073
  322    HD2  TYR  40           1HD      TYR  40  -2.231  10.287  -5.731
  323    HE1  TYR  40           2HE      TYR  40  -0.457  14.070  -3.133
  324    HE2  TYR  40           1HE      TYR  40  -0.784   9.868  -3.796
  325    HH   TYR  40           HH       TYR  40   0.055  12.325  -1.555
  326    H    SER  41           H        SER  41  -4.712  13.698  -8.913
  327    HA   SER  41           HA       SER  41  -4.232  11.890 -11.041
  328   1HB   SER  41          2HB       SER  41  -6.404  13.938 -10.588
  329   2HB   SER  41          1HB       SER  41  -6.390  12.838 -11.967
  330    HG   SER  41           HG       SER  41  -6.780  11.171 -10.667
  331    H    MET  42           H        MET  42  -3.727  15.328 -10.728
  332    HA   MET  42           HA       MET  42  -3.626  15.919 -13.515
  333   1HB   MET  42          2HB       MET  42  -4.091  17.578 -11.699
  334   2HB   MET  42          1HB       MET  42  -2.397  17.481 -11.242
  335   1HG   MET  42          2HG       MET  42  -1.682  18.546 -13.176
  336   2HG   MET  42          1HG       MET  42  -3.182  18.202 -14.037
  337   1HE   MET  42          1HE       MET  42  -1.517  20.724 -13.922
  338   2HE   MET  42          2HE       MET  42  -1.356  21.265 -12.250
  339   3HE   MET  42          3HE       MET  42  -2.420  22.130 -13.361
  340    H    ILE  43           H        ILE  43  -1.327  14.574 -11.306
  341    HA   ILE  43           HA       ILE  43   0.810  14.961 -13.301
  342    HB   ILE  43           HB       ILE  43   1.218  16.072 -11.117
  343   1HG1  ILE  43          2HG1      ILE  43   3.440  14.497 -10.760
  344   2HG1  ILE  43          1HG1      ILE  43   2.967  14.095 -12.407
  345   1HG2  ILE  43          1HG2      ILE  43   0.565  13.411 -10.110
  346   2HG2  ILE  43          2HG2      ILE  43   0.508  14.976  -9.308
  347   3HG2  ILE  43          3HG2      ILE  43   2.030  14.095  -9.412
  348   1HD1  ILE  43          1HD1      ILE  43   3.760  16.751 -11.283
  349   2HD1  ILE  43          2HD1      ILE  43   2.883  16.612 -12.805
  350   3HD1  ILE  43          3HD1      ILE  43   4.469  15.860 -12.630
  351    H    ILE  44           H        ILE  44  -0.865  12.692 -11.246
  352    HA   ILE  44           HA       ILE  44   0.471  10.496 -12.626
  353    HB   ILE  44           HB       ILE  44   0.725  11.092  -9.869
  354   1HG1  ILE  44          2HG1      ILE  44   1.775   8.579 -10.223
  355   2HG1  ILE  44          1HG1      ILE  44   1.739   9.209 -11.862
  356   1HG2  ILE  44          1HG2      ILE  44   0.002   8.967  -8.839
  357   2HG2  ILE  44          2HG2      ILE  44  -0.855   8.567 -10.327
  358   3HG2  ILE  44          3HG2      ILE  44  -1.345   9.970  -9.376
  359   1HD1  ILE  44          1HD1      ILE  44   2.888  10.811  -9.620
  360   2HD1  ILE  44          2HD1      ILE  44   3.183  10.944 -11.354
  361   3HD1  ILE  44          3HD1      ILE  44   3.836   9.578 -10.450
  362    H    LYS  45           H        LYS  45  -0.960   9.578 -13.808
  363    HA   LYS  45           HA       LYS  45  -3.701   9.809 -13.749
  364   1HB   LYS  45          2HB       LYS  45  -1.824   7.826 -14.937
  365   2HB   LYS  45          1HB       LYS  45  -3.542   7.452 -14.953
  366   1HG   LYS  45          2HG       LYS  45  -3.427  10.067 -15.851
  367   2HG   LYS  45          1HG       LYS  45  -2.029   9.293 -16.599
  368   1HD   LYS  45          2HD       LYS  45  -4.640   7.859 -16.658
  369   2HD   LYS  45          1HD       LYS  45  -4.421   9.242 -17.731
  370   1HE   LYS  45          2HE       LYS  45  -3.838   7.072 -18.783
  371   2HE   LYS  45          1HE       LYS  45  -2.501   8.220 -18.754
  372   1HZ   LYS  45          1HZ       LYS  45  -2.846   6.095 -16.713
  373   2HZ   LYS  45          2HZ       LYS  45  -1.479   7.051 -16.990
  374   3HZ   LYS  45          3HZ       LYS  45  -1.933   5.879 -18.120
  375    H    HIS  46           H        HIS  46  -1.944   6.859 -12.702
  376    HA   HIS  46           HA       HIS  46  -4.241   6.257 -10.959
  377   1HB   HIS  46          2HB       HIS  46  -2.525   4.570 -12.687
  378   2HB   HIS  46          1HB       HIS  46  -3.016   3.870 -11.150
  379    HD1  HIS  46           1HD      HIS  46  -4.028   3.791 -14.475
  380    HD2  HIS  46           2HD      HIS  46  -6.074   4.428 -10.915
  381    HE1  HIS  46           1HE      HIS  46  -6.437   3.270 -14.982
  382    HE2  HIS  46           2HE      HIS  46  -7.666   3.735 -12.831
  383    HA   PRO  47           HA       PRO  47  -0.898   6.900  -7.886
  384   1HB   PRO  47          2HB       PRO  47  -2.464   7.996  -5.990
  385   2HB   PRO  47          1HB       PRO  47  -1.836   8.934  -7.349
  386   1HG   PRO  47          2HG       PRO  47  -4.559   7.788  -6.933
  387   2HG   PRO  47          1HG       PRO  47  -4.088   9.336  -7.653
  388   1HD   PRO  47          2HD       PRO  47  -4.799   7.088  -9.088
  389   2HD   PRO  47          1HD       PRO  47  -3.809   8.418  -9.720
  390    H    MET  48           H        MET  48  -4.098   5.475  -7.568
  391    HA   MET  48           HA       MET  48  -4.961   3.788  -6.318
  392   1HB   MET  48          2HB       MET  48  -2.114   2.811  -6.584
  393   2HB   MET  48          1HB       MET  48  -3.458   1.822  -6.030
  394   1HG   MET  48          2HG       MET  48  -3.112   3.069  -8.744
  395   2HG   MET  48          1HG       MET  48  -3.047   1.355  -8.339
  396   1HE   MET  48          1HE       MET  48  -5.284   0.992  -6.318
  397   2HE   MET  48          2HE       MET  48  -5.329  -0.111  -7.693
  398   3HE   MET  48          3HE       MET  48  -6.789   0.748  -7.205
  399    H    ASP  49           H        ASP  49  -5.350   5.157  -4.490
  400    HA   ASP  49           HA       ASP  49  -3.488   5.448  -2.363
  401   1HB   ASP  49          2HB       ASP  49  -6.504   5.711  -2.342
  402   2HB   ASP  49          1HB       ASP  49  -5.429   6.242  -1.052
  403    H    PHE  50           H        PHE  50  -4.088   4.695  -0.079
  404    HA   PHE  50           HA       PHE  50  -3.906   1.895   0.025
  405   1HB   PHE  50          2HB       PHE  50  -4.742   3.770   2.251
  406   2HB   PHE  50          1HB       PHE  50  -4.146   2.126   2.448
  407    HD1  PHE  50           2HD      PHE  50  -1.879   2.038   0.615
  408    HD2  PHE  50           1HD      PHE  50  -3.160   5.150   3.223
  409    HE1  PHE  50           2HE      PHE  50   0.424   2.894   0.719
  410    HE2  PHE  50           1HE      PHE  50  -0.859   6.011   3.330
  411    HZ   PHE  50           HZ       PHE  50   0.936   4.883   2.077
  412    H    SER  51           H        SER  51  -6.671   4.057   0.211
  413    HA   SER  51           HA       SER  51  -8.547   2.079   1.075
  414   1HB   SER  51          2HB       SER  51 -10.069   3.974  -0.185
  415   2HB   SER  51          1HB       SER  51  -9.539   4.076   1.494
  416    HG   SER  51           HG       SER  51  -8.416   5.300  -0.793
  417    H    THR  52           H        THR  52  -7.630   3.441  -2.071
  418    HA   THR  52           HA       THR  52  -9.569   2.106  -3.617
  419    HB   THR  52           HB       THR  52  -6.870   2.716  -4.756
  420    HG1  THR  52           1HG      THR  52  -8.755   4.698  -3.999
  421   1HG2  THR  52          1HG2      THR  52  -9.559   2.439  -5.759
  422   2HG2  THR  52          2HG2      THR  52  -8.024   2.462  -6.625
  423   3HG2  THR  52          3HG2      THR  52  -8.838   3.976  -6.235
  424    H    MET  53           H        MET  53  -6.196   1.253  -2.853
  425    HA   MET  53           HA       MET  53  -6.162  -1.152  -4.329
  426   1HB   MET  53          2HB       MET  53  -4.138  -1.700  -3.094
  427   2HB   MET  53          1HB       MET  53  -4.112  -0.016  -3.594
  428   1HG   MET  53          2HG       MET  53  -4.782   0.654  -1.334
  429   2HG   MET  53          1HG       MET  53  -4.770  -1.038  -0.839
  430   1HE   MET  53          1HE       MET  53  -1.378  -2.192  -0.658
  431   2HE   MET  53          2HE       MET  53  -1.501  -1.896  -2.391
  432   3HE   MET  53          3HE       MET  53  -2.894  -2.511  -1.500
  433    H    LYS  54           H        LYS  54  -6.948  -0.468  -0.930
  434    HA   LYS  54           HA       LYS  54  -7.221  -3.115  -0.054
  435   1HB   LYS  54          2HB       LYS  54  -8.222  -0.473   0.880
  436   2HB   LYS  54          1HB       LYS  54  -9.016  -1.907   1.519
  437   1HG   LYS  54          2HG       LYS  54  -6.718  -2.746   2.148
  438   2HG   LYS  54          1HG       LYS  54  -6.126  -1.129   1.766
  439   1HD   LYS  54          2HD       LYS  54  -6.509  -1.046   4.066
  440   2HD   LYS  54          1HD       LYS  54  -7.959  -0.309   3.380
  441   1HE   LYS  54          2HE       LYS  54  -8.423  -3.092   3.519
  442   2HE   LYS  54          1HE       LYS  54  -7.727  -2.608   5.065
  443   1HZ   LYS  54          1HZ       LYS  54  -9.440  -0.773   5.055
  444   2HZ   LYS  54          2HZ       LYS  54 -10.034  -2.338   5.283
  445   3HZ   LYS  54          3HZ       LYS  54 -10.191  -1.588   3.776
  446    H    GLU  55           H        GLU  55  -9.522  -0.963  -1.656
  447    HA   GLU  55           HA       GLU  55 -11.798  -2.611  -1.371
  448   1HB   GLU  55          2HB       GLU  55 -11.209  -0.116  -2.536
  449   2HB   GLU  55          1HB       GLU  55 -11.861  -1.107  -3.835
  450   1HG   GLU  55          2HG       GLU  55 -13.734  -1.671  -2.151
  451   2HG   GLU  55          1HG       GLU  55 -13.157  -0.248  -1.284
  452    H    LYS  56           H        LYS  56  -9.323  -2.371  -3.894
  453    HA   LYS  56           HA       LYS  56 -10.515  -4.248  -5.650
  454   1HB   LYS  56          2HB       LYS  56  -7.961  -2.803  -5.469
  455   2HB   LYS  56          1HB       LYS  56  -7.853  -4.368  -6.262
  456   1HG   LYS  56          2HG       LYS  56  -9.281  -3.741  -7.982
  457   2HG   LYS  56          1HG       LYS  56  -9.961  -2.400  -7.057
  458   1HD   LYS  56          2HD       LYS  56  -8.561  -1.104  -8.228
  459   2HD   LYS  56          1HD       LYS  56  -7.296  -1.753  -7.182
  460   1HE   LYS  56          2HE       LYS  56  -6.652  -3.355  -8.779
  461   2HE   LYS  56          1HE       LYS  56  -8.125  -3.133  -9.719
  462   1HZ   LYS  56          1HZ       LYS  56  -6.484  -0.762  -9.409
  463   2HZ   LYS  56          2HZ       LYS  56  -7.282  -1.357 -10.776
  464   3HZ   LYS  56          3HZ       LYS  56  -5.787  -2.003 -10.324
  465    H    ILE  57           H        ILE  57  -8.159  -4.563  -3.016
  466    HA   ILE  57           HA       ILE  57  -7.403  -7.223  -3.491
  467    HB   ILE  57           HB       ILE  57  -7.642  -5.865  -0.799
  468   1HG1  ILE  57          2HG1      ILE  57  -5.028  -6.217  -2.186
  469   2HG1  ILE  57          1HG1      ILE  57  -6.093  -4.952  -2.788
  470   1HG2  ILE  57          1HG2      ILE  57  -6.497  -8.457  -1.704
  471   2HG2  ILE  57          2HG2      ILE  57  -7.358  -8.058  -0.218
  472   3HG2  ILE  57          3HG2      ILE  57  -5.674  -7.579  -0.416
  473   1HD1  ILE  57          1HD1      ILE  57  -5.992  -4.756   0.041
  474   2HD1  ILE  57          2HD1      ILE  57  -5.417  -3.611  -1.170
  475   3HD1  ILE  57          3HD1      ILE  57  -4.344  -4.878  -0.576
  476    H    LYS  58           H        LYS  58 -10.140  -5.870  -1.696
  477    HA   LYS  58           HA       LYS  58 -11.110  -8.250  -0.574
  478   1HB   LYS  58          2HB       LYS  58 -12.550  -5.731  -1.409
  479   2HB   LYS  58          1HB       LYS  58 -13.320  -7.039  -0.520
  480   1HG   LYS  58          2HG       LYS  58 -11.816  -6.715   1.339
  481   2HG   LYS  58          1HG       LYS  58 -10.926  -5.487   0.440
  482   1HD   LYS  58          2HD       LYS  58 -12.513  -3.899   0.767
  483   2HD   LYS  58          1HD       LYS  58 -13.839  -5.062   0.715
  484   1HE   LYS  58          2HE       LYS  58 -13.681  -4.152   2.936
  485   2HE   LYS  58          1HE       LYS  58 -13.190  -5.845   2.970
  486   1HZ   LYS  58          1HZ       LYS  58 -11.343  -3.517   2.919
  487   2HZ   LYS  58          2HZ       LYS  58 -10.881  -5.143   2.981
  488   3HZ   LYS  58          3HZ       LYS  58 -11.710  -4.450   4.281
  489    H    ASN  59           H        ASN  59 -11.311  -7.016  -3.825
  490    HA   ASN  59           HA       ASN  59 -13.341  -8.977  -4.582
  491   1HB   ASN  59          2HB       ASN  59 -12.174  -6.535  -5.840
  492   2HB   ASN  59          1HB       ASN  59 -12.824  -7.779  -6.901
  493   1HD2  ASN  59          1HD2      ASN  59 -13.769  -6.184  -3.857
  494   2HD2  ASN  59          2HD2      ASN  59 -15.406  -5.900  -4.326
  495    H    ASN  60           H        ASN  60 -10.457  -9.607  -3.832
  496    HA   ASN  60           HA       ASN  60  -8.823 -11.035  -4.438
  497   1HB   ASN  60          2HB       ASN  60 -10.862 -11.919  -6.481
  498   2HB   ASN  60          1HB       ASN  60  -9.400 -12.801  -6.063
  499   1HD2  ASN  60          1HD2      ASN  60  -9.332 -12.618  -3.354
  500   2HD2  ASN  60          2HD2      ASN  60 -10.709 -13.403  -2.670
  501    H    ASP  61           H        ASP  61  -9.148  -8.362  -5.823
  502    HA   ASP  61           HA       ASP  61  -8.058  -8.712  -8.455
  503   1HB   ASP  61          2HB       ASP  61  -9.357  -6.668  -7.296
  504   2HB   ASP  61          1HB       ASP  61  -7.700  -6.132  -7.018
  505    H    TYR  62           H        TYR  62  -6.803  -8.156  -5.232
  506    HA   TYR  62           HA       TYR  62  -4.067  -8.464  -6.275
  507   1HB   TYR  62          2HB       TYR  62  -4.978  -6.747  -3.955
  508   2HB   TYR  62          1HB       TYR  62  -3.298  -7.040  -4.386
  509    HD1  TYR  62           2HD      TYR  62  -2.773  -6.512  -6.966
  510    HD2  TYR  62           1HD      TYR  62  -5.921  -4.782  -4.687
  511    HE1  TYR  62           2HE      TYR  62  -2.843  -4.611  -8.517
  512    HE2  TYR  62           1HE      TYR  62  -6.001  -2.871  -6.227
  513    HH   TYR  62           HH       TYR  62  -3.816  -2.671  -9.028
  514    H    GLN  63           H        GLN  63  -3.478 -10.473  -5.766
  515    HA   GLN  63           HA       GLN  63  -3.732 -11.338  -2.990
  516   1HB   GLN  63          2HB       GLN  63  -4.578 -13.497  -3.559
  517   2HB   GLN  63          1HB       GLN  63  -5.606 -12.319  -4.360
  518   1HG   GLN  63          2HG       GLN  63  -3.909 -12.741  -6.350
  519   2HG   GLN  63          1HG       GLN  63  -3.706 -14.279  -5.511
  520   1HE2  GLN  63          1HE2      GLN  63  -6.250 -14.722  -4.574
  521   2HE2  GLN  63          2HE2      GLN  63  -7.324 -14.951  -5.906
  522    H    SER  64           H        SER  64  -1.662 -10.402  -5.026
  523    HA   SER  64           HA       SER  64   0.275 -12.542  -4.522
  524   1HB   SER  64          2HB       SER  64   1.262 -11.231  -6.754
  525   2HB   SER  64          1HB       SER  64   0.422 -12.782  -6.769
  526    HG   SER  64           HG       SER  64  -0.823 -11.664  -8.095
  527    H    ILE  65           H        ILE  65   2.042 -11.894  -3.511
  528    HA   ILE  65           HA       ILE  65   2.274  -9.446  -2.265
  529    HB   ILE  65           HB       ILE  65   4.505 -10.038  -1.648
  530   1HG1  ILE  65          2HG1      ILE  65   5.269 -10.761  -3.935
  531   2HG1  ILE  65          1HG1      ILE  65   5.804 -11.799  -2.621
  532   1HG2  ILE  65          1HG2      ILE  65   2.574 -11.294  -0.687
  533   2HG2  ILE  65          2HG2      ILE  65   4.131 -12.113  -0.570
  534   3HG2  ILE  65          3HG2      ILE  65   2.964 -12.607  -1.797
  535   1HD1  ILE  65          1HD1      ILE  65   5.163 -13.238  -4.352
  536   2HD1  ILE  65          2HD1      ILE  65   3.679 -12.339  -4.666
  537   3HD1  ILE  65          3HD1      ILE  65   3.838 -13.291  -3.191
  538    H    GLU  66           H        GLU  66   3.502 -10.462  -5.404
  539    HA   GLU  66           HA       GLU  66   5.133  -8.175  -5.866
  540   1HB   GLU  66          2HB       GLU  66   4.801 -10.588  -7.110
  541   2HB   GLU  66          1HB       GLU  66   3.984  -9.503  -8.229
  542   1HG   GLU  66          2HG       GLU  66   5.975  -8.158  -8.442
  543   2HG   GLU  66          1HG       GLU  66   6.801  -9.138  -7.233
  544    H    GLU  67           H        GLU  67   1.787  -9.026  -6.669
  545    HA   GLU  67           HA       GLU  67   1.244  -6.701  -8.219
  546   1HB   GLU  67          2HB       GLU  67  -0.395  -8.861  -6.947
  547   2HB   GLU  67          1HB       GLU  67  -1.200  -7.412  -7.539
  548   1HG   GLU  67          2HG       GLU  67   0.690  -8.745  -9.382
  549   2HG   GLU  67          1HG       GLU  67  -0.822  -9.580  -9.034
  550    H    LEU  68           H        LEU  68   0.560  -7.647  -4.887
  551    HA   LEU  68           HA       LEU  68  -0.799  -5.364  -4.049
  552   1HB   LEU  68          2HB       LEU  68  -0.525  -7.571  -2.843
  553   2HB   LEU  68          1HB       LEU  68   1.077  -7.033  -2.373
  554    HG   LEU  68           HG       LEU  68  -0.697  -6.764  -0.626
  555   1HD1  LEU  68          1HD1      LEU  68   1.455  -5.206  -1.219
  556   2HD1  LEU  68          2HD1      LEU  68   0.492  -5.089   0.255
  557   3HD1  LEU  68          3HD1      LEU  68   0.163  -4.010  -1.102
  558   1HD2  LEU  68          1HD2      LEU  68  -2.454  -6.048  -2.288
  559   2HD2  LEU  68          2HD2      LEU  68  -1.659  -4.473  -2.323
  560   3HD2  LEU  68          3HD2      LEU  68  -2.350  -5.080  -0.817
  561    H    LYS  69           H        LYS  69   2.662  -6.095  -4.139
  562    HA   LYS  69           HA       LYS  69   3.551  -3.752  -2.838
  563   1HB   LYS  69          2HB       LYS  69   4.743  -6.012  -4.168
  564   2HB   LYS  69          1HB       LYS  69   5.543  -4.532  -4.673
  565   1HG   LYS  69          2HG       LYS  69   5.344  -4.217  -1.950
  566   2HG   LYS  69          1HG       LYS  69   5.653  -5.944  -2.133
  567   1HD   LYS  69          2HD       LYS  69   7.306  -3.718  -3.332
  568   2HD   LYS  69          1HD       LYS  69   7.734  -4.667  -1.907
  569   1HE   LYS  69          2HE       LYS  69   7.705  -6.708  -3.305
  570   2HE   LYS  69          1HE       LYS  69   7.377  -5.707  -4.717
  571   1HZ   LYS  69          1HZ       LYS  69   9.856  -6.096  -3.258
  572   2HZ   LYS  69          2HZ       LYS  69   9.552  -4.509  -3.753
  573   3HZ   LYS  69          3HZ       LYS  69   9.606  -5.756  -4.895
  574    H    ASP  70           H        ASP  70   2.936  -4.504  -6.245
  575    HA   ASP  70           HA       ASP  70   4.042  -2.205  -7.385
  576   1HB   ASP  70          2HB       ASP  70   2.022  -4.217  -8.210
  577   2HB   ASP  70          1HB       ASP  70   1.999  -2.686  -9.078
  578    H    ASN  71           H        ASN  71   0.754  -2.780  -6.154
  579    HA   ASN  71           HA       ASN  71  -0.225  -0.204  -6.856
  580   1HB   ASN  71          2HB       ASN  71  -1.308  -2.595  -5.851
  581   2HB   ASN  71          1HB       ASN  71  -1.660  -1.371  -4.636
  582   1HD2  ASN  71          1HD2      ASN  71  -1.447  -1.158  -8.173
  583   2HD2  ASN  71          2HD2      ASN  71  -3.061  -0.587  -8.401
  584    H    PHE  72           H        PHE  72   0.851  -1.586  -3.742
  585    HA   PHE  72           HA       PHE  72   0.443   0.750  -2.218
  586   1HB   PHE  72          2HB       PHE  72   0.746  -1.470  -1.198
  587   2HB   PHE  72          1HB       PHE  72   2.415  -1.506  -1.756
  588    HD1  PHE  72           2HD      PHE  72   0.060   0.111   0.572
  589    HD2  PHE  72           1HD      PHE  72   4.131  -0.357  -0.579
  590    HE1  PHE  72           2HE      PHE  72   0.774   1.209   2.654
  591    HE2  PHE  72           1HE      PHE  72   4.851   0.738   1.501
  592    HZ   PHE  72           HZ       PHE  72   3.170   1.526   3.122
  593    H    LYS  73           H        LYS  73   3.328  -0.510  -3.848
  594    HA   LYS  73           HA       LYS  73   5.062   1.581  -3.082
  595   1HB   LYS  73          2HB       LYS  73   5.645  -0.739  -4.042
  596   2HB   LYS  73          1HB       LYS  73   5.372  -0.012  -5.618
  597   1HG   LYS  73          2HG       LYS  73   7.317   1.095  -5.582
  598   2HG   LYS  73          1HG       LYS  73   7.155   1.529  -3.880
  599   1HD   LYS  73          2HD       LYS  73   8.772   0.037  -3.487
  600   2HD   LYS  73          1HD       LYS  73   7.561  -1.204  -3.811
  601   1HE   LYS  73          2HE       LYS  73   9.242  -1.825  -5.258
  602   2HE   LYS  73          1HE       LYS  73   8.240  -0.817  -6.301
  603   1HZ   LYS  73          1HZ       LYS  73   9.839   1.045  -5.436
  604   2HZ   LYS  73          2HZ       LYS  73  10.298   0.042  -6.719
  605   3HZ   LYS  73          3HZ       LYS  73  10.885  -0.258  -5.160
  606    H    LEU  74           H        LEU  74   2.861   1.178  -5.819
  607    HA   LEU  74           HA       LEU  74   3.792   3.279  -7.424
  608   1HB   LEU  74          2HB       LEU  74   1.314   1.702  -7.212
  609   2HB   LEU  74          1HB       LEU  74   1.100   3.303  -7.897
  610    HG   LEU  74           HG       LEU  74   3.217   1.464  -8.965
  611   1HD1  LEU  74          1HD1      LEU  74   1.198   1.166 -10.741
  612   2HD1  LEU  74          2HD1      LEU  74   0.303   1.190  -9.222
  613   3HD1  LEU  74          3HD1      LEU  74   1.586   0.006  -9.472
  614   1HD2  LEU  74          1HD2      LEU  74   2.892   4.005  -9.494
  615   2HD2  LEU  74          2HD2      LEU  74   1.598   3.415 -10.537
  616   3HD2  LEU  74          3HD2      LEU  74   3.254   2.864 -10.788
  617    H    MET  75           H        MET  75   1.352   3.279  -4.821
  618    HA   MET  75           HA       MET  75   0.688   6.020  -5.089
  619   1HB   MET  75          2HB       MET  75  -0.490   4.074  -3.749
  620   2HB   MET  75          1HB       MET  75   0.515   4.664  -2.434
  621   1HG   MET  75          2HG       MET  75  -0.633   6.948  -3.557
  622   2HG   MET  75          1HG       MET  75  -1.922   5.749  -3.507
  623   1HE   MET  75          1HE       MET  75   0.476   7.120   0.189
  624   2HE   MET  75          2HE       MET  75   0.576   7.939  -1.369
  625   3HE   MET  75          3HE       MET  75   1.183   6.292  -1.199
  626    H    CYS  76           H        CYS  76   3.049   4.299  -3.088
  627    HA   CYS  76           HA       CYS  76   3.914   6.530  -1.592
  628   1HB   CYS  76          2HB       CYS  76   4.963   3.806  -2.154
  629   2HB   CYS  76          1HB       CYS  76   6.120   5.001  -1.579
  630    HG   CYS  76           HG       CYS  76   4.959   5.086   0.654
  631    H    THR  77           H        THR  77   5.057   5.134  -4.652
  632    HA   THR  77           HA       THR  77   7.234   6.940  -4.956
  633    HB   THR  77           HB       THR  77   5.802   5.351  -7.095
  634    HG1  THR  77           1HG      THR  77   7.936   4.661  -5.365
  635   1HG2  THR  77          1HG2      THR  77   7.603   7.235  -7.605
  636   2HG2  THR  77          2HG2      THR  77   7.505   5.732  -8.523
  637   3HG2  THR  77          3HG2      THR  77   8.698   5.905  -7.235
  638    H    ASN  78           H        ASN  78   3.953   6.841  -6.347
  639    HA   ASN  78           HA       ASN  78   4.227   9.199  -7.886
  640   1HB   ASN  78          2HB       ASN  78   1.712   7.889  -6.823
  641   2HB   ASN  78          1HB       ASN  78   1.788   9.076  -8.113
  642   1HD2  ASN  78          1HD2      ASN  78   0.534   7.031  -8.950
  643   2HD2  ASN  78          2HD2      ASN  78   1.492   5.929  -9.861
  644    H    ALA  79           H        ALA  79   3.145   8.580  -4.588
  645    HA   ALA  79           HA       ALA  79   2.109  11.184  -4.099
  646   1HB   ALA  79          1HB       ALA  79   2.238  10.506  -1.698
  647   2HB   ALA  79          2HB       ALA  79   3.003   9.006  -2.220
  648   3HB   ALA  79          3HB       ALA  79   1.356   9.378  -2.728
  649    H    MET  80           H        MET  80   5.254   9.646  -3.447
  650    HA   MET  80           HA       MET  80   6.334  11.882  -2.066
  651   1HB   MET  80          2HB       MET  80   8.460  10.756  -2.199
  652   2HB   MET  80          1HB       MET  80   7.213   9.570  -1.845
  653   1HG   MET  80          2HG       MET  80   7.225   8.826  -4.148
  654   2HG   MET  80          1HG       MET  80   8.405  10.065  -4.565
  655   1HE   MET  80          1HE       MET  80  10.447   9.771  -4.880
  656   2HE   MET  80          2HE       MET  80  10.597   8.097  -5.410
  657   3HE   MET  80          3HE       MET  80  11.617   8.705  -4.105
  658    H    ILE  81           H        ILE  81   6.467  10.849  -5.468
  659    HA   ILE  81           HA       ILE  81   8.315  12.800  -6.314
  660    HB   ILE  81           HB       ILE  81   7.734  10.863  -7.710
  661   1HG1  ILE  81          2HG1      ILE  81   6.917  13.091  -9.472
  662   2HG1  ILE  81          1HG1      ILE  81   8.384  13.368  -8.537
  663   1HG2  ILE  81          1HG2      ILE  81   5.374  10.691  -7.334
  664   2HG2  ILE  81          2HG2      ILE  81   5.650  10.923  -9.058
  665   3HG2  ILE  81          3HG2      ILE  81   5.093  12.267  -8.066
  666   1HD1  ILE  81          1HD1      ILE  81   9.426  11.443  -9.489
  667   2HD1  ILE  81          2HD1      ILE  81   8.772  12.432 -10.796
  668   3HD1  ILE  81          3HD1      ILE  81   7.928  10.969 -10.287
  669    H    TYR  82           H        TYR  82   4.799  12.887  -5.925
  670    HA   TYR  82           HA       TYR  82   4.761  15.668  -6.847
  671   1HB   TYR  82          2HB       TYR  82   3.009  13.767  -7.454
  672   2HB   TYR  82          1HB       TYR  82   2.277  14.280  -5.937
  673    HD1  TYR  82           2HD      TYR  82   3.901  16.130  -8.759
  674    HD2  TYR  82           1HD      TYR  82   0.434  15.611  -6.346
  675    HE1  TYR  82           2HE      TYR  82   2.816  18.002  -9.922
  676    HE2  TYR  82           1HE      TYR  82  -0.657  17.482  -7.509
  677    HH   TYR  82           HH       TYR  82   0.390  18.733 -10.380
  678    H    ASN  83           H        ASN  83   5.980  14.821  -4.276
  679    HA   ASN  83           HA       ASN  83   4.910  16.896  -2.661
  680   1HB   ASN  83          2HB       ASN  83   3.538  14.521  -2.369
  681   2HB   ASN  83          1HB       ASN  83   4.717  14.445  -1.063
  682   1HD2  ASN  83          1HD2      ASN  83   4.948  16.984  -0.220
  683   2HD2  ASN  83          2HD2      ASN  83   3.434  17.584   0.353
  684    H    LYS  84           H        LYS  84   7.070  17.553  -2.763
  685    HA   LYS  84           HA       LYS  84   9.224  15.912  -1.847
  686   1HB   LYS  84          2HB       LYS  84   8.871  18.702  -2.778
  687   2HB   LYS  84          1HB       LYS  84  10.231  18.425  -1.699
  688   1HG   LYS  84          2HG       LYS  84  11.383  17.238  -3.232
  689   2HG   LYS  84          1HG       LYS  84   9.930  16.513  -3.924
  690   1HD   LYS  84          2HD       LYS  84   9.618  19.140  -4.596
  691   2HD   LYS  84          1HD       LYS  84  11.370  18.953  -4.684
  692   1HE   LYS  84          2HE       LYS  84  10.939  18.230  -6.771
  693   2HE   LYS  84          1HE       LYS  84  10.576  16.710  -5.958
  694   1HZ   LYS  84          1HZ       LYS  84   8.653  16.920  -7.084
  695   2HZ   LYS  84          2HZ       LYS  84   8.782  18.598  -7.243
  696   3HZ   LYS  84          3HZ       LYS  84   8.216  17.928  -5.797
  697    HA   PRO  85           HA       PRO  85   9.414  16.607   2.510
  698   1HB   PRO  85          2HB       PRO  85  11.982  18.075   2.339
  699   2HB   PRO  85          1HB       PRO  85  11.600  16.569   3.178
  700   1HG   PRO  85          2HG       PRO  85  13.061  16.572   0.943
  701   2HG   PRO  85          1HG       PRO  85  11.892  15.281   1.275
  702   1HD   PRO  85          2HD       PRO  85  11.645  17.640  -0.550
  703   2HD   PRO  85          1HD       PRO  85  11.120  15.962  -0.799
  704    H    GLU  86           H        GLU  86   7.649  18.217   2.075
  705    HA   GLU  86           HA       GLU  86   8.383  21.013   2.392
  706   1HB   GLU  86          2HB       GLU  86   6.429  19.864   0.959
  707   2HB   GLU  86          1HB       GLU  86   5.539  20.157   2.446
  708   1HG   GLU  86          2HG       GLU  86   5.488  22.380   2.134
  709   2HG   GLU  86          1HG       GLU  86   7.110  22.432   1.447
  710    H    THR  87           H        THR  87   6.043  18.860   4.029
  711    HA   THR  87           HA       THR  87   6.814  20.098   6.577
  712    HB   THR  87           HB       THR  87   4.415  20.096   7.260
  713    HG1  THR  87           1HG      THR  87   3.973  19.495   4.522
  714   1HG2  THR  87          1HG2      THR  87   3.929  22.136   6.404
  715   2HG2  THR  87          2HG2      THR  87   4.419  21.692   4.768
  716   3HG2  THR  87          3HG2      THR  87   5.639  22.058   5.989
  717    H    ILE  88           H        ILE  88   4.236  17.756   5.954
  718    HA   ILE  88           HA       ILE  88   5.866  15.675   7.250
  719    HB   ILE  88           HB       ILE  88   3.922  14.864   8.483
  720   1HG1  ILE  88          2HG1      ILE  88   2.229  15.846   6.853
  721   2HG1  ILE  88          1HG1      ILE  88   1.828  15.978   8.559
  722   1HG2  ILE  88          1HG2      ILE  88   5.171  17.460   8.931
  723   2HG2  ILE  88          2HG2      ILE  88   4.955  16.095  10.026
  724   3HG2  ILE  88          3HG2      ILE  88   3.644  17.248   9.787
  725   1HD1  ILE  88          1HD1      ILE  88   3.235  18.317   7.873
  726   2HD1  ILE  88          2HD1      ILE  88   1.529  18.145   8.281
  727   3HD1  ILE  88          3HD1      ILE  88   2.050  18.030   6.602
  728    H    TYR  89           H        TYR  89   4.328  16.485   4.471
  729    HA   TYR  89           HA       TYR  89   2.874  14.110   3.885
  730   1HB   TYR  89          2HB       TYR  89   3.632  16.562   2.473
  731   2HB   TYR  89          1HB       TYR  89   3.611  15.141   1.436
  732    HD1  TYR  89           1HD      TYR  89   1.384  13.575   2.438
  733    HD2  TYR  89           2HD      TYR  89   1.735  17.794   2.004
  734    HE1  TYR  89           1HE      TYR  89  -1.057  13.749   2.228
  735    HE2  TYR  89           2HE      TYR  89  -0.708  17.979   1.791
  736    HH   TYR  89           HH       TYR  89  -2.713  15.335   1.231
  737    H    TYR  90           H        TYR  90   6.152  15.238   3.065
  738    HA   TYR  90           HA       TYR  90   6.876  12.991   1.517
  739   1HB   TYR  90          2HB       TYR  90   8.112  15.151   1.513
  740   2HB   TYR  90          1HB       TYR  90   8.706  14.788   3.129
  741    HD1  TYR  90           1HD      TYR  90   8.704  13.476  -0.361
  742    HD2  TYR  90           2HD      TYR  90  10.695  13.584   3.398
  743    HE1  TYR  90           1HE      TYR  90  10.612  12.279  -1.344
  744    HE2  TYR  90           2HE      TYR  90  12.610  12.387   2.426
  745    HH   TYR  90           HH       TYR  90  12.948  10.772   0.411
  746    H    LYS  91           H        LYS  91   7.449  13.744   4.949
  747    HA   LYS  91           HA       LYS  91   8.792  11.325   5.546
  748   1HB   LYS  91          2HB       LYS  91   8.809  13.464   6.909
  749   2HB   LYS  91          1HB       LYS  91   7.221  12.999   7.501
  750   1HG   LYS  91          2HG       LYS  91   8.049  11.419   8.875
  751   2HG   LYS  91          1HG       LYS  91   9.316  10.944   7.743
  752   1HD   LYS  91          2HD       LYS  91  10.698  11.974   9.183
  753   2HD   LYS  91          1HD       LYS  91  10.114  13.457   8.427
  754   1HE   LYS  91          2HE       LYS  91   8.957  12.173  10.901
  755   2HE   LYS  91          1HE       LYS  91  10.029  13.571  10.881
  756   1HZ   LYS  91          1HZ       LYS  91   7.661  14.158  11.098
  757   2HZ   LYS  91          2HZ       LYS  91   7.360  13.485   9.575
  758   3HZ   LYS  91          3HZ       LYS  91   8.370  14.833   9.721
  759    H    ALA  92           H        ALA  92   5.387  12.263   5.606
  760    HA   ALA  92           HA       ALA  92   4.332  10.102   7.030
  761   1HB   ALA  92          1HB       ALA  92   3.220  11.929   4.937
  762   2HB   ALA  92          2HB       ALA  92   2.802  11.797   6.646
  763   3HB   ALA  92          3HB       ALA  92   2.269  10.559   5.509
  764    H    ALA  93           H        ALA  93   4.904  10.463   3.535
  765    HA   ALA  93           HA       ALA  93   3.942   7.901   2.808
  766   1HB   ALA  93          1HB       ALA  93   4.575   8.416   0.668
  767   2HB   ALA  93          2HB       ALA  93   6.056   9.226   1.182
  768   3HB   ALA  93          3HB       ALA  93   4.499  10.035   1.362
  769    H    LYS  94           H        LYS  94   7.173   9.118   3.615
  770    HA   LYS  94           HA       LYS  94   8.613   6.789   2.986
  771   1HB   LYS  94          2HB       LYS  94   9.290   9.289   3.828
  772   2HB   LYS  94          1HB       LYS  94   9.602   8.354   5.282
  773   1HG   LYS  94          2HG       LYS  94  11.628   8.116   4.326
  774   2HG   LYS  94          1HG       LYS  94  10.823   6.782   3.498
  775   1HD   LYS  94          2HD       LYS  94  10.645   9.485   2.273
  776   2HD   LYS  94          1HD       LYS  94  12.196   8.646   2.188
  777   1HE   LYS  94          2HE       LYS  94  10.692   6.637   1.390
  778   2HE   LYS  94          1HE       LYS  94   9.572   7.929   0.963
  779   1HZ   LYS  94          1HZ       LYS  94  11.779   8.891  -0.116
  780   2HZ   LYS  94          2HZ       LYS  94  10.753   7.835  -0.949
  781   3HZ   LYS  94          3HZ       LYS  94  12.153   7.243  -0.209
  782    H    LYS  95           H        LYS  95   7.208   7.873   6.080
  783    HA   LYS  95           HA       LYS  95   8.064   5.674   7.611
  784   1HB   LYS  95          2HB       LYS  95   6.417   7.976   8.000
  785   2HB   LYS  95          1HB       LYS  95   5.559   6.571   8.618
  786   1HG   LYS  95          2HG       LYS  95   6.730   6.857  10.484
  787   2HG   LYS  95          1HG       LYS  95   8.110   6.218   9.587
  788   1HD   LYS  95          2HD       LYS  95   9.094   8.160  10.141
  789   2HD   LYS  95          1HD       LYS  95   8.133   8.830   8.820
  790   1HE   LYS  95          2HE       LYS  95   6.957  10.090  10.229
  791   2HE   LYS  95          1HE       LYS  95   6.574   8.695  11.238
  792   1HZ   LYS  95          1HZ       LYS  95   8.522   9.004  12.498
  793   2HZ   LYS  95          2HZ       LYS  95   7.840  10.543  12.345
  794   3HZ   LYS  95          3HZ       LYS  95   9.172  10.112  11.397
  795    H    LEU  96           H        LEU  96   5.026   6.247   5.852
  796    HA   LEU  96           HA       LEU  96   3.763   3.838   6.587
  797   1HB   LEU  96          2HB       LEU  96   3.087   6.073   5.091
  798   2HB   LEU  96          1HB       LEU  96   3.079   4.777   3.911
  799    HG   LEU  96           HG       LEU  96   0.859   5.222   4.937
  800   1HD1  LEU  96          1HD1      LEU  96   0.687   3.139   4.139
  801   2HD1  LEU  96          2HD1      LEU  96   0.783   2.658   5.834
  802   3HD1  LEU  96          3HD1      LEU  96   2.230   2.638   4.830
  803   1HD2  LEU  96          1HD2      LEU  96   1.608   3.828   7.425
  804   2HD2  LEU  96          2HD2      LEU  96   0.449   5.130   7.152
  805   3HD2  LEU  96          3HD2      LEU  96   2.169   5.493   7.277
  806    H    LEU  97           H        LEU  97   5.851   4.681   3.846
  807    HA   LEU  97           HA       LEU  97   5.634   2.282   2.416
  808   1HB   LEU  97          2HB       LEU  97   6.857   4.570   1.891
  809   2HB   LEU  97          1HB       LEU  97   8.248   3.716   2.527
  810    HG   LEU  97           HG       LEU  97   6.567   2.619   0.279
  811   1HD1  LEU  97          1HD1      LEU  97   8.011   3.579  -1.303
  812   2HD1  LEU  97          2HD1      LEU  97   9.162   4.088  -0.067
  813   3HD1  LEU  97          3HD1      LEU  97   7.598   4.891  -0.200
  814   1HD2  LEU  97          1HD2      LEU  97   8.774   1.433  -0.170
  815   2HD2  LEU  97          2HD2      LEU  97   7.855   0.904   1.239
  816   3HD2  LEU  97          3HD2      LEU  97   9.256   1.957   1.444
  817    H    HIS  98           H        HIS  98   7.825   3.230   5.041
  818    HA   HIS  98           HA       HIS  98   9.440   0.934   5.043
  819   1HB   HIS  98          2HB       HIS  98   8.709   2.898   7.212
  820   2HB   HIS  98          1HB       HIS  98   9.803   1.552   7.506
  821    HD1  HIS  98           1HD      HIS  98  10.508   2.577   4.180
  822    HD2  HIS  98           2HD      HIS  98  11.420   4.091   7.942
  823    HE1  HIS  98           1HE      HIS  98  12.480   4.094   3.833
  824    HE2  HIS  98           2HE      HIS  98  13.086   4.908   6.140
  825    H    SER  99           H        SER  99   6.367   1.629   6.660
  826    HA   SER  99           HA       SER  99   6.288  -0.801   8.149
  827   1HB   SER  99          2HB       SER  99   4.927   1.425   8.474
  828   2HB   SER  99          1HB       SER  99   3.792   0.665   7.358
  829    HG   SER  99           HG       SER  99   3.471  -0.975   8.795
  830    H    GLY 100           H        GLY 100   5.024   0.213   5.004
  831   1HA   GLY 100          2HA       GLY 100   3.503  -2.133   4.508
  832   2HA   GLY 100          1HA       GLY 100   4.029  -0.966   3.303
  833    H    MET 101           H        MET 101   6.861  -1.255   3.745
  834    HA   MET 101           HA       MET 101   7.334  -3.503   2.086
  835   1HB   MET 101          2HB       MET 101   9.704  -2.924   2.324
  836   2HB   MET 101          1HB       MET 101   8.734  -1.520   1.934
  837   1HG   MET 101          2HG       MET 101   8.865  -0.732   4.186
  838   2HG   MET 101          1HG       MET 101   9.652  -2.218   4.711
  839   1HE   MET 101          1HE       MET 101  12.313  -2.352   4.911
  840   2HE   MET 101          2HE       MET 101  13.215  -1.973   3.443
  841   3HE   MET 101          3HE       MET 101  11.831  -3.063   3.371
  842    H    LYS 102           H        LYS 102   7.845  -2.890   5.551
  843    HA   LYS 102           HA       LYS 102   9.193  -5.334   6.055
  844   1HB   LYS 102          2HB       LYS 102   8.722  -4.898   8.435
  845   2HB   LYS 102          1HB       LYS 102   9.405  -3.502   7.619
  846   1HG   LYS 102          2HG       LYS 102   7.171  -2.514   7.456
  847   2HG   LYS 102          1HG       LYS 102   6.500  -3.910   8.302
  848   1HD   LYS 102          2HD       LYS 102   6.780  -2.209   9.927
  849   2HD   LYS 102          1HD       LYS 102   8.082  -3.369  10.191
  850   1HE   LYS 102          2HE       LYS 102   9.595  -1.915   8.886
  851   2HE   LYS 102          1HE       LYS 102   8.292  -0.741   8.727
  852   1HZ   LYS 102          1HZ       LYS 102  10.092  -0.618  10.646
  853   2HZ   LYS 102          2HZ       LYS 102   8.962  -1.601  11.431
  854   3HZ   LYS 102          3HZ       LYS 102   8.504  -0.077  10.860
  855    H    ILE 103           H        ILE 103   5.766  -4.383   6.428
  856    HA   ILE 103           HA       ILE 103   4.887  -6.845   7.456
  857    HB   ILE 103           HB       ILE 103   2.628  -6.136   6.678
  858   1HG1  ILE 103          2HG1      ILE 103   2.890  -3.476   6.073
  859   2HG1  ILE 103          1HG1      ILE 103   4.237  -4.189   5.197
  860   1HG2  ILE 103          1HG2      ILE 103   2.523  -4.132   8.172
  861   2HG2  ILE 103          2HG2      ILE 103   4.280  -4.219   8.290
  862   3HG2  ILE 103          3HG2      ILE 103   3.290  -5.554   8.876
  863   1HD1  ILE 103          1HD1      ILE 103   2.411  -5.874   4.378
  864   2HD1  ILE 103          2HD1      ILE 103   2.586  -4.289   3.624
  865   3HD1  ILE 103          3HD1      ILE 103   1.315  -4.564   4.815
  866    H    LEU 104           H        LEU 104   5.216  -5.652   4.136
  867    HA   LEU 104           HA       LEU 104   3.905  -7.820   2.883
  868   1HB   LEU 104          2HB       LEU 104   5.622  -5.581   2.042
  869   2HB   LEU 104          1HB       LEU 104   5.674  -6.986   0.994
  870    HG   LEU 104           HG       LEU 104   2.997  -5.952   1.791
  871   1HD1  LEU 104          1HD1      LEU 104   3.132  -4.428  -0.242
  872   2HD1  LEU 104          2HD1      LEU 104   4.883  -4.570  -0.091
  873   3HD1  LEU 104          3HD1      LEU 104   3.936  -3.881   1.228
  874   1HD2  LEU 104          1HD2      LEU 104   2.911  -6.492  -0.847
  875   2HD2  LEU 104          2HD2      LEU 104   2.627  -7.694   0.410
  876   3HD2  LEU 104          3HD2      LEU 104   4.212  -7.572  -0.348
  877    H    SER 105           H        SER 105   7.184  -7.391   4.053
  878    HA   SER 105           HA       SER 105   8.372  -9.547   2.658
  879   1HB   SER 105          2HB       SER 105   9.154  -8.336   5.323
  880   2HB   SER 105          1HB       SER 105  10.161  -9.409   4.351
  881    HG   SER 105           HG       SER 105  10.618  -7.158   4.037
  882    H    GLN 106           H        GLN 106   6.491  -9.366   5.617
  883    HA   GLN 106           HA       GLN 106   7.149 -11.938   6.609
  884   1HB   GLN 106          2HB       GLN 106   5.066  -9.899   7.182
  885   2HB   GLN 106          1HB       GLN 106   4.740 -11.546   7.708
  886   1HG   GLN 106          2HG       GLN 106   6.984 -11.499   8.850
  887   2HG   GLN 106          1HG       GLN 106   7.027  -9.772   8.506
  888   1HE2  GLN 106          1HE2      GLN 106   4.749  -8.741   9.094
  889   2HE2  GLN 106          2HE2      GLN 106   4.229  -9.093  10.703
  890    H    GLU 107           H        GLU 107   4.834 -10.820   4.229
  891    HA   GLU 107           HA       GLU 107   3.051 -12.946   4.169
  892   1HB   GLU 107          2HB       GLU 107   3.936 -10.884   2.251
  893   2HB   GLU 107          1HB       GLU 107   3.235 -12.323   1.527
  894   1HG   GLU 107          2HG       GLU 107   1.891 -10.685   3.665
  895   2HG   GLU 107          1HG       GLU 107   1.623 -10.477   1.937
  896    H    ARG 108           H        ARG 108   6.148 -12.615   2.446
  897    HA   ARG 108           HA       ARG 108   5.963 -15.433   1.640
  898   1HB   ARG 108          2HB       ARG 108   8.046 -14.773   0.250
  899   2HB   ARG 108          1HB       ARG 108   6.464 -14.210  -0.266
  900   1HG   ARG 108          2HG       ARG 108   6.943 -12.042   0.152
  901   2HG   ARG 108          1HG       ARG 108   7.976 -12.419   1.530
  902   1HD   ARG 108          2HD       ARG 108   9.649 -13.321  -0.143
  903   2HD   ARG 108          1HD       ARG 108   8.654 -12.583  -1.396
  904    HE   ARG 108           HE       ARG 108   9.102 -10.542   0.323
  905   1HH1  ARG 108          1HH1      ARG 108  11.224 -12.791  -1.319
  906   2HH1  ARG 108          2HH1      ARG 108  12.551 -11.682  -1.385
  907   1HH2  ARG 108          1HH2      ARG 108  10.853  -9.085   0.231
  908   2HH2  ARG 108          2HH2      ARG 108  12.340  -9.578  -0.505
  909    H    LEU 109           H        LEU 109   8.083 -13.166   3.337
  910    HA   LEU 109           HA       LEU 109   9.950 -13.446   4.602
  911   1HB   LEU 109          2HB       LEU 109   9.637 -14.813   6.499
  912   2HB   LEU 109          1HB       LEU 109   8.048 -14.248   6.030
  913    HG   LEU 109           HG       LEU 109   8.757 -16.857   4.889
  914   1HD1  LEU 109          1HD1      LEU 109   8.753 -18.137   6.832
  915   2HD1  LEU 109          2HD1      LEU 109   8.184 -16.797   7.829
  916   3HD1  LEU 109          3HD1      LEU 109   9.838 -16.801   7.215
  917   1HD2  LEU 109          1HD2      LEU 109   6.546 -16.424   4.604
  918   2HD2  LEU 109          2HD2      LEU 109   6.428 -15.465   6.079
  919   3HD2  LEU 109          3HD2      LEU 109   6.453 -17.226   6.171
  920    H    GLU 110           H        GLU 110  11.238 -15.691   5.665
  921    HA   GLU 110           HA       GLU 110  12.470 -16.797   3.239
  922   1HB   GLU 110          2HB       GLU 110  13.485 -16.362   6.044
  923   2HB   GLU 110          1HB       GLU 110  14.337 -17.392   4.901
  924   1HG   GLU 110          2HG       GLU 110  13.627 -14.685   3.959
  925   2HG   GLU 110          1HG       GLU 110  14.858 -14.788   5.217
  926    H    HIS 111           H        HIS 111  11.824 -18.779   2.695
  927    HA   HIS 111           HA       HIS 111  11.248 -20.976   2.801
  928   1HB   HIS 111          2HB       HIS 111  12.675 -20.637   5.419
  929   2HB   HIS 111          1HB       HIS 111  11.815 -22.136   5.095
  930    HD1  HIS 111           1HD      HIS 111  12.602 -22.305   2.036
  931    HD2  HIS 111           2HD      HIS 111  15.220 -21.644   5.196
  932    HE1  HIS 111           1HE      HIS 111  14.854 -23.047   1.207
  933    HE2  HIS 111           2HE      HIS 111  16.406 -22.722   3.167
  934    H    HIS 112           H        HIS 112   9.971 -22.594   4.464
  935    HA   HIS 112           HA       HIS 112   7.689 -21.027   5.476
  936   1HB   HIS 112          2HB       HIS 112   7.742 -23.533   3.823
  937   2HB   HIS 112          1HB       HIS 112   6.369 -23.189   4.867
  938    HD1  HIS 112           1HD      HIS 112   6.376 -20.052   4.278
  939    HD2  HIS 112           2HD      HIS 112   6.399 -23.098   1.449
  940    HE1  HIS 112           1HE      HIS 112   5.408 -19.038   2.192
  941    HE2  HIS 112           2HE      HIS 112   5.345 -20.924   0.522
  942    H    HIS 113           H        HIS 113   8.649 -24.467   5.642
  943    HA   HIS 113           HA       HIS 113   7.850 -24.595   8.405
  944   1HB   HIS 113          2HB       HIS 113   8.668 -26.512   6.318
  945   2HB   HIS 113          1HB       HIS 113   9.139 -26.958   7.953
  946    HD1  HIS 113           1HD      HIS 113   6.726 -26.199   9.583
  947    HD2  HIS 113           2HD      HIS 113   6.439 -27.957   5.828
  948    HE1  HIS 113           1HE      HIS 113   4.454 -27.273   9.515
  949    HE2  HIS 113           2HE      HIS 113   4.271 -28.261   7.205
  950    H    HIS 114           H        HIS 114   9.088 -24.199  10.115
  951    HA   HIS 114           HA       HIS 114  11.878 -23.573   9.773
  952   1HB   HIS 114          2HB       HIS 114   9.935 -23.422  12.049
  953   2HB   HIS 114          1HB       HIS 114  11.661 -23.327  12.379
  954    HD1  HIS 114           1HD      HIS 114  12.358 -21.620   9.791
  955    HD2  HIS 114           2HD      HIS 114   9.389 -20.765  12.571
  956    HE1  HIS 114           1HE      HIS 114  11.950 -19.147   9.600
  957    HE2  HIS 114           2HE      HIS 114  10.235 -18.637  11.372
  958    H    HIS 115           H        HIS 115  13.543 -24.885  10.059
  959    HA   HIS 115           HA       HIS 115  13.544 -27.016  11.976
  960   1HB   HIS 115          2HB       HIS 115  12.463 -27.707   9.550
  961   2HB   HIS 115          1HB       HIS 115  14.154 -28.151   9.336
  962    HD1  HIS 115           1HD      HIS 115  14.769 -29.219  12.160
  963    HD2  HIS 115           2HD      HIS 115  11.332 -30.138  10.009
  964    HE1  HIS 115           1HE      HIS 115  13.946 -31.399  13.106
  965    HE2  HIS 115           2HE      HIS 115  11.812 -31.883  11.856
  966    H    HIS 116           H        HIS 116  15.120 -25.722   9.057
  967    HA   HIS 116           HA       HIS 116  17.741 -26.470  10.087
  968   1HB   HIS 116          2HB       HIS 116  16.935 -25.145   7.485
  969   2HB   HIS 116          1HB       HIS 116  18.571 -25.640   7.902
  970    HD1  HIS 116           1HD      HIS 116  17.977 -28.453   9.028
  971    HD2  HIS 116           2HD      HIS 116  16.340 -26.939   5.521
  972    HE1  HIS 116           1HE      HIS 116  17.335 -30.463   7.664
  973    HE2  HIS 116           2HE      HIS 116  16.441 -29.524   5.504
  Start of MODEL    3
    1   1H    MET   0          1HT       MET   0  -4.566 -27.639  -5.147
    2   2H    MET   0          2HT       MET   0  -3.486 -28.812  -4.515
    3   3H    MET   0          3HT       MET   0  -3.278 -28.225  -6.113
    4    HA   MET   0           HA       MET   0  -2.826 -26.867  -3.557
    5   1HB   MET   0          2HB       MET   0  -0.607 -26.545  -4.445
    6   2HB   MET   0          1HB       MET   0  -1.036 -28.241  -4.596
    7   1HG   MET   0          2HG       MET   0  -1.815 -26.992  -6.999
    8   2HG   MET   0          1HG       MET   0  -0.201 -26.403  -6.612
    9   1HE   MET   0          1HE       MET   0   1.157 -29.926  -5.497
   10   2HE   MET   0          2HE       MET   0   1.153 -28.193  -5.173
   11   3HE   MET   0          3HE       MET   0   2.110 -28.838  -6.506
   12    H    GLU   1           H        GLU   1  -3.755 -26.374  -6.916
   13    HA   GLU   1           HA       GLU   1  -3.515 -23.475  -6.587
   14   1HB   GLU   1          2HB       GLU   1  -3.522 -25.299  -8.889
   15   2HB   GLU   1          1HB       GLU   1  -4.495 -23.853  -9.121
   16   1HG   GLU   1          2HG       GLU   1  -1.732 -23.574  -8.053
   17   2HG   GLU   1          1HG       GLU   1  -1.967 -23.885  -9.773
   18    H    GLU   2           H        GLU   2  -5.311 -22.090  -7.192
   19    HA   GLU   2           HA       GLU   2  -7.441 -21.355  -6.925
   20   1HB   GLU   2          2HB       GLU   2  -7.837 -24.031  -8.207
   21   2HB   GLU   2          1HB       GLU   2  -9.240 -23.138  -7.640
   22   1HG   GLU   2          2HG       GLU   2  -9.192 -21.777  -9.386
   23   2HG   GLU   2          1HG       GLU   2  -7.472 -21.450  -9.172
   24    H    VAL   3           H        VAL   3  -6.113 -22.621  -4.655
   25    HA   VAL   3           HA       VAL   3  -8.517 -23.276  -3.096
   26    HB   VAL   3           HB       VAL   3  -7.177 -24.876  -1.731
   27   1HG1  VAL   3          1HG1      VAL   3  -7.137 -26.672  -3.566
   28   2HG1  VAL   3          2HG1      VAL   3  -7.751 -25.400  -4.624
   29   3HG1  VAL   3          3HG1      VAL   3  -8.672 -25.883  -3.199
   30   1HG2  VAL   3          1HG2      VAL   3  -4.949 -24.625  -2.013
   31   2HG2  VAL   3          2HG2      VAL   3  -5.107 -24.107  -3.690
   32   3HG2  VAL   3          3HG2      VAL   3  -5.201 -25.819  -3.285
   33    H    GLU   4           H        GLU   4  -5.141 -22.151  -2.997
   34    HA   GLU   4           HA       GLU   4  -5.572 -21.029  -0.340
   35   1HB   GLU   4          2HB       GLU   4  -3.073 -20.942  -2.035
   36   2HB   GLU   4          1HB       GLU   4  -3.202 -20.563  -0.324
   37   1HG   GLU   4          2HG       GLU   4  -3.885 -22.934   0.068
   38   2HG   GLU   4          1HG       GLU   4  -3.517 -23.253  -1.626
   39    H    GLN   5           H        GLN   5  -7.171 -19.841  -2.271
   40    HA   GLN   5           HA       GLN   5  -5.888 -17.324  -2.994
   41   1HB   GLN   5          2HB       GLN   5  -7.913 -16.854  -4.262
   42   2HB   GLN   5          1HB       GLN   5  -7.291 -18.445  -4.675
   43   1HG   GLN   5          2HG       GLN   5  -8.970 -19.452  -3.173
   44   2HG   GLN   5          1HG       GLN   5  -9.621 -17.843  -2.864
   45   1HE2  GLN   5          1HE2      GLN   5 -11.106 -19.980  -3.931
   46   2HE2  GLN   5          2HE2      GLN   5 -11.572 -19.562  -5.541
   47    H    THR   6           H        THR   6  -8.299 -18.618  -0.805
   48    HA   THR   6           HA       THR   6  -9.253 -16.056   0.053
   49    HB   THR   6           HB       THR   6  -9.845 -17.987   2.037
   50    HG1  THR   6           1HG      THR   6 -10.309 -19.777   0.992
   51   1HG2  THR   6          1HG2      THR   6 -11.818 -17.599  -0.105
   52   2HG2  THR   6          2HG2      THR   6 -11.236 -16.134   0.685
   53   3HG2  THR   6          3HG2      THR   6 -11.975 -17.416   1.642
   54    HA   PRO   7           HA       PRO   7  -6.541 -17.287   4.014
   55   1HB   PRO   7          2HB       PRO   7  -4.415 -18.706   2.480
   56   2HB   PRO   7          1HB       PRO   7  -5.024 -19.012   4.111
   57   1HG   PRO   7          2HG       PRO   7  -5.716 -20.598   2.094
   58   2HG   PRO   7          1HG       PRO   7  -6.891 -20.153   3.345
   59   1HD   PRO   7          2HD       PRO   7  -6.622 -19.142   0.549
   60   2HD   PRO   7          1HD       PRO   7  -8.087 -19.445   1.506
   61    H    LEU   8           H        LEU   8  -4.907 -16.900   0.858
   62    HA   LEU   8           HA       LEU   8  -2.865 -15.189   1.757
   63   1HB   LEU   8          2HB       LEU   8  -3.836 -16.176  -0.772
   64   2HB   LEU   8          1HB       LEU   8  -3.449 -14.470  -0.900
   65    HG   LEU   8           HG       LEU   8  -1.220 -15.269   0.325
   66   1HD1  LEU   8          1HD1      LEU   8  -0.538 -17.428  -0.117
   67   2HD1  LEU   8          2HD1      LEU   8  -1.728 -17.656  -1.398
   68   3HD1  LEU   8          3HD1      LEU   8  -2.239 -17.654   0.290
   69   1HD2  LEU   8          1HD2      LEU   8  -1.406 -15.846  -2.598
   70   2HD2  LEU   8          2HD2      LEU   8  -0.148 -15.005  -1.696
   71   3HD2  LEU   8          3HD2      LEU   8  -1.690 -14.208  -2.010
   72    H    GLN   9           H        GLN   9  -6.122 -14.520   0.554
   73    HA   GLN   9           HA       GLN   9  -5.933 -11.725   0.367
   74   1HB   GLN   9          2HB       GLN   9  -7.803 -13.276  -0.454
   75   2HB   GLN   9          1HB       GLN   9  -8.428 -13.203   1.188
   76   1HG   GLN   9          2HG       GLN   9  -8.273 -10.618   0.810
   77   2HG   GLN   9          1HG       GLN   9  -8.305 -11.078  -0.891
   78   1HE2  GLN   9          1HE2      GLN   9 -10.317  -9.844  -0.876
   79   2HE2  GLN   9          2HE2      GLN   9 -11.778 -10.635  -0.399
   80    H    GLU  10           H        GLU  10  -6.741 -13.835   3.093
   81    HA   GLU  10           HA       GLU  10  -7.562 -11.860   4.904
   82   1HB   GLU  10          2HB       GLU  10  -7.816 -14.355   5.161
   83   2HB   GLU  10          1HB       GLU  10  -6.118 -14.417   5.616
   84   1HG   GLU  10          2HG       GLU  10  -6.554 -13.764   7.695
   85   2HG   GLU  10          1HG       GLU  10  -7.588 -12.445   7.151
   86    H    ALA  11           H        ALA  11  -4.338 -13.260   4.337
   87    HA   ALA  11           HA       ALA  11  -2.976 -11.797   6.327
   88   1HB   ALA  11          1HB       ALA  11  -1.867 -13.683   5.453
   89   2HB   ALA  11          2HB       ALA  11  -0.940 -12.297   4.881
   90   3HB   ALA  11          3HB       ALA  11  -2.052 -13.125   3.791
   91    H    LEU  12           H        LEU  12  -3.750 -11.080   2.959
   92    HA   LEU  12           HA       LEU  12  -2.162  -8.765   2.694
   93   1HB   LEU  12          2HB       LEU  12  -3.933 -10.229   1.082
   94   2HB   LEU  12          1HB       LEU  12  -4.599  -8.608   1.149
   95    HG   LEU  12           HG       LEU  12  -1.694  -8.867   0.568
   96   1HD1  LEU  12          1HD1      LEU  12  -3.433  -9.042  -1.794
   97   2HD1  LEU  12          2HD1      LEU  12  -3.327 -10.510  -0.824
   98   3HD1  LEU  12          3HD1      LEU  12  -1.863  -9.778  -1.479
   99   1HD2  LEU  12          1HD2      LEU  12  -1.936  -6.809  -0.352
  100   2HD2  LEU  12          2HD2      LEU  12  -3.326  -6.758   0.732
  101   3HD2  LEU  12          3HD2      LEU  12  -3.552  -7.150  -0.973
  102    H    ASN  13           H        ASN  13  -5.568  -9.197   3.643
  103    HA   ASN  13           HA       ASN  13  -6.210  -6.471   3.894
  104   1HB   ASN  13          2HB       ASN  13  -7.355  -8.849   5.377
  105   2HB   ASN  13          1HB       ASN  13  -8.067  -7.240   5.353
  106   1HD2  ASN  13          1HD2      ASN  13  -8.630 -10.117   4.222
  107   2HD2  ASN  13          2HD2      ASN  13  -9.238  -9.768   2.643
  108    H    GLN  14           H        GLN  14  -4.870  -8.784   6.222
  109    HA   GLN  14           HA       GLN  14  -4.940  -7.068   8.464
  110   1HB   GLN  14          2HB       GLN  14  -3.185  -9.451   7.848
  111   2HB   GLN  14          1HB       GLN  14  -3.217  -8.633   9.404
  112   1HG   GLN  14          2HG       GLN  14  -5.626  -9.158   9.585
  113   2HG   GLN  14          1HG       GLN  14  -5.506 -10.069   8.082
  114   1HE2  GLN  14          1HE2      GLN  14  -4.434 -12.037   8.064
  115   2HE2  GLN  14          2HE2      GLN  14  -4.021 -12.878   9.516
  116    H    LEU  15           H        LEU  15  -2.436  -7.717   6.037
  117    HA   LEU  15           HA       LEU  15  -0.369  -6.204   7.157
  118   1HB   LEU  15          2HB       LEU  15   0.170  -7.651   5.376
  119   2HB   LEU  15          1HB       LEU  15  -1.052  -6.960   4.328
  120    HG   LEU  15           HG       LEU  15   1.147  -5.158   5.190
  121   1HD1  LEU  15          1HD1      LEU  15   1.537  -7.334   3.141
  122   2HD1  LEU  15          2HD1      LEU  15   2.329  -7.245   4.714
  123   3HD1  LEU  15          3HD1      LEU  15   2.659  -6.020   3.490
  124   1HD2  LEU  15          1HD2      LEU  15   0.707  -4.066   3.226
  125   2HD2  LEU  15          2HD2      LEU  15  -0.881  -4.758   3.557
  126   3HD2  LEU  15          3HD2      LEU  15   0.193  -5.533   2.394
  127    H    MET  16           H        MET  16  -2.935  -5.257   4.891
  128    HA   MET  16           HA       MET  16  -2.114  -2.565   4.589
  129   1HB   MET  16          2HB       MET  16  -4.787  -3.916   4.193
  130   2HB   MET  16          1HB       MET  16  -4.508  -2.219   3.827
  131   1HG   MET  16          2HG       MET  16  -3.074  -4.549   2.573
  132   2HG   MET  16          1HG       MET  16  -4.366  -3.607   1.833
  133   1HE   MET  16          1HE       MET  16  -4.156  -0.947   1.515
  134   2HE   MET  16          2HE       MET  16  -2.630  -0.066   1.575
  135   3HE   MET  16          3HE       MET  16  -3.375  -0.639   3.066
  136    H    ARG  17           H        ARG  17  -4.340  -4.154   6.845
  137    HA   ARG  17           HA       ARG  17  -5.325  -1.785   8.039
  138   1HB   ARG  17          2HB       ARG  17  -5.218  -4.659   8.921
  139   2HB   ARG  17          1HB       ARG  17  -5.818  -3.405   9.999
  140   1HG   ARG  17          2HG       ARG  17  -7.279  -2.829   7.841
  141   2HG   ARG  17          1HG       ARG  17  -7.030  -4.554   7.561
  142   1HD   ARG  17          2HD       ARG  17  -8.025  -3.441  10.175
  143   2HD   ARG  17          1HD       ARG  17  -9.103  -3.914   8.865
  144    HE   ARG  17           HE       ARG  17  -7.312  -6.019   9.503
  145   1HH1  ARG  17          1HH1      ARG  17 -10.196  -4.412  10.676
  146   2HH1  ARG  17          2HH1      ARG  17 -10.780  -5.806  11.516
  147   1HH2  ARG  17          1HH2      ARG  17  -8.092  -7.856  10.619
  148   2HH2  ARG  17          2HH2      ARG  17  -9.587  -7.758  11.484
  149    H    GLN  18           H        GLN  18  -2.534  -3.843   8.738
  150    HA   GLN  18           HA       GLN  18  -1.831  -2.617  11.191
  151   1HB   GLN  18          2HB       GLN  18  -1.003  -4.845  10.022
  152   2HB   GLN  18          1HB       GLN  18   0.270  -3.789   9.428
  153   1HG   GLN  18          2HG       GLN  18   0.692  -3.126  11.813
  154   2HG   GLN  18          1HG       GLN  18  -0.415  -4.414  12.285
  155   1HE2  GLN  18          1HE2      GLN  18   0.258  -6.389  10.492
  156   2HE2  GLN  18          2HE2      GLN  18   1.878  -6.909  10.789
  157    H    LEU  19           H        LEU  19  -0.657  -2.101   7.861
  158    HA   LEU  19           HA       LEU  19   1.139  -0.017   8.575
  159   1HB   LEU  19          2HB       LEU  19   1.275   0.442   6.162
  160   2HB   LEU  19          1HB       LEU  19   1.512  -1.249   6.549
  161    HG   LEU  19           HG       LEU  19  -1.077  -1.384   5.989
  162   1HD1  LEU  19          1HD1      LEU  19  -0.494   0.532   3.859
  163   2HD1  LEU  19          2HD1      LEU  19  -0.683   1.262   5.453
  164   3HD1  LEU  19          3HD1      LEU  19  -1.975   0.269   4.780
  165   1HD2  LEU  19          1HD2      LEU  19   1.382  -1.741   4.500
  166   2HD2  LEU  19          2HD2      LEU  19   0.009  -1.408   3.444
  167   3HD2  LEU  19          3HD2      LEU  19  -0.055  -2.761   4.572
  168    H    GLN  20           H        GLN  20  -2.213  -0.047   7.454
  169    HA   GLN  20           HA       GLN  20  -2.440   2.754   7.078
  170   1HB   GLN  20          2HB       GLN  20  -3.970   0.937   6.161
  171   2HB   GLN  20          1HB       GLN  20  -4.713   0.893   7.754
  172   1HG   GLN  20          2HG       GLN  20  -4.624   3.597   6.942
  173   2HG   GLN  20          1HG       GLN  20  -5.230   2.652   5.581
  174   1HE2  GLN  20          1HE2      GLN  20  -7.359   2.582   5.545
  175   2HE2  GLN  20          2HE2      GLN  20  -8.401   2.500   6.919
  176    H    ARG  21           H        ARG  21  -2.999   0.638   9.837
  177    HA   ARG  21           HA       ARG  21  -4.244   2.555  11.511
  178   1HB   ARG  21          2HB       ARG  21  -4.272   0.043  11.781
  179   2HB   ARG  21          1HB       ARG  21  -2.635   0.167  12.408
  180   1HG   ARG  21          2HG       ARG  21  -3.930   1.970  13.972
  181   2HG   ARG  21          1HG       ARG  21  -5.204   0.784  13.679
  182   1HD   ARG  21          2HD       ARG  21  -2.682  -0.504  14.280
  183   2HD   ARG  21          1HD       ARG  21  -3.147   0.618  15.557
  184    HE   ARG  21           HE       ARG  21  -4.903  -0.757  16.104
  185   1HH1  ARG  21          1HH1      ARG  21  -3.557  -1.790  13.037
  186   2HH1  ARG  21          2HH1      ARG  21  -4.464  -3.263  12.994
  187   1HH2  ARG  21          1HH2      ARG  21  -6.099  -2.698  16.039
  188   2HH2  ARG  21          2HH2      ARG  21  -5.907  -3.779  14.699
  189    H    LYS  22           H        LYS  22  -0.975   2.188  10.541
  190    HA   LYS  22           HA       LYS  22   0.543   2.920  12.685
  191   1HB   LYS  22          2HB       LYS  22   1.144   2.515  10.155
  192   2HB   LYS  22          1HB       LYS  22   1.076   4.267  10.066
  193   1HG   LYS  22          2HG       LYS  22   3.122   4.414  10.893
  194   2HG   LYS  22          1HG       LYS  22   2.632   3.528  12.340
  195   1HD   LYS  22          2HD       LYS  22   2.866   1.437  10.793
  196   2HD   LYS  22          1HD       LYS  22   3.865   2.509   9.814
  197   1HE   LYS  22          2HE       LYS  22   5.462   1.597  11.173
  198   2HE   LYS  22          1HE       LYS  22   5.016   3.013  12.124
  199   1HZ   LYS  22          1HZ       LYS  22   3.510   1.596  13.411
  200   2HZ   LYS  22          2HZ       LYS  22   5.111   1.066  13.519
  201   3HZ   LYS  22          3HZ       LYS  22   4.014   0.244  12.526
  202    H    ASP  23           H        ASP  23  -0.474   5.404  10.309
  203    HA   ASP  23           HA       ASP  23  -1.828   7.160  11.831
  204   1HB   ASP  23          2HB       ASP  23   0.866   7.060  12.808
  205   2HB   ASP  23          1HB       ASP  23   0.547   8.655  12.143
  206    HA   PRO  24           HA       PRO  24   0.558   9.737   8.419
  207   1HB   PRO  24          2HB       PRO  24   2.052   7.529   7.128
  208   2HB   PRO  24          1HB       PRO  24   2.576   9.172   7.506
  209   1HG   PRO  24          2HG       PRO  24   3.461   7.094   8.926
  210   2HG   PRO  24          1HG       PRO  24   3.096   8.645   9.701
  211   1HD   PRO  24          2HD       PRO  24   1.485   6.131   9.660
  212   2HD   PRO  24          1HD       PRO  24   1.771   7.272  10.987
  213    H    SER  25           H        SER  25  -0.675   6.494   8.072
  214    HA   SER  25           HA       SER  25  -1.375   6.572   5.339
  215   1HB   SER  25          2HB       SER  25  -1.704   4.763   7.541
  216   2HB   SER  25          1HB       SER  25  -3.245   4.936   6.701
  217    HG   SER  25           HG       SER  25  -2.449   3.758   5.167
  218    H    ALA  26           H        ALA  26  -2.833   7.996   8.140
  219    HA   ALA  26           HA       ALA  26  -5.503   8.190   7.409
  220   1HB   ALA  26          1HB       ALA  26  -4.241  10.532   8.725
  221   2HB   ALA  26          2HB       ALA  26  -4.167   8.975   9.549
  222   3HB   ALA  26          3HB       ALA  26  -5.728   9.673   9.122
  223    H    PHE  27           H        PHE  27  -2.757   9.932   6.123
  224    HA   PHE  27           HA       PHE  27  -4.244  12.084   4.983
  225   1HB   PHE  27          2HB       PHE  27  -1.464  11.034   4.458
  226   2HB   PHE  27          1HB       PHE  27  -2.134  12.430   3.621
  227    HD1  PHE  27           2HD      PHE  27  -1.010  11.133   6.873
  228    HD2  PHE  27           1HD      PHE  27  -2.358  14.541   4.709
  229    HE1  PHE  27           2HE      PHE  27  -0.298  12.586   8.726
  230    HE2  PHE  27           1HE      PHE  27  -1.649  16.000   6.559
  231    HZ   PHE  27           HZ       PHE  27  -0.617  15.024   8.570
  232    H    PHE  28           H        PHE  28  -2.778   9.151   3.553
  233    HA   PHE  28           HA       PHE  28  -4.359   9.617   1.121
  234   1HB   PHE  28          2HB       PHE  28  -2.221   7.519   1.448
  235   2HB   PHE  28          1HB       PHE  28  -2.832   8.237  -0.039
  236    HD1  PHE  28           1HD      PHE  28  -2.498  10.865  -0.176
  237    HD2  PHE  28           2HD      PHE  28  -0.181   8.224   2.224
  238    HE1  PHE  28           1HE      PHE  28  -0.678  12.516  -0.124
  239    HE2  PHE  28           2HE      PHE  28   1.645   9.870   2.280
  240    HZ   PHE  28           HZ       PHE  28   1.398  12.021   1.105
  241    H    SER  29           H        SER  29  -5.592   8.627   3.564
  242    HA   SER  29           HA       SER  29  -6.049   5.809   3.247
  243   1HB   SER  29          2HB       SER  29  -6.168   7.246   5.414
  244   2HB   SER  29          1HB       SER  29  -7.808   7.614   4.881
  245    HG   SER  29           HG       SER  29  -6.697   5.160   5.679
  246    H    PHE  30           H        PHE  30  -7.238   8.508   1.620
  247    HA   PHE  30           HA       PHE  30  -9.595   6.999   0.731
  248   1HB   PHE  30          2HB       PHE  30 -10.361   9.525   0.207
  249   2HB   PHE  30          1HB       PHE  30 -10.751   8.700   1.707
  250    HD1  PHE  30           1HD      PHE  30  -8.076  10.830   0.217
  251    HD2  PHE  30           2HD      PHE  30 -10.295   9.771   3.691
  252    HE1  PHE  30           1HE      PHE  30  -6.953  12.620   1.475
  253    HE2  PHE  30           2HE      PHE  30  -9.176  11.558   4.954
  254    HZ   PHE  30           HZ       PHE  30  -7.504  12.988   3.848
  255    HA   PRO  31           HA       PRO  31  -8.076   7.448  -3.385
  256   1HB   PRO  31          2HB       PRO  31 -10.341   7.884  -4.830
  257   2HB   PRO  31          1HB       PRO  31  -9.918   6.311  -4.146
  258   1HG   PRO  31          2HG       PRO  31 -11.810   8.381  -3.105
  259   2HG   PRO  31          1HG       PRO  31 -12.001   6.619  -3.171
  260   1HD   PRO  31          2HD       PRO  31 -11.303   7.924  -0.903
  261   2HD   PRO  31          1HD       PRO  31 -10.734   6.283  -1.275
  262    H    VAL  32           H        VAL  32  -6.833   9.271  -3.531
  263    HA   VAL  32           HA       VAL  32  -7.766  11.899  -3.323
  264    HB   VAL  32           HB       VAL  32  -5.637  12.488  -4.652
  265   1HG1  VAL  32          1HG1      VAL  32  -5.538  11.063  -1.999
  266   2HG1  VAL  32          2HG1      VAL  32  -5.823  12.783  -2.274
  267   3HG1  VAL  32          3HG1      VAL  32  -4.249  12.078  -2.649
  268   1HG2  VAL  32          1HG2      VAL  32  -4.439   9.962  -3.902
  269   2HG2  VAL  32          2HG2      VAL  32  -4.304  10.878  -5.400
  270   3HG2  VAL  32          3HG2      VAL  32  -5.665   9.786  -5.154
  271    H    THR  33           H        THR  33  -7.907  13.555  -4.933
  272    HA   THR  33           HA       THR  33  -8.389  12.694  -7.674
  273    HB   THR  33           HB       THR  33 -10.588  13.849  -7.726
  274    HG1  THR  33           1HG      THR  33 -11.550  14.445  -5.786
  275   1HG2  THR  33          1HG2      THR  33 -10.504  11.405  -7.327
  276   2HG2  THR  33          2HG2      THR  33 -11.916  12.196  -6.629
  277   3HG2  THR  33          3HG2      THR  33 -10.567  11.728  -5.594
  278    H    ASP  34           H        ASP  34  -9.450  14.989  -8.710
  279    HA   ASP  34           HA       ASP  34  -7.199  16.721  -8.775
  280   1HB   ASP  34          2HB       ASP  34  -9.268  16.196 -10.476
  281   2HB   ASP  34          1HB       ASP  34  -9.728  17.773  -9.847
  282    H    PHE  35           H        PHE  35  -9.712  16.485  -6.553
  283    HA   PHE  35           HA       PHE  35  -9.364  19.293  -5.734
  284   1HB   PHE  35          2HB       PHE  35 -11.641  19.027  -6.421
  285   2HB   PHE  35          1HB       PHE  35 -11.786  17.496  -5.567
  286    HD1  PHE  35           1HD      PHE  35 -11.823  17.489  -3.072
  287    HD2  PHE  35           2HD      PHE  35 -12.067  21.075  -5.344
  288    HE1  PHE  35           1HE      PHE  35 -12.722  18.669  -1.104
  289    HE2  PHE  35           2HE      PHE  35 -12.964  22.263  -3.385
  290    HZ   PHE  35           HZ       PHE  35 -13.292  21.061  -1.262
  291    H    ILE  36           H        ILE  36  -9.889  15.954  -4.668
  292    HA   ILE  36           HA       ILE  36  -9.527  16.396  -1.911
  293    HB   ILE  36           HB       ILE  36  -9.287  13.958  -3.657
  294   1HG1  ILE  36          2HG1      ILE  36 -11.193  14.474  -1.381
  295   2HG1  ILE  36          1HG1      ILE  36 -11.516  15.054  -3.012
  296   1HG2  ILE  36          1HG2      ILE  36  -7.709  13.482  -1.991
  297   2HG2  ILE  36          2HG2      ILE  36  -9.189  12.663  -1.488
  298   3HG2  ILE  36          3HG2      ILE  36  -8.713  14.180  -0.722
  299   1HD1  ILE  36          1HD1      ILE  36 -12.675  13.021  -2.779
  300   2HD1  ILE  36          2HD1      ILE  36 -11.275  12.215  -2.072
  301   3HD1  ILE  36          3HD1      ILE  36 -11.264  12.668  -3.777
  302    H    ALA  37           H        ALA  37  -7.278  15.749  -4.547
  303    HA   ALA  37           HA       ALA  37  -5.014  15.893  -2.667
  304   1HB   ALA  37          1HB       ALA  37  -4.399  14.036  -3.748
  305   2HB   ALA  37          2HB       ALA  37  -3.953  15.112  -5.069
  306   3HB   ALA  37          3HB       ALA  37  -5.529  14.323  -5.069
  307    HA   PRO  38           HA       PRO  38  -3.627  19.715  -4.372
  308   1HB   PRO  38          2HB       PRO  38  -0.949  19.413  -4.574
  309   2HB   PRO  38          1HB       PRO  38  -1.774  19.604  -3.024
  310   1HG   PRO  38          2HG       PRO  38  -0.804  17.112  -4.369
  311   2HG   PRO  38          1HG       PRO  38  -0.696  17.576  -2.661
  312   1HD   PRO  38          2HD       PRO  38  -2.566  15.851  -3.592
  313   2HD   PRO  38          1HD       PRO  38  -2.862  16.933  -2.219
  314    H    GLY  39           H        GLY  39  -3.519  17.034  -6.171
  315   1HA   GLY  39          2HA       GLY  39  -3.989  17.717  -8.617
  316   2HA   GLY  39          1HA       GLY  39  -2.327  18.285  -8.538
  317    H    TYR  40           H        TYR  40  -3.489  15.363  -6.945
  318    HA   TYR  40           HA       TYR  40  -1.437  13.754  -7.978
  319   1HB   TYR  40          2HB       TYR  40  -4.007  13.201  -6.534
  320   2HB   TYR  40          1HB       TYR  40  -3.151  11.855  -7.280
  321    HD1  TYR  40           2HD      TYR  40  -2.088  14.865  -5.318
  322    HD2  TYR  40           1HD      TYR  40  -1.967  10.618  -5.705
  323    HE1  TYR  40           2HE      TYR  40  -0.605  14.732  -3.368
  324    HE2  TYR  40           1HE      TYR  40  -0.486  10.485  -3.753
  325    HH   TYR  40           HH       TYR  40   0.275  13.303  -1.802
  326    H    SER  41           H        SER  41  -4.865  14.007  -8.908
  327    HA   SER  41           HA       SER  41  -4.780  12.125 -10.994
  328   1HB   SER  41          2HB       SER  41  -6.602  14.422 -10.346
  329   2HB   SER  41          1HB       SER  41  -6.791  13.542 -11.864
  330    HG   SER  41           HG       SER  41  -6.851  12.418  -9.254
  331    H    MET  42           H        MET  42  -3.666  15.420 -10.860
  332    HA   MET  42           HA       MET  42  -3.670  15.875 -13.681
  333   1HB   MET  42          2HB       MET  42  -3.158  17.393 -11.326
  334   2HB   MET  42          1HB       MET  42  -1.770  17.557 -12.392
  335   1HG   MET  42          2HG       MET  42  -3.887  17.878 -14.105
  336   2HG   MET  42          1HG       MET  42  -4.454  18.651 -12.627
  337   1HE   MET  42          1HE       MET  42  -2.564  20.959 -15.634
  338   2HE   MET  42          2HE       MET  42  -4.205  20.575 -15.118
  339   3HE   MET  42          3HE       MET  42  -3.184  19.319 -15.812
  340    H    ILE  43           H        ILE  43  -1.062  15.141 -11.337
  341    HA   ILE  43           HA       ILE  43   0.734  14.638 -13.602
  342    HB   ILE  43           HB       ILE  43   1.262  16.127 -11.485
  343   1HG1  ILE  43          2HG1      ILE  43   3.522  14.354 -12.270
  344   2HG1  ILE  43          1HG1      ILE  43   2.702  15.250 -13.544
  345   1HG2  ILE  43          1HG2      ILE  43   2.614  14.906  -9.833
  346   2HG2  ILE  43          2HG2      ILE  43   2.101  13.387 -10.564
  347   3HG2  ILE  43          3HG2      ILE  43   0.911  14.445  -9.800
  348   1HD1  ILE  43          1HD1      ILE  43   4.230  16.812 -13.039
  349   2HD1  ILE  43          2HD1      ILE  43   4.477  16.196 -11.404
  350   3HD1  ILE  43          3HD1      ILE  43   3.086  17.220 -11.758
  351    H    ILE  44           H        ILE  44  -0.400  13.089 -10.617
  352    HA   ILE  44           HA       ILE  44   0.827  10.569 -11.414
  353    HB   ILE  44           HB       ILE  44  -0.531  11.487  -8.881
  354   1HG1  ILE  44          2HG1      ILE  44   1.749  12.205  -9.072
  355   2HG1  ILE  44          1HG1      ILE  44   1.697  10.887  -7.909
  356   1HG2  ILE  44          1HG2      ILE  44   0.397   8.697  -9.545
  357   2HG2  ILE  44          2HG2      ILE  44  -1.259   9.211  -9.235
  358   3HG2  ILE  44          3HG2      ILE  44  -0.069   9.256  -7.939
  359   1HD1  ILE  44          1HD1      ILE  44   3.550  10.356  -9.148
  360   2HD1  ILE  44          2HD1      ILE  44   2.849  10.951 -10.652
  361   3HD1  ILE  44          3HD1      ILE  44   2.305   9.418  -9.971
  362    H    LYS  45           H        LYS  45  -0.449  10.011 -13.182
  363    HA   LYS  45           HA       LYS  45  -3.192  10.072 -13.418
  364   1HB   LYS  45          2HB       LYS  45  -1.075   9.067 -14.911
  365   2HB   LYS  45          1HB       LYS  45  -2.085   7.659 -14.606
  366   1HG   LYS  45          2HG       LYS  45  -4.034   9.078 -15.427
  367   2HG   LYS  45          1HG       LYS  45  -2.812  10.209 -16.017
  368   1HD   LYS  45          2HD       LYS  45  -1.795   8.309 -17.294
  369   2HD   LYS  45          1HD       LYS  45  -3.181   7.324 -16.820
  370   1HE   LYS  45          2HE       LYS  45  -4.422   9.525 -17.814
  371   2HE   LYS  45          1HE       LYS  45  -2.974   9.477 -18.819
  372   1HZ   LYS  45          1HZ       LYS  45  -3.651   6.963 -19.017
  373   2HZ   LYS  45          2HZ       LYS  45  -4.353   8.135 -20.014
  374   3HZ   LYS  45          3HZ       LYS  45  -5.190   7.568 -18.658
  375    H    HIS  46           H        HIS  46  -1.218   7.411 -12.085
  376    HA   HIS  46           HA       HIS  46  -3.690   6.340 -10.894
  377   1HB   HIS  46          2HB       HIS  46  -1.891   5.071 -12.717
  378   2HB   HIS  46          1HB       HIS  46  -1.806   4.235 -11.171
  379    HD1  HIS  46           1HD      HIS  46  -4.695   4.281 -10.272
  380    HD2  HIS  46           2HD      HIS  46  -3.543   3.519 -14.189
  381    HE1  HIS  46           1HE      HIS  46  -6.603   3.006 -11.296
  382    HE2  HIS  46           2HE      HIS  46  -5.919   2.626 -13.690
  383    HA   PRO  47           HA       PRO  47  -0.782   7.141  -7.415
  384   1HB   PRO  47          2HB       PRO  47  -2.641   8.101  -5.704
  385   2HB   PRO  47          1HB       PRO  47  -1.858   9.111  -6.922
  386   1HG   PRO  47          2HG       PRO  47  -4.573   7.879  -6.935
  387   2HG   PRO  47          1HG       PRO  47  -4.051   9.460  -7.539
  388   1HD   PRO  47          2HD       PRO  47  -4.490   7.254  -9.131
  389   2HD   PRO  47          1HD       PRO  47  -3.443   8.616  -9.566
  390    H    MET  48           H        MET  48  -4.011   5.695  -7.356
  391    HA   MET  48           HA       MET  48  -4.925   3.955  -6.214
  392   1HB   MET  48          2HB       MET  48  -2.122   2.843  -6.100
  393   2HB   MET  48          1HB       MET  48  -3.634   1.949  -6.140
  394   1HG   MET  48          2HG       MET  48  -3.208   3.715  -8.440
  395   2HG   MET  48          1HG       MET  48  -2.031   2.413  -8.287
  396   1HE   MET  48          1HE       MET  48  -5.792   3.154  -7.882
  397   2HE   MET  48          2HE       MET  48  -5.711   1.706  -6.880
  398   3HE   MET  48          3HE       MET  48  -6.576   1.667  -8.415
  399    H    ASP  49           H        ASP  49  -5.458   5.196  -4.374
  400    HA   ASP  49           HA       ASP  49  -3.672   5.428  -2.145
  401   1HB   ASP  49          2HB       ASP  49  -6.646   5.923  -2.368
  402   2HB   ASP  49          1HB       ASP  49  -5.675   6.301  -0.949
  403    H    PHE  50           H        PHE  50  -4.445   4.715   0.072
  404    HA   PHE  50           HA       PHE  50  -4.435   1.915   0.193
  405   1HB   PHE  50          2HB       PHE  50  -5.420   3.692   2.423
  406   2HB   PHE  50          1HB       PHE  50  -4.626   2.124   2.553
  407    HD1  PHE  50           1HD      PHE  50  -2.295   2.285   0.939
  408    HD2  PHE  50           2HD      PHE  50  -4.080   5.326   3.323
  409    HE1  PHE  50           1HE      PHE  50  -0.120   3.415   1.119
  410    HE2  PHE  50           2HE      PHE  50  -1.907   6.460   3.507
  411    HZ   PHE  50           HZ       PHE  50   0.078   5.507   2.404
  412    H    SER  51           H        SER  51  -7.113   4.199   0.172
  413    HA   SER  51           HA       SER  51  -9.107   2.337   0.995
  414   1HB   SER  51          2HB       SER  51  -9.024   5.101   0.375
  415   2HB   SER  51          1HB       SER  51 -10.222   4.377  -0.697
  416    HG   SER  51           HG       SER  51 -11.354   4.770   1.103
  417    H    THR  52           H        THR  52  -7.896   3.405  -2.165
  418    HA   THR  52           HA       THR  52  -9.792   1.993  -3.717
  419    HB   THR  52           HB       THR  52  -7.060   2.440  -4.807
  420    HG1  THR  52           1HG      THR  52  -8.791   4.555  -4.046
  421   1HG2  THR  52          1HG2      THR  52  -8.081   2.732  -6.772
  422   2HG2  THR  52          2HG2      THR  52  -9.403   3.664  -6.070
  423   3HG2  THR  52          3HG2      THR  52  -9.422   1.902  -5.984
  424    H    MET  53           H        MET  53  -6.444   1.192  -2.778
  425    HA   MET  53           HA       MET  53  -6.435  -1.339  -4.041
  426   1HB   MET  53          2HB       MET  53  -4.395  -1.788  -2.771
  427   2HB   MET  53          1HB       MET  53  -4.357  -0.185  -3.487
  428   1HG   MET  53          2HG       MET  53  -5.093   0.710  -1.257
  429   2HG   MET  53          1HG       MET  53  -4.813  -0.905  -0.607
  430   1HE   MET  53          1HE       MET  53  -1.081  -1.462  -0.876
  431   2HE   MET  53          2HE       MET  53  -1.895  -1.627  -2.431
  432   3HE   MET  53          3HE       MET  53  -2.690  -2.182  -0.956
  433    H    LYS  54           H        LYS  54  -7.108  -0.375  -0.670
  434    HA   LYS  54           HA       LYS  54  -7.365  -2.956   0.390
  435   1HB   LYS  54          2HB       LYS  54  -7.263  -0.811   1.703
  436   2HB   LYS  54          1HB       LYS  54  -8.944  -0.532   1.270
  437   1HG   LYS  54          2HG       LYS  54  -8.119  -3.067   2.630
  438   2HG   LYS  54          1HG       LYS  54  -8.389  -1.589   3.553
  439   1HD   LYS  54          2HD       LYS  54 -10.593  -1.749   1.878
  440   2HD   LYS  54          1HD       LYS  54 -10.308  -3.420   2.367
  441   1HE   LYS  54          2HE       LYS  54 -10.864  -3.021   4.520
  442   2HE   LYS  54          1HE       LYS  54 -10.145  -1.412   4.518
  443   1HZ   LYS  54          1HZ       LYS  54 -12.719  -2.069   3.191
  444   2HZ   LYS  54          2HZ       LYS  54 -12.057  -0.531   3.431
  445   3HZ   LYS  54          3HZ       LYS  54 -12.599  -1.434   4.756
  446    H    GLU  55           H        GLU  55  -9.793  -0.840  -1.121
  447    HA   GLU  55           HA       GLU  55 -11.996  -2.574  -0.738
  448   1HB   GLU  55          2HB       GLU  55 -12.153  -0.148  -1.344
  449   2HB   GLU  55          1HB       GLU  55 -11.613  -0.561  -2.964
  450   1HG   GLU  55          2HG       GLU  55 -13.700  -0.980  -3.553
  451   2HG   GLU  55          1HG       GLU  55 -13.793  -2.252  -2.338
  452    H    LYS  56           H        LYS  56  -9.571  -2.273  -3.267
  453    HA   LYS  56           HA       LYS  56 -10.740  -4.068  -5.115
  454   1HB   LYS  56          2HB       LYS  56  -8.329  -2.518  -4.902
  455   2HB   LYS  56          1HB       LYS  56  -7.927  -4.153  -5.403
  456   1HG   LYS  56          2HG       LYS  56  -8.297  -3.288  -7.447
  457   2HG   LYS  56          1HG       LYS  56  -9.968  -3.702  -7.063
  458   1HD   LYS  56          2HD       LYS  56  -9.558  -1.168  -5.953
  459   2HD   LYS  56          1HD       LYS  56  -8.776  -1.118  -7.533
  460   1HE   LYS  56          2HE       LYS  56 -10.967  -0.466  -7.981
  461   2HE   LYS  56          1HE       LYS  56 -10.941  -2.174  -8.416
  462   1HZ   LYS  56          1HZ       LYS  56 -11.690  -1.568  -5.669
  463   2HZ   LYS  56          2HZ       LYS  56 -12.324  -2.714  -6.740
  464   3HZ   LYS  56          3HZ       LYS  56 -12.799  -1.096  -6.860
  465    H    ILE  57           H        ILE  57  -8.363  -4.506  -2.502
  466    HA   ILE  57           HA       ILE  57  -7.728  -7.186  -3.016
  467    HB   ILE  57           HB       ILE  57  -7.841  -5.863  -0.301
  468   1HG1  ILE  57          2HG1      ILE  57  -5.268  -6.238  -1.729
  469   2HG1  ILE  57          1HG1      ILE  57  -6.328  -4.983  -2.359
  470   1HG2  ILE  57          1HG2      ILE  57  -5.786  -7.831  -0.588
  471   2HG2  ILE  57          2HG2      ILE  57  -7.338  -8.535  -1.040
  472   3HG2  ILE  57          3HG2      ILE  57  -7.135  -7.790   0.546
  473   1HD1  ILE  57          1HD1      ILE  57  -4.581  -4.886  -0.132
  474   2HD1  ILE  57          2HD1      ILE  57  -6.233  -4.694   0.452
  475   3HD1  ILE  57          3HD1      ILE  57  -5.605  -3.609  -0.788
  476    H    LYS  58           H        LYS  58 -10.372  -5.758  -1.137
  477    HA   LYS  58           HA       LYS  58 -11.381  -8.109   0.002
  478   1HB   LYS  58          2HB       LYS  58 -12.609  -5.460  -0.698
  479   2HB   LYS  58          1HB       LYS  58 -13.617  -6.768  -0.091
  480   1HG   LYS  58          2HG       LYS  58 -11.184  -5.745   1.354
  481   2HG   LYS  58          1HG       LYS  58 -12.814  -5.132   1.628
  482   1HD   LYS  58          2HD       LYS  58 -12.273  -8.070   1.806
  483   2HD   LYS  58          1HD       LYS  58 -11.860  -7.017   3.159
  484   1HE   LYS  58          2HE       LYS  58 -14.586  -7.297   1.893
  485   2HE   LYS  58          1HE       LYS  58 -14.084  -7.993   3.433
  486   1HZ   LYS  58          1HZ       LYS  58 -13.512  -5.443   3.868
  487   2HZ   LYS  58          2HZ       LYS  58 -15.026  -6.110   4.211
  488   3HZ   LYS  58          3HZ       LYS  58 -14.789  -5.245   2.778
  489    H    ASN  59           H        ASN  59 -11.531  -6.972  -3.275
  490    HA   ASN  59           HA       ASN  59 -13.613  -8.933  -3.939
  491   1HB   ASN  59          2HB       ASN  59 -12.633  -6.417  -5.207
  492   2HB   ASN  59          1HB       ASN  59 -13.291  -7.670  -6.253
  493   1HD2  ASN  59          1HD2      ASN  59 -14.009  -5.126  -4.126
  494   2HD2  ASN  59          2HD2      ASN  59 -15.723  -5.326  -4.087
  495    H    ASN  60           H        ASN  60 -10.655  -9.435  -3.381
  496    HA   ASN  60           HA       ASN  60  -9.013 -10.808  -4.116
  497   1HB   ASN  60          2HB       ASN  60 -11.396 -11.907  -5.138
  498   2HB   ASN  60          1HB       ASN  60 -10.233 -11.958  -6.460
  499   1HD2  ASN  60          1HD2      ASN  60 -10.249 -12.507  -2.949
  500   2HD2  ASN  60          2HD2      ASN  60  -9.348 -13.980  -3.008
  501    H    ASP  61           H        ASP  61  -9.515  -8.085  -5.356
  502    HA   ASP  61           HA       ASP  61  -8.526  -8.232  -8.034
  503   1HB   ASP  61          2HB       ASP  61  -9.806  -6.303  -6.738
  504   2HB   ASP  61          1HB       ASP  61  -8.168  -5.777  -6.370
  505    H    TYR  62           H        TYR  62  -7.112  -7.784  -4.847
  506    HA   TYR  62           HA       TYR  62  -4.439  -8.038  -6.046
  507   1HB   TYR  62          2HB       TYR  62  -5.255  -6.401  -3.637
  508   2HB   TYR  62          1HB       TYR  62  -3.586  -6.693  -4.116
  509    HD1  TYR  62           1HD      TYR  62  -3.203  -6.158  -6.759
  510    HD2  TYR  62           2HD      TYR  62  -6.127  -4.361  -4.244
  511    HE1  TYR  62           1HE      TYR  62  -3.323  -4.233  -8.283
  512    HE2  TYR  62           2HE      TYR  62  -6.251  -2.429  -5.757
  513    HH   TYR  62           HH       TYR  62  -3.993  -1.919  -8.290
  514    H    GLN  63           H        GLN  63  -3.733 -10.001  -5.649
  515    HA   GLN  63           HA       GLN  63  -3.780 -11.029  -2.927
  516   1HB   GLN  63          2HB       GLN  63  -5.773 -11.894  -4.379
  517   2HB   GLN  63          1HB       GLN  63  -4.547 -12.877  -5.167
  518   1HG   GLN  63          2HG       GLN  63  -4.015 -13.408  -2.575
  519   2HG   GLN  63          1HG       GLN  63  -5.755 -13.128  -2.502
  520   1HE2  GLN  63          1HE2      GLN  63  -3.292 -15.305  -3.310
  521   2HE2  GLN  63          2HE2      GLN  63  -4.273 -16.533  -4.022
  522    H    SER  64           H        SER  64  -1.878  -9.973  -5.039
  523    HA   SER  64           HA       SER  64   0.043 -12.185  -4.913
  524   1HB   SER  64          2HB       SER  64   0.348 -10.254  -7.142
  525   2HB   SER  64          1HB       SER  64   0.606 -11.997  -7.119
  526    HG   SER  64           HG       SER  64  -1.492 -12.331  -7.546
  527    H    ILE  65           H        ILE  65   1.972 -11.656  -4.114
  528    HA   ILE  65           HA       ILE  65   2.398  -9.371  -2.630
  529    HB   ILE  65           HB       ILE  65   4.867  -9.983  -2.786
  530   1HG1  ILE  65          2HG1      ILE  65   4.537 -12.671  -3.598
  531   2HG1  ILE  65          1HG1      ILE  65   3.838 -11.675  -4.869
  532   1HG2  ILE  65          1HG2      ILE  65   4.582 -11.367  -1.032
  533   2HG2  ILE  65          2HG2      ILE  65   3.420 -12.385  -1.884
  534   3HG2  ILE  65          3HG2      ILE  65   2.907 -10.844  -1.195
  535   1HD1  ILE  65          1HD1      ILE  65   6.628 -12.049  -4.084
  536   2HD1  ILE  65          2HD1      ILE  65   6.173 -10.375  -4.400
  537   3HD1  ILE  65          3HD1      ILE  65   5.933 -11.603  -5.641
  538    H    GLU  66           H        GLU  66   3.334 -10.047  -5.977
  539    HA   GLU  66           HA       GLU  66   4.827  -7.651  -6.336
  540   1HB   GLU  66          2HB       GLU  66   4.499  -9.947  -7.789
  541   2HB   GLU  66          1HB       GLU  66   3.556  -8.798  -8.729
  542   1HG   GLU  66          2HG       GLU  66   5.602  -7.288  -8.629
  543   2HG   GLU  66          1HG       GLU  66   6.475  -8.706  -8.054
  544    H    GLU  67           H        GLU  67   1.456  -8.567  -6.938
  545    HA   GLU  67           HA       GLU  67   0.700  -6.176  -8.265
  546   1HB   GLU  67          2HB       GLU  67  -0.870  -8.320  -6.839
  547   2HB   GLU  67          1HB       GLU  67  -1.642  -6.944  -7.616
  548   1HG   GLU  67          2HG       GLU  67  -0.169  -7.754  -9.664
  549   2HG   GLU  67          1HG       GLU  67  -0.282  -9.289  -8.808
  550    H    LEU  68           H        LEU  68   0.312  -7.255  -4.889
  551    HA   LEU  68           HA       LEU  68  -0.963  -4.873  -4.023
  552   1HB   LEU  68          2HB       LEU  68  -0.563  -5.681  -1.760
  553   2HB   LEU  68          1HB       LEU  68  -1.192  -6.955  -2.786
  554    HG   LEU  68           HG       LEU  68   1.388  -7.529  -3.056
  555   1HD1  LEU  68          1HD1      LEU  68   2.087  -7.175  -0.443
  556   2HD1  LEU  68          2HD1      LEU  68   1.285  -5.651  -0.820
  557   3HD1  LEU  68          3HD1      LEU  68   2.654  -6.189  -1.792
  558   1HD2  LEU  68          1HD2      LEU  68  -0.139  -9.147  -2.264
  559   2HD2  LEU  68          2HD2      LEU  68  -0.433  -8.248  -0.777
  560   3HD2  LEU  68          3HD2      LEU  68   1.124  -9.033  -1.039
  561    H    LYS  69           H        LYS  69   2.397  -5.894  -4.195
  562    HA   LYS  69           HA       LYS  69   3.459  -3.769  -2.642
  563   1HB   LYS  69          2HB       LYS  69   4.674  -5.886  -3.123
  564   2HB   LYS  69          1HB       LYS  69   4.844  -5.376  -4.797
  565   1HG   LYS  69          2HG       LYS  69   6.231  -3.529  -4.158
  566   2HG   LYS  69          1HG       LYS  69   5.933  -3.839  -2.447
  567   1HD   LYS  69          2HD       LYS  69   7.818  -5.041  -2.491
  568   2HD   LYS  69          1HD       LYS  69   6.884  -6.257  -3.364
  569   1HE   LYS  69          2HE       LYS  69   7.563  -4.591  -5.387
  570   2HE   LYS  69          1HE       LYS  69   8.959  -4.402  -4.326
  571   1HZ   LYS  69          1HZ       LYS  69   7.967  -7.092  -5.019
  572   2HZ   LYS  69          2HZ       LYS  69   9.516  -6.621  -4.529
  573   3HZ   LYS  69          3HZ       LYS  69   8.976  -6.253  -6.088
  574    H    ASP  70           H        ASP  70   3.073  -4.244  -6.150
  575    HA   ASP  70           HA       ASP  70   4.288  -1.865  -6.982
  576   1HB   ASP  70          2HB       ASP  70   3.145  -3.974  -8.273
  577   2HB   ASP  70          1HB       ASP  70   1.947  -2.718  -8.565
  578    H    ASN  71           H        ASN  71   0.931  -2.520  -6.045
  579    HA   ASN  71           HA       ASN  71  -0.090   0.032  -6.702
  580   1HB   ASN  71          2HB       ASN  71  -1.068  -2.390  -5.513
  581   2HB   ASN  71          1HB       ASN  71  -1.591  -1.020  -4.540
  582   1HD2  ASN  71          1HD2      ASN  71  -3.375  -0.037  -5.151
  583   2HD2  ASN  71          2HD2      ASN  71  -4.092  -0.120  -6.718
  584    H    PHE  72           H        PHE  72   1.007  -1.321  -3.584
  585    HA   PHE  72           HA       PHE  72   0.552   1.019  -2.068
  586   1HB   PHE  72          2HB       PHE  72   0.878  -1.233  -1.075
  587   2HB   PHE  72          1HB       PHE  72   2.570  -1.182  -1.555
  588    HD1  PHE  72           1HD      PHE  72   0.160   1.025   0.267
  589    HD2  PHE  72           2HD      PHE  72   4.052  -0.695   0.126
  590    HE1  PHE  72           1HE      PHE  72   0.724   2.132   2.390
  591    HE2  PHE  72           2HE      PHE  72   4.620   0.410   2.249
  592    HZ   PHE  72           HZ       PHE  72   2.954   1.826   3.382
  593    H    LYS  73           H        LYS  73   3.436  -0.228  -3.707
  594    HA   LYS  73           HA       LYS  73   5.161   1.873  -2.927
  595   1HB   LYS  73          2HB       LYS  73   5.591  -0.516  -4.062
  596   2HB   LYS  73          1HB       LYS  73   5.645   0.480  -5.508
  597   1HG   LYS  73          2HG       LYS  73   7.223   1.617  -3.361
  598   2HG   LYS  73          1HG       LYS  73   7.728  -0.028  -3.759
  599   1HD   LYS  73          2HD       LYS  73   8.197   0.533  -5.985
  600   2HD   LYS  73          1HD       LYS  73   7.277   2.035  -5.892
  601   1HE   LYS  73          2HE       LYS  73   8.933   3.026  -4.460
  602   2HE   LYS  73          1HE       LYS  73   9.798   1.495  -4.330
  603   1HZ   LYS  73          1HZ       LYS  73  10.752   1.761  -6.341
  604   2HZ   LYS  73          2HZ       LYS  73  10.473   3.402  -6.041
  605   3HZ   LYS  73          3HZ       LYS  73   9.408   2.529  -7.024
  606    H    LEU  74           H        LEU  74   2.970   1.442  -5.665
  607    HA   LEU  74           HA       LEU  74   3.888   3.551  -7.270
  608   1HB   LEU  74          2HB       LEU  74   1.364   2.014  -7.031
  609   2HB   LEU  74          1HB       LEU  74   1.245   3.575  -7.820
  610    HG   LEU  74           HG       LEU  74   3.279   1.544  -8.699
  611   1HD1  LEU  74          1HD1      LEU  74   1.804   0.378  -9.952
  612   2HD1  LEU  74          2HD1      LEU  74   0.743   1.765 -10.199
  613   3HD1  LEU  74          3HD1      LEU  74   0.687   0.871  -8.680
  614   1HD2  LEU  74          1HD2      LEU  74   3.174   4.079  -9.367
  615   2HD2  LEU  74          2HD2      LEU  74   1.898   3.524 -10.450
  616   3HD2  LEU  74          3HD2      LEU  74   3.520   2.844 -10.576
  617    H    MET  75           H        MET  75   1.405   3.536  -4.693
  618    HA   MET  75           HA       MET  75   0.755   6.281  -4.982
  619   1HB   MET  75          2HB       MET  75  -0.513   4.378  -3.704
  620   2HB   MET  75          1HB       MET  75   0.479   4.894  -2.346
  621   1HG   MET  75          2HG       MET  75  -1.106   6.896  -3.911
  622   2HG   MET  75          1HG       MET  75  -1.875   5.914  -2.663
  623   1HE   MET  75          1HE       MET  75  -0.051   6.829   0.535
  624   2HE   MET  75          2HE       MET  75   1.146   6.078  -0.519
  625   3HE   MET  75          3HE       MET  75  -0.507   5.464  -0.486
  626    H    CYS  76           H        CYS  76   3.065   4.566  -2.916
  627    HA   CYS  76           HA       CYS  76   3.857   6.803  -1.389
  628   1HB   CYS  76          2HB       CYS  76   4.983   4.099  -1.932
  629   2HB   CYS  76          1HB       CYS  76   6.068   5.314  -1.265
  630    HG   CYS  76           HG       CYS  76   4.548   3.743   0.481
  631    H    THR  77           H        THR  77   5.252   5.349  -4.332
  632    HA   THR  77           HA       THR  77   7.328   7.284  -4.580
  633    HB   THR  77           HB       THR  77   6.162   5.536  -6.754
  634    HG1  THR  77           1HG      THR  77   7.446   3.963  -6.065
  635   1HG2  THR  77          1HG2      THR  77   9.027   6.280  -6.626
  636   2HG2  THR  77          2HG2      THR  77   7.877   7.479  -7.216
  637   3HG2  THR  77          3HG2      THR  77   8.008   5.914  -8.019
  638    H    ASN  78           H        ASN  78   4.070   6.988  -5.942
  639    HA   ASN  78           HA       ASN  78   4.288   9.194  -7.715
  640   1HB   ASN  78          2HB       ASN  78   1.932   7.713  -6.560
  641   2HB   ASN  78          1HB       ASN  78   1.750   9.068  -7.655
  642   1HD2  ASN  78          1HD2      ASN  78   0.617   6.922  -8.546
  643   2HD2  ASN  78          2HD2      ASN  78   1.544   6.109  -9.749
  644    H    ALA  79           H        ALA  79   3.174   8.828  -4.384
  645    HA   ALA  79           HA       ALA  79   2.137  11.464  -4.127
  646   1HB   ALA  79          1HB       ALA  79   1.335   9.863  -2.585
  647   2HB   ALA  79          2HB       ALA  79   2.326  10.980  -1.649
  648   3HB   ALA  79          3HB       ALA  79   2.966   9.401  -2.099
  649    H    MET  80           H        MET  80   5.274   9.977  -3.372
  650    HA   MET  80           HA       MET  80   6.380  12.292  -2.164
  651   1HB   MET  80          2HB       MET  80   8.512  11.158  -2.285
  652   2HB   MET  80          1HB       MET  80   7.269  10.024  -1.779
  653   1HG   MET  80          2HG       MET  80   7.181   9.102  -4.028
  654   2HG   MET  80          1HG       MET  80   8.408  10.252  -4.558
  655   1HE   MET  80          1HE       MET  80  11.561   9.099  -2.591
  656   2HE   MET  80          2HE       MET  80  10.442  10.439  -2.346
  657   3HE   MET  80          3HE       MET  80  11.001  10.044  -3.971
  658    H    ILE  81           H        ILE  81   6.351  11.107  -5.511
  659    HA   ILE  81           HA       ILE  81   8.234  12.983  -6.488
  660    HB   ILE  81           HB       ILE  81   7.699  11.009  -7.802
  661   1HG1  ILE  81          2HG1      ILE  81   6.758  12.714  -9.859
  662   2HG1  ILE  81          1HG1      ILE  81   7.765  13.700  -8.803
  663   1HG2  ILE  81          1HG2      ILE  81   4.969  12.236  -8.123
  664   2HG2  ILE  81          2HG2      ILE  81   5.372  10.719  -7.323
  665   3HG2  ILE  81          3HG2      ILE  81   5.575  10.875  -9.065
  666   1HD1  ILE  81          1HD1      ILE  81   9.506  11.862  -9.022
  667   2HD1  ILE  81          2HD1      ILE  81   9.208  12.871 -10.437
  668   3HD1  ILE  81          3HD1      ILE  81   8.520  11.250 -10.350
  669    H    TYR  82           H        TYR  82   4.672  13.097  -6.223
  670    HA   TYR  82           HA       TYR  82   4.718  15.846  -7.228
  671   1HB   TYR  82          2HB       TYR  82   2.980  14.168  -8.009
  672   2HB   TYR  82          1HB       TYR  82   2.275  14.270  -6.397
  673    HD1  TYR  82           2HD      TYR  82   3.527  16.732  -8.940
  674    HD2  TYR  82           1HD      TYR  82   0.394  15.583  -6.298
  675    HE1  TYR  82           2HE      TYR  82   2.232  18.707  -9.623
  676    HE2  TYR  82           1HE      TYR  82  -0.902  17.552  -6.975
  677    HH   TYR  82           HH       TYR  82  -0.460  19.816  -7.940
  678    H    ASN  83           H        ASN  83   5.829  15.067  -4.574
  679    HA   ASN  83           HA       ASN  83   4.670  17.215  -3.073
  680   1HB   ASN  83          2HB       ASN  83   3.322  14.951  -2.645
  681   2HB   ASN  83          1HB       ASN  83   4.659  14.658  -1.536
  682   1HD2  ASN  83          1HD2      ASN  83   5.180  16.632  -0.119
  683   2HD2  ASN  83          2HD2      ASN  83   3.816  17.418   0.589
  684    H    LYS  84           H        LYS  84   6.716  18.084  -3.115
  685    HA   LYS  84           HA       LYS  84   9.069  16.683  -2.391
  686   1HB   LYS  84          2HB       LYS  84   8.347  19.570  -2.752
  687   2HB   LYS  84          1HB       LYS  84   9.890  19.155  -2.020
  688   1HG   LYS  84          2HG       LYS  84  10.707  19.015  -4.076
  689   2HG   LYS  84          1HG       LYS  84   9.757  17.541  -4.268
  690   1HD   LYS  84          2HD       LYS  84   8.879  18.652  -6.025
  691   2HD   LYS  84          1HD       LYS  84   7.868  19.397  -4.786
  692   1HE   LYS  84          2HE       LYS  84  10.450  20.717  -5.129
  693   2HE   LYS  84          1HE       LYS  84   9.459  20.735  -6.586
  694   1HZ   LYS  84          1HZ       LYS  84   7.618  21.588  -5.119
  695   2HZ   LYS  84          2HZ       LYS  84   8.902  22.657  -5.376
  696   3HZ   LYS  84          3HZ       LYS  84   8.782  21.819  -3.911
  697    HA   PRO  85           HA       PRO  85   9.165  16.733   2.009
  698   1HB   PRO  85          2HB       PRO  85  11.615  17.837   2.601
  699   2HB   PRO  85          1HB       PRO  85  11.379  16.168   2.073
  700   1HG   PRO  85          2HG       PRO  85  12.201  18.561   0.481
  701   2HG   PRO  85          1HG       PRO  85  12.823  16.902   0.411
  702   1HD   PRO  85          2HD       PRO  85  11.097  17.837  -1.419
  703   2HD   PRO  85          1HD       PRO  85  11.036  16.152  -0.857
  704    H    GLU  86           H        GLU  86   7.445  18.421   1.823
  705    HA   GLU  86           HA       GLU  86   8.209  21.155   2.361
  706   1HB   GLU  86          2HB       GLU  86   5.730  19.703   1.696
  707   2HB   GLU  86          1HB       GLU  86   5.514  21.091   2.752
  708   1HG   GLU  86          2HG       GLU  86   5.211  21.806   0.501
  709   2HG   GLU  86          1HG       GLU  86   6.731  22.476   1.091
  710    H    THR  87           H        THR  87   6.087  18.848   4.092
  711    HA   THR  87           HA       THR  87   7.189  19.854   6.619
  712    HB   THR  87           HB       THR  87   4.887  19.812   7.603
  713    HG1  THR  87           1HG      THR  87   4.091  19.576   4.887
  714   1HG2  THR  87          1HG2      THR  87   5.140  21.994   7.287
  715   2HG2  THR  87          2HG2      THR  87   4.097  21.782   5.882
  716   3HG2  THR  87          3HG2      THR  87   5.850  21.776   5.689
  717    H    ILE  88           H        ILE  88   4.412  17.735   6.533
  718    HA   ILE  88           HA       ILE  88   6.135  15.543   7.418
  719    HB   ILE  88           HB       ILE  88   4.414  16.596   9.007
  720   1HG1  ILE  88          2HG1      ILE  88   3.847  14.342   9.927
  721   2HG1  ILE  88          1HG1      ILE  88   4.518  13.638   8.461
  722   1HG2  ILE  88          1HG2      ILE  88   2.381  14.753   7.929
  723   2HG2  ILE  88          2HG2      ILE  88   2.647  16.236   7.009
  724   3HG2  ILE  88          3HG2      ILE  88   2.196  16.324   8.711
  725   1HD1  ILE  88          1HD1      ILE  88   5.859  14.556  10.831
  726   2HD1  ILE  88          2HD1      ILE  88   6.491  15.359   9.393
  727   3HD1  ILE  88          3HD1      ILE  88   6.478  13.596   9.488
  728    H    TYR  89           H        TYR  89   4.146  16.509   4.849
  729    HA   TYR  89           HA       TYR  89   2.809  14.151   4.159
  730   1HB   TYR  89          2HB       TYR  89   3.714  16.569   2.671
  731   2HB   TYR  89          1HB       TYR  89   3.236  15.163   1.727
  732    HD1  TYR  89           1HD      TYR  89   1.954  17.085   4.680
  733    HD2  TYR  89           2HD      TYR  89   1.053  15.125   1.011
  734    HE1  TYR  89           1HE      TYR  89  -0.404  17.731   4.921
  735    HE2  TYR  89           2HE      TYR  89  -1.308  15.765   1.243
  736    HH   TYR  89           HH       TYR  89  -2.654  16.851   4.078
  737    H    TYR  90           H        TYR  90   6.055  15.277   3.213
  738    HA   TYR  90           HA       TYR  90   6.672  13.055   1.577
  739   1HB   TYR  90          2HB       TYR  90   7.863  15.287   1.605
  740   2HB   TYR  90          1HB       TYR  90   8.665  14.758   3.081
  741    HD1  TYR  90           1HD      TYR  90   8.116  13.717  -0.461
  742    HD2  TYR  90           2HD      TYR  90  10.687  13.617   2.927
  743    HE1  TYR  90           1HE      TYR  90   9.848  12.614  -1.814
  744    HE2  TYR  90           2HE      TYR  90  12.425  12.514   1.582
  745    HH   TYR  90           HH       TYR  90  12.071  10.930  -0.945
  746    H    LYS  91           H        LYS  91   7.481  13.767   4.972
  747    HA   LYS  91           HA       LYS  91   8.911  11.376   5.443
  748   1HB   LYS  91          2HB       LYS  91   7.435  13.091   7.449
  749   2HB   LYS  91          1HB       LYS  91   8.687  11.913   7.813
  750   1HG   LYS  91          2HG       LYS  91  10.157  13.352   6.239
  751   2HG   LYS  91          1HG       LYS  91   8.936  14.594   6.518
  752   1HD   LYS  91          2HD       LYS  91  10.218  15.114   8.295
  753   2HD   LYS  91          1HD       LYS  91   9.396  13.749   9.054
  754   1HE   LYS  91          2HE       LYS  91  11.811  13.165   7.431
  755   2HE   LYS  91          1HE       LYS  91  12.053  13.969   8.983
  756   1HZ   LYS  91          1HZ       LYS  91  10.769  11.341   8.492
  757   2HZ   LYS  91          2HZ       LYS  91  10.686  12.144   9.978
  758   3HZ   LYS  91          3HZ       LYS  91  12.183  11.655   9.366
  759    H    ALA  92           H        ALA  92   5.491  12.195   5.717
  760    HA   ALA  92           HA       ALA  92   4.616   9.939   7.138
  761   1HB   ALA  92          1HB       ALA  92   2.411  10.422   5.874
  762   2HB   ALA  92          2HB       ALA  92   3.270  11.827   5.240
  763   3HB   ALA  92          3HB       ALA  92   3.043  11.643   6.978
  764    H    ALA  93           H        ALA  93   4.917  10.500   3.635
  765    HA   ALA  93           HA       ALA  93   3.895   8.009   2.804
  766   1HB   ALA  93          1HB       ALA  93   4.563   8.580   0.664
  767   2HB   ALA  93          2HB       ALA  93   5.995   9.443   1.227
  768   3HB   ALA  93          3HB       ALA  93   4.397  10.158   1.432
  769    H    LYS  94           H        LYS  94   7.206   9.078   3.513
  770    HA   LYS  94           HA       LYS  94   8.509   6.700   2.751
  771   1HB   LYS  94          2HB       LYS  94   9.206   9.066   4.417
  772   2HB   LYS  94          1HB       LYS  94  10.202   7.627   4.597
  773   1HG   LYS  94          2HG       LYS  94  10.837   7.669   2.314
  774   2HG   LYS  94          1HG       LYS  94   9.626   8.895   1.933
  775   1HD   LYS  94          2HD       LYS  94  11.838   9.893   2.045
  776   2HD   LYS  94          1HD       LYS  94  10.824  10.502   3.355
  777   1HE   LYS  94          2HE       LYS  94  11.971   9.300   4.972
  778   2HE   LYS  94          1HE       LYS  94  12.603   8.140   3.805
  779   1HZ   LYS  94          1HZ       LYS  94  14.245   9.584   3.126
  780   2HZ   LYS  94          2HZ       LYS  94  14.158   9.934   4.778
  781   3HZ   LYS  94          3HZ       LYS  94  13.424  10.966   3.656
  782    H    LYS  95           H        LYS  95   7.193   7.772   5.872
  783    HA   LYS  95           HA       LYS  95   8.104   5.616   7.420
  784   1HB   LYS  95          2HB       LYS  95   6.459   7.886   7.810
  785   2HB   LYS  95          1HB       LYS  95   5.537   6.494   8.355
  786   1HG   LYS  95          2HG       LYS  95   6.668   7.223  10.253
  787   2HG   LYS  95          1HG       LYS  95   7.617   5.848   9.683
  788   1HD   LYS  95          2HD       LYS  95   8.426   8.435   8.558
  789   2HD   LYS  95          1HD       LYS  95   8.634   8.303  10.306
  790   1HE   LYS  95          2HE       LYS  95   9.537   5.969   8.757
  791   2HE   LYS  95          1HE       LYS  95  10.443   7.453   8.466
  792   1HZ   LYS  95          1HZ       LYS  95   9.908   6.493  11.210
  793   2HZ   LYS  95          2HZ       LYS  95  11.096   7.575  10.685
  794   3HZ   LYS  95          3HZ       LYS  95  11.234   5.929  10.325
  795    H    LEU  96           H        LEU  96   5.057   6.047   5.631
  796    HA   LEU  96           HA       LEU  96   3.890   3.601   6.417
  797   1HB   LEU  96          2HB       LEU  96   3.167   5.794   4.810
  798   2HB   LEU  96          1HB       LEU  96   3.063   4.389   3.767
  799    HG   LEU  96           HG       LEU  96   0.906   4.804   4.748
  800   1HD1  LEU  96          1HD1      LEU  96   1.355   2.496   4.425
  801   2HD1  LEU  96          2HD1      LEU  96   0.560   2.659   5.990
  802   3HD1  LEU  96          3HD1      LEU  96   2.302   2.408   5.909
  803   1HD2  LEU  96          1HD2      LEU  96   1.063   5.964   6.687
  804   2HD2  LEU  96          2HD2      LEU  96   2.485   5.079   7.236
  805   3HD2  LEU  96          3HD2      LEU  96   0.886   4.352   7.373
  806    H    LEU  97           H        LEU  97   5.926   4.471   3.638
  807    HA   LEU  97           HA       LEU  97   5.739   2.062   2.225
  808   1HB   LEU  97          2HB       LEU  97   7.052   4.427   1.847
  809   2HB   LEU  97          1HB       LEU  97   8.388   3.348   2.197
  810    HG   LEU  97           HG       LEU  97   6.338   2.791   0.054
  811   1HD1  LEU  97          1HD1      LEU  97   9.104   3.832  -0.449
  812   2HD1  LEU  97          2HD1      LEU  97   7.734   4.921  -0.235
  813   3HD1  LEU  97          3HD1      LEU  97   7.729   3.748  -1.552
  814   1HD2  LEU  97          1HD2      LEU  97   9.090   1.698   0.006
  815   2HD2  LEU  97          2HD2      LEU  97   7.570   0.973  -0.512
  816   3HD2  LEU  97          3HD2      LEU  97   7.982   1.027   1.200
  817    H    HIS  98           H        HIS  98   8.019   3.049   4.767
  818    HA   HIS  98           HA       HIS  98   9.548   0.673   4.736
  819   1HB   HIS  98          2HB       HIS  98   9.521   3.123   6.209
  820   2HB   HIS  98          1HB       HIS  98   9.597   1.789   7.355
  821    HD1  HIS  98           1HD      HIS  98  12.051   2.694   7.871
  822    HD2  HIS  98           2HD      HIS  98  11.484   1.095   4.076
  823    HE1  HIS  98           1HE      HIS  98  14.359   2.274   6.965
  824    HE2  HIS  98           2HE      HIS  98  13.992   1.345   4.652
  825    H    SER  99           H        SER  99   6.760   1.673   6.715
  826    HA   SER  99           HA       SER  99   6.741  -0.623   8.365
  827   1HB   SER  99          2HB       SER  99   4.336   0.046   8.818
  828   2HB   SER  99          1HB       SER  99   5.542   1.289   9.140
  829    HG   SER  99           HG       SER  99   3.522   1.797   7.840
  830    H    GLY 100           H        GLY 100   4.940   0.176   5.397
  831   1HA   GLY 100          2HA       GLY 100   3.390  -2.151   5.250
  832   2HA   GLY 100          1HA       GLY 100   3.872  -1.171   3.873
  833    H    MET 101           H        MET 101   6.594  -1.483   3.843
  834    HA   MET 101           HA       MET 101   6.940  -3.928   2.531
  835   1HB   MET 101          2HB       MET 101   8.759  -1.790   3.529
  836   2HB   MET 101          1HB       MET 101   9.482  -3.337   3.110
  837   1HG   MET 101          2HG       MET 101   8.019  -2.971   0.916
  838   2HG   MET 101          1HG       MET 101   8.241  -1.285   1.380
  839   1HE   MET 101          1HE       MET 101   9.253  -3.203  -1.191
  840   2HE   MET 101          2HE       MET 101  10.817  -2.481  -1.568
  841   3HE   MET 101          3HE       MET 101   9.414  -1.450  -1.290
  842    H    LYS 102           H        LYS 102   7.531  -2.996   5.886
  843    HA   LYS 102           HA       LYS 102   8.970  -5.245   6.716
  844   1HB   LYS 102          2HB       LYS 102   8.068  -2.925   7.880
  845   2HB   LYS 102          1HB       LYS 102   7.097  -4.146   8.689
  846   1HG   LYS 102          2HG       LYS 102   9.881  -4.909   8.526
  847   2HG   LYS 102          1HG       LYS 102   9.651  -3.363   9.342
  848   1HD   LYS 102          2HD       LYS 102   8.600  -4.304  11.108
  849   2HD   LYS 102          1HD       LYS 102   7.760  -5.487  10.104
  850   1HE   LYS 102          2HE       LYS 102   9.605  -6.937  10.075
  851   2HE   LYS 102          1HE       LYS 102  10.707  -5.683  10.642
  852   1HZ   LYS 102          1HZ       LYS 102  10.397  -6.760  12.586
  853   2HZ   LYS 102          2HZ       LYS 102   8.884  -7.376  12.156
  854   3HZ   LYS 102          3HZ       LYS 102   9.025  -5.776  12.685
  855    H    ILE 103           H        ILE 103   5.472  -4.595   6.739
  856    HA   ILE 103           HA       ILE 103   4.682  -7.042   7.903
  857    HB   ILE 103           HB       ILE 103   2.957  -5.603   5.912
  858   1HG1  ILE 103          2HG1      ILE 103   3.711  -3.772   7.205
  859   2HG1  ILE 103          1HG1      ILE 103   2.164  -4.223   7.908
  860   1HG2  ILE 103          1HG2      ILE 103   2.584  -7.494   8.147
  861   2HG2  ILE 103          2HG2      ILE 103   1.698  -7.333   6.632
  862   3HG2  ILE 103          3HG2      ILE 103   1.361  -6.235   7.970
  863   1HD1  ILE 103          1HD1      ILE 103   3.286  -4.077   9.837
  864   2HD1  ILE 103          2HD1      ILE 103   4.856  -4.281   9.062
  865   3HD1  ILE 103          3HD1      ILE 103   3.860  -5.691   9.421
  866    H    LEU 104           H        LEU 104   5.231  -6.083   4.546
  867    HA   LEU 104           HA       LEU 104   4.206  -8.390   3.306
  868   1HB   LEU 104          2HB       LEU 104   5.717  -6.061   2.538
  869   2HB   LEU 104          1HB       LEU 104   6.378  -7.486   1.760
  870    HG   LEU 104           HG       LEU 104   3.437  -7.197   1.626
  871   1HD1  LEU 104          1HD1      LEU 104   3.571  -5.033   1.028
  872   2HD1  LEU 104          2HD1      LEU 104   4.100  -5.701  -0.516
  873   3HD1  LEU 104          3HD1      LEU 104   5.292  -5.129   0.652
  874   1HD2  LEU 104          1HD2      LEU 104   5.671  -8.289   0.014
  875   2HD2  LEU 104          2HD2      LEU 104   4.259  -7.703  -0.865
  876   3HD2  LEU 104          3HD2      LEU 104   4.077  -8.964   0.353
  877    H    SER 105           H        SER 105   7.194  -7.832   5.005
  878    HA   SER 105           HA       SER 105   8.426 -10.245   3.938
  879   1HB   SER 105          2HB       SER 105   9.360  -8.027   5.736
  880   2HB   SER 105          1HB       SER 105  10.260  -9.542   5.650
  881    HG   SER 105           HG       SER 105   9.711  -7.709   3.564
  882    H    GLN 106           H        GLN 106   5.970 -10.247   5.747
  883    HA   GLN 106           HA       GLN 106   7.059 -11.873   7.942
  884   1HB   GLN 106          2HB       GLN 106   4.866  -9.961   7.768
  885   2HB   GLN 106          1HB       GLN 106   4.362 -11.493   8.470
  886   1HG   GLN 106          2HG       GLN 106   6.004 -11.325  10.193
  887   2HG   GLN 106          1HG       GLN 106   6.742  -9.921   9.421
  888   1HE2  GLN 106          1HE2      GLN 106   5.753  -7.923   9.583
  889   2HE2  GLN 106          2HE2      GLN 106   4.487  -7.603  10.715
  890    H    GLU 107           H        GLU 107   4.693 -11.822   5.321
  891    HA   GLU 107           HA       GLU 107   3.698 -14.459   5.870
  892   1HB   GLU 107          2HB       GLU 107   3.362 -12.565   3.548
  893   2HB   GLU 107          1HB       GLU 107   2.669 -14.181   3.548
  894   1HG   GLU 107          2HG       GLU 107   1.016 -12.553   4.209
  895   2HG   GLU 107          1HG       GLU 107   1.385 -13.626   5.557
  896    H    ARG 108           H        ARG 108   6.156 -13.072   3.757
  897    HA   ARG 108           HA       ARG 108   6.685 -15.698   2.573
  898   1HB   ARG 108          2HB       ARG 108   7.341 -12.886   1.833
  899   2HB   ARG 108          1HB       ARG 108   8.450 -14.146   1.311
  900   1HG   ARG 108          2HG       ARG 108   6.814 -15.196  -0.003
  901   2HG   ARG 108          1HG       ARG 108   5.503 -14.306   0.772
  902   1HD   ARG 108          2HD       ARG 108   5.646 -13.046  -1.101
  903   2HD   ARG 108          1HD       ARG 108   6.921 -12.244  -0.186
  904    HE   ARG 108           HE       ARG 108   8.465 -13.088  -1.653
  905   1HH1  ARG 108          1HH1      ARG 108   5.441 -14.797  -2.113
  906   2HH1  ARG 108          2HH1      ARG 108   5.973 -15.602  -3.550
  907   1HH2  ARG 108          1HH2      ARG 108   9.159 -14.153  -3.549
  908   2HH2  ARG 108          2HH2      ARG 108   8.083 -15.238  -4.365
  909    H    LEU 109           H        LEU 109   7.330 -15.191   5.375
  910    HA   LEU 109           HA       LEU 109  10.254 -15.078   5.385
  911   1HB   LEU 109          2HB       LEU 109   8.663 -13.830   7.031
  912   2HB   LEU 109          1HB       LEU 109   8.551 -15.380   7.836
  913    HG   LEU 109           HG       LEU 109  10.212 -13.862   8.865
  914   1HD1  LEU 109          1HD1      LEU 109  11.521 -16.277   7.632
  915   2HD1  LEU 109          2HD1      LEU 109  10.406 -16.340   8.995
  916   3HD1  LEU 109          3HD1      LEU 109  11.939 -15.483   9.150
  917   1HD2  LEU 109          1HD2      LEU 109  10.871 -12.959   6.509
  918   2HD2  LEU 109          2HD2      LEU 109  12.022 -14.294   6.531
  919   3HD2  LEU 109          3HD2      LEU 109  12.080 -13.059   7.789
  920    H    GLU 110           H        GLU 110   7.770 -17.112   6.978
  921    HA   GLU 110           HA       GLU 110   8.831 -19.551   6.023
  922   1HB   GLU 110          2HB       GLU 110  10.301 -18.482   8.147
  923   2HB   GLU 110          1HB       GLU 110   9.285 -19.711   8.886
  924   1HG   GLU 110          2HG       GLU 110  10.203 -21.421   7.577
  925   2HG   GLU 110          1HG       GLU 110  10.919 -20.283   6.438
  926    H    HIS 111           H        HIS 111   7.523 -18.569   9.202
  927    HA   HIS 111           HA       HIS 111   5.068 -20.064   8.575
  928   1HB   HIS 111          2HB       HIS 111   6.768 -21.236  10.142
  929   2HB   HIS 111          1HB       HIS 111   6.256 -20.055  11.342
  930    HD1  HIS 111           1HD      HIS 111   3.885 -21.724   8.923
  931    HD2  HIS 111           2HD      HIS 111   4.888 -21.826  12.954
  932    HE1  HIS 111           1HE      HIS 111   2.129 -23.152  10.017
  933    HE2  HIS 111           2HE      HIS 111   2.801 -23.263  12.441
  934    H    HIS 112           H        HIS 112   3.260 -19.504  10.142
  935    HA   HIS 112           HA       HIS 112   2.758 -16.743  10.056
  936   1HB   HIS 112          2HB       HIS 112   1.047 -18.606  10.101
  937   2HB   HIS 112          1HB       HIS 112   1.339 -18.733  11.833
  938    HD1  HIS 112           1HD      HIS 112   0.209 -17.038  13.333
  939    HD2  HIS 112           2HD      HIS 112  -0.214 -16.163   9.291
  940    HE1  HIS 112           1HE      HIS 112  -1.475 -15.174  13.220
  941    HE2  HIS 112           2HE      HIS 112  -1.696 -14.641  10.767
  942    H    HIS 113           H        HIS 113   2.321 -15.287  11.839
  943    HA   HIS 113           HA       HIS 113   4.323 -15.560  13.945
  944   1HB   HIS 113          2HB       HIS 113   3.207 -13.365  12.447
  945   2HB   HIS 113          1HB       HIS 113   3.009 -13.067  14.170
  946    HD1  HIS 113           1HD      HIS 113   5.893 -14.455  12.089
  947    HD2  HIS 113           2HD      HIS 113   5.109 -11.602  15.008
  948    HE1  HIS 113           1HE      HIS 113   8.112 -13.390  12.602
  949    HE2  HIS 113           2HE      HIS 113   7.632 -11.750  14.453
  950    H    HIS 114           H        HIS 114   3.278 -13.978  15.944
  951    HA   HIS 114           HA       HIS 114   1.905 -13.940  17.755
  952   1HB   HIS 114          2HB       HIS 114   0.122 -14.593  15.596
  953   2HB   HIS 114          1HB       HIS 114  -0.344 -15.504  17.027
  954    HD1  HIS 114           1HD      HIS 114  -2.046 -13.162  15.807
  955    HD2  HIS 114           2HD      HIS 114   0.566 -12.825  19.023
  956    HE1  HIS 114           1HE      HIS 114  -2.828 -11.152  17.102
  957    HE2  HIS 114           2HE      HIS 114  -1.184 -10.922  18.998
  958    H    HIS 115           H        HIS 115   0.990 -15.369  19.448
  959    HA   HIS 115           HA       HIS 115   1.961 -18.140  19.233
  960   1HB   HIS 115          2HB       HIS 115   2.656 -17.962  21.647
  961   2HB   HIS 115          1HB       HIS 115   3.619 -16.999  20.536
  962    HD1  HIS 115           1HD      HIS 115   4.143 -14.790  21.496
  963    HD2  HIS 115           2HD      HIS 115   0.412 -16.144  22.725
  964    HE1  HIS 115           1HE      HIS 115   3.236 -12.990  22.998
  965    HE2  HIS 115           2HE      HIS 115   0.936 -13.787  23.648
  966    H    HIS 116           H        HIS 116   1.158 -19.272  21.490
  967    HA   HIS 116           HA       HIS 116  -1.638 -19.532  21.188
  968   1HB   HIS 116          2HB       HIS 116   0.163 -20.459  23.440
  969   2HB   HIS 116          1HB       HIS 116  -1.514 -20.950  23.236
  970    HD1  HIS 116           1HD      HIS 116   0.753 -23.032  23.247
  971    HD2  HIS 116           2HD      HIS 116  -0.806 -21.300  19.806
  972    HE1  HIS 116           1HE      HIS 116   1.268 -24.647  21.389
  973    HE2  HIS 116           2HE      HIS 116   0.240 -23.618  19.332
  Start of MODEL    4
    1   1H    MET   0          1HT       MET   0  -5.023 -30.920  -5.939
    2   2H    MET   0          2HT       MET   0  -4.242 -29.940  -4.766
    3   3H    MET   0          3HT       MET   0  -3.723 -29.903  -6.402
    4    HA   MET   0           HA       MET   0  -5.667 -28.873  -7.105
    5   1HB   MET   0          2HB       MET   0  -6.605 -29.747  -4.409
    6   2HB   MET   0          1HB       MET   0  -7.304 -28.282  -5.086
    7   1HG   MET   0          2HG       MET   0  -8.485 -29.400  -6.636
    8   2HG   MET   0          1HG       MET   0  -7.216 -30.592  -6.902
    9   1HE   MET   0          1HE       MET   0 -10.376 -32.119  -6.597
   10   2HE   MET   0          2HE       MET   0  -9.228 -33.365  -6.105
   11   3HE   MET   0          3HE       MET   0  -8.777 -32.190  -7.340
   12    H    GLU   1           H        GLU   1  -5.203 -26.791  -7.400
   13    HA   GLU   1           HA       GLU   1  -4.071 -25.267  -5.144
   14   1HB   GLU   1          2HB       GLU   1  -2.741 -25.866  -7.419
   15   2HB   GLU   1          1HB       GLU   1  -3.502 -24.359  -7.908
   16   1HG   GLU   1          2HG       GLU   1  -2.358 -24.062  -5.299
   17   2HG   GLU   1          1HG       GLU   1  -1.154 -24.705  -6.414
   18    H    GLU   2           H        GLU   2  -4.212 -22.763  -5.801
   19    HA   GLU   2           HA       GLU   2  -5.549 -20.940  -5.927
   20   1HB   GLU   2          2HB       GLU   2  -6.503 -22.656  -8.146
   21   2HB   GLU   2          1HB       GLU   2  -7.574 -21.351  -7.658
   22   1HG   GLU   2          2HG       GLU   2  -5.912 -19.711  -8.106
   23   2HG   GLU   2          1HG       GLU   2  -4.678 -20.947  -8.346
   24    H    VAL   3           H        VAL   3  -6.176 -23.175  -4.053
   25    HA   VAL   3           HA       VAL   3  -9.040 -22.643  -3.625
   26    HB   VAL   3           HB       VAL   3  -8.987 -24.663  -2.130
   27   1HG1  VAL   3          1HG1      VAL   3  -8.597 -26.229  -4.259
   28   2HG1  VAL   3          2HG1      VAL   3  -8.684 -24.664  -5.070
   29   3HG1  VAL   3          3HG1      VAL   3 -10.024 -25.210  -4.064
   30   1HG2  VAL   3          1HG2      VAL   3  -6.313 -24.487  -2.200
   31   2HG2  VAL   3          2HG2      VAL   3  -6.559 -25.660  -3.493
   32   3HG2  VAL   3          3HG2      VAL   3  -7.171 -25.992  -1.874
   33    H    GLU   4           H        GLU   4  -5.854 -22.380  -2.227
   34    HA   GLU   4           HA       GLU   4  -6.959 -21.585   0.358
   35   1HB   GLU   4          2HB       GLU   4  -4.125 -22.081  -0.561
   36   2HB   GLU   4          1HB       GLU   4  -4.537 -21.489   1.041
   37   1HG   GLU   4          2HG       GLU   4  -5.863 -23.531   1.423
   38   2HG   GLU   4          1HG       GLU   4  -5.352 -24.127  -0.155
   39    H    GLN   5           H        GLN   5  -7.384 -19.892  -1.964
   40    HA   GLN   5           HA       GLN   5  -5.593 -17.651  -1.712
   41   1HB   GLN   5          2HB       GLN   5  -8.018 -18.266  -3.347
   42   2HB   GLN   5          1HB       GLN   5  -7.533 -16.586  -3.156
   43   1HG   GLN   5          2HG       GLN   5  -5.307 -17.151  -4.030
   44   2HG   GLN   5          1HG       GLN   5  -5.842 -18.810  -4.275
   45   1HE2  GLN   5          1HE2      GLN   5  -7.229 -19.286  -5.953
   46   2HE2  GLN   5          2HE2      GLN   5  -7.570 -18.168  -7.225
   47    H    THR   6           H        THR   6  -8.600 -18.667  -0.305
   48    HA   THR   6           HA       THR   6  -9.665 -16.225   0.511
   49    HB   THR   6           HB       THR   6 -10.201 -18.072   2.577
   50    HG1  THR   6           1HG      THR   6 -10.581 -19.419   0.143
   51   1HG2  THR   6          1HG2      THR   6 -11.664 -16.950   0.274
   52   2HG2  THR   6          2HG2      THR   6 -12.070 -16.963   1.990
   53   3HG2  THR   6          3HG2      THR   6 -12.327 -18.409   1.012
   54    HA   PRO   7           HA       PRO   7  -7.275 -16.817   4.779
   55   1HB   PRO   7          2HB       PRO   7  -4.912 -18.244   4.373
   56   2HB   PRO   7          1HB       PRO   7  -6.359 -18.848   5.178
   57   1HG   PRO   7          2HG       PRO   7  -5.438 -19.259   2.376
   58   2HG   PRO   7          1HG       PRO   7  -6.271 -20.384   3.464
   59   1HD   PRO   7          2HD       PRO   7  -7.565 -19.150   1.469
   60   2HD   PRO   7          1HD       PRO   7  -8.354 -19.455   3.031
   61    H    LEU   8           H        LEU   8  -5.395 -16.911   1.765
   62    HA   LEU   8           HA       LEU   8  -3.331 -15.184   2.514
   63   1HB   LEU   8          2HB       LEU   8  -4.319 -16.357   0.073
   64   2HB   LEU   8          1HB       LEU   8  -3.854 -14.691  -0.207
   65    HG   LEU   8           HG       LEU   8  -1.820 -16.038   1.332
   66   1HD1  LEU   8          1HD1      LEU   8  -3.034 -17.879  -0.208
   67   2HD1  LEU   8          2HD1      LEU   8  -1.308 -17.889   0.156
   68   3HD1  LEU   8          3HD1      LEU   8  -1.884 -17.217  -1.369
   69   1HD2  LEU   8          1HD2      LEU   8  -1.296 -14.047   0.182
   70   2HD2  LEU   8          2HD2      LEU   8  -1.956 -14.654  -1.335
   71   3HD2  LEU   8          3HD2      LEU   8  -0.463 -15.333  -0.689
   72    H    GLN   9           H        GLN   9  -6.566 -14.486   1.274
   73    HA   GLN   9           HA       GLN   9  -6.222 -11.729   0.813
   74   1HB   GLN   9          2HB       GLN   9  -8.171 -13.269   0.123
   75   2HB   GLN   9          1HB       GLN   9  -8.816 -12.954   1.729
   76   1HG   GLN   9          2HG       GLN   9  -8.560 -10.470   1.113
   77   2HG   GLN   9          1HG       GLN   9  -8.417 -11.051  -0.545
   78   1HE2  GLN   9          1HE2      GLN   9 -10.246 -11.030  -1.629
   79   2HE2  GLN   9          2HE2      GLN   9 -11.829 -11.238  -0.967
   80    H    GLU  10           H        GLU  10  -7.165 -13.542   3.707
   81    HA   GLU  10           HA       GLU  10  -7.875 -11.366   5.329
   82   1HB   GLU  10          2HB       GLU  10  -8.082 -13.957   5.708
   83   2HB   GLU  10          1HB       GLU  10  -6.518 -13.770   6.489
   84   1HG   GLU  10          2HG       GLU  10  -7.406 -12.830   8.304
   85   2HG   GLU  10          1HG       GLU  10  -8.484 -11.804   7.362
   86    H    ALA  11           H        ALA  11  -4.746 -13.011   4.910
   87    HA   ALA  11           HA       ALA  11  -3.272 -11.513   6.768
   88   1HB   ALA  11          1HB       ALA  11  -1.287 -12.271   5.565
   89   2HB   ALA  11          2HB       ALA  11  -2.293 -12.787   4.212
   90   3HB   ALA  11          3HB       ALA  11  -2.438 -13.589   5.776
   91    H    LEU  12           H        LEU  12  -3.885 -10.982   3.312
   92    HA   LEU  12           HA       LEU  12  -2.262  -8.707   3.014
   93   1HB   LEU  12          2HB       LEU  12  -3.665 -10.235   1.304
   94   2HB   LEU  12          1HB       LEU  12  -4.754  -8.866   1.420
   95    HG   LEU  12           HG       LEU  12  -1.896  -8.261   0.912
   96   1HD1  LEU  12          1HD1      LEU  12  -2.710  -8.552  -1.625
   97   2HD1  LEU  12          2HD1      LEU  12  -3.569  -9.901  -0.880
   98   3HD1  LEU  12          3HD1      LEU  12  -1.815  -9.789  -0.742
   99   1HD2  LEU  12          1HD2      LEU  12  -4.539  -7.060   0.499
  100   2HD2  LEU  12          2HD2      LEU  12  -3.408  -6.831  -0.832
  101   3HD2  LEU  12          3HD2      LEU  12  -2.976  -6.300   0.792
  102    H    ASN  13           H        ASN  13  -5.649  -9.074   3.983
  103    HA   ASN  13           HA       ASN  13  -6.240  -6.297   4.050
  104   1HB   ASN  13          2HB       ASN  13  -7.537  -8.600   5.530
  105   2HB   ASN  13          1HB       ASN  13  -8.191  -6.968   5.431
  106   1HD2  ASN  13          1HD2      ASN  13  -9.272  -9.551   4.516
  107   2HD2  ASN  13          2HD2      ASN  13  -9.603  -9.344   2.834
  108    H    GLN  14           H        GLN  14  -4.875  -8.562   6.372
  109    HA   GLN  14           HA       GLN  14  -5.065  -6.896   8.652
  110   1HB   GLN  14          2HB       GLN  14  -3.818  -9.448   7.964
  111   2HB   GLN  14          1HB       GLN  14  -2.869  -8.511   9.110
  112   1HG   GLN  14          2HG       GLN  14  -4.166  -9.341  10.700
  113   2HG   GLN  14          1HG       GLN  14  -5.456  -8.315  10.073
  114   1HE2  GLN  14          1HE2      GLN  14  -3.914 -11.444   9.384
  115   2HE2  GLN  14          2HE2      GLN  14  -5.385 -12.284   9.049
  116    H    LEU  15           H        LEU  15  -2.394  -7.481   6.351
  117    HA   LEU  15           HA       LEU  15  -0.579  -5.734   7.644
  118   1HB   LEU  15          2HB       LEU  15   0.703  -5.796   5.525
  119   2HB   LEU  15          1HB       LEU  15   0.303  -7.376   6.161
  120    HG   LEU  15           HG       LEU  15  -1.708  -7.206   4.464
  121   1HD1  LEU  15          1HD1      LEU  15  -1.679  -5.386   3.187
  122   2HD1  LEU  15          2HD1      LEU  15  -0.217  -6.024   2.437
  123   3HD1  LEU  15          3HD1      LEU  15  -0.095  -4.906   3.794
  124   1HD2  LEU  15          1HD2      LEU  15  -0.187  -8.221   2.732
  125   2HD2  LEU  15          2HD2      LEU  15  -0.116  -8.955   4.334
  126   3HD2  LEU  15          3HD2      LEU  15   1.156  -7.850   3.813
  127    H    MET  16           H        MET  16  -2.907  -5.242   5.025
  128    HA   MET  16           HA       MET  16  -2.122  -2.584   4.429
  129   1HB   MET  16          2HB       MET  16  -4.351  -4.371   3.703
  130   2HB   MET  16          1HB       MET  16  -4.752  -2.659   3.688
  131   1HG   MET  16          2HG       MET  16  -2.501  -3.958   2.171
  132   2HG   MET  16          1HG       MET  16  -4.039  -3.426   1.498
  133   1HE   MET  16          1HE       MET  16  -0.426  -1.098   1.163
  134   2HE   MET  16          2HE       MET  16  -1.076  -2.573   0.449
  135   3HE   MET  16          3HE       MET  16  -0.451  -2.591   2.098
  136    H    ARG  17           H        ARG  17  -4.650  -3.910   6.568
  137    HA   ARG  17           HA       ARG  17  -5.670  -1.373   7.334
  138   1HB   ARG  17          2HB       ARG  17  -6.914  -2.525   9.025
  139   2HB   ARG  17          1HB       ARG  17  -6.913  -3.524   7.582
  140   1HG   ARG  17          2HG       ARG  17  -5.182  -4.942   8.556
  141   2HG   ARG  17          1HG       ARG  17  -5.158  -3.930   9.999
  142   1HD   ARG  17          2HD       ARG  17  -6.488  -5.896  10.421
  143   2HD   ARG  17          1HD       ARG  17  -7.532  -4.476  10.386
  144    HE   ARG  17           HE       ARG  17  -7.687  -5.397   7.852
  145   1HH1  ARG  17          1HH1      ARG  17  -8.094  -6.961  10.960
  146   2HH1  ARG  17          2HH1      ARG  17  -9.257  -8.100  10.375
  147   1HH2  ARG  17          1HH2      ARG  17  -9.240  -6.897   7.091
  148   2HH2  ARG  17          2HH2      ARG  17  -9.906  -8.065   8.181
  149    H    GLN  18           H        GLN  18  -3.165  -3.482   8.653
  150    HA   GLN  18           HA       GLN  18  -2.733  -2.073  11.058
  151   1HB   GLN  18          2HB       GLN  18  -1.913  -4.385  10.524
  152   2HB   GLN  18          1HB       GLN  18  -0.688  -3.655   9.499
  153   1HG   GLN  18          2HG       GLN  18   0.388  -2.642  11.339
  154   2HG   GLN  18          1HG       GLN  18  -0.966  -2.989  12.415
  155   1HE2  GLN  18          1HE2      GLN  18   0.958  -4.911  10.130
  156   2HE2  GLN  18          2HE2      GLN  18   1.359  -6.160  11.254
  157    H    LEU  19           H        LEU  19  -1.103  -1.853   7.883
  158    HA   LEU  19           HA       LEU  19   0.662   0.221   8.681
  159   1HB   LEU  19          2HB       LEU  19   1.128   0.515   6.296
  160   2HB   LEU  19          1HB       LEU  19   1.210  -1.162   6.788
  161    HG   LEU  19           HG       LEU  19  -1.249  -1.255   5.887
  162   1HD1  LEU  19          1HD1      LEU  19  -1.995   0.624   4.971
  163   2HD1  LEU  19          2HD1      LEU  19  -0.778   0.429   3.710
  164   3HD1  LEU  19          3HD1      LEU  19  -0.420   1.396   5.139
  165   1HD2  LEU  19          1HD2      LEU  19   1.369  -1.611   4.695
  166   2HD2  LEU  19          2HD2      LEU  19   0.124  -1.286   3.488
  167   3HD2  LEU  19          3HD2      LEU  19  -0.062  -2.637   4.606
  168    H    GLN  20           H        GLN  20  -2.548   0.203   7.220
  169    HA   GLN  20           HA       GLN  20  -2.649   2.980   6.650
  170   1HB   GLN  20          2HB       GLN  20  -4.142   1.110   5.723
  171   2HB   GLN  20          1HB       GLN  20  -5.061   1.269   7.214
  172   1HG   GLN  20          2HG       GLN  20  -5.673   3.502   6.698
  173   2HG   GLN  20          1HG       GLN  20  -4.532   3.572   5.356
  174   1HE2  GLN  20          1HE2      GLN  20  -7.510   2.092   6.493
  175   2HE2  GLN  20          2HE2      GLN  20  -8.150   1.741   4.929
  176    H    ARG  21           H        ARG  21  -3.750   1.041   9.407
  177    HA   ARG  21           HA       ARG  21  -4.965   3.161  10.828
  178   1HB   ARG  21          2HB       ARG  21  -4.113   0.388  11.453
  179   2HB   ARG  21          1HB       ARG  21  -4.348   1.470  12.817
  180   1HG   ARG  21          2HG       ARG  21  -6.588   1.517  12.571
  181   2HG   ARG  21          1HG       ARG  21  -6.506   1.458  10.811
  182   1HD   ARG  21          2HD       ARG  21  -7.329  -0.624  11.156
  183   2HD   ARG  21          1HD       ARG  21  -5.620  -1.005  11.350
  184    HE   ARG  21           HE       ARG  21  -6.909  -0.261  13.808
  185   1HH1  ARG  21          1HH1      ARG  21  -6.262  -2.914  11.618
  186   2HH1  ARG  21          2HH1      ARG  21  -6.444  -4.129  12.839
  187   1HH2  ARG  21          1HH2      ARG  21  -7.156  -1.872  15.413
  188   2HH2  ARG  21          2HH2      ARG  21  -6.953  -3.538  14.989
  189    H    LYS  22           H        LYS  22  -1.662   2.416  10.317
  190    HA   LYS  22           HA       LYS  22  -0.341   3.091  12.599
  191   1HB   LYS  22          2HB       LYS  22   0.800   2.375  10.576
  192   2HB   LYS  22          1HB       LYS  22   0.365   3.869   9.763
  193   1HG   LYS  22          2HG       LYS  22   2.367   4.613  10.377
  194   2HG   LYS  22          1HG       LYS  22   1.699   4.754  12.004
  195   1HD   LYS  22          2HD       LYS  22   2.873   2.170  11.031
  196   2HD   LYS  22          1HD       LYS  22   3.905   3.453  11.669
  197   1HE   LYS  22          2HE       LYS  22   1.838   3.233  13.515
  198   2HE   LYS  22          1HE       LYS  22   2.214   1.568  13.073
  199   1HZ   LYS  22          1HZ       LYS  22   4.066   3.606  14.177
  200   2HZ   LYS  22          2HZ       LYS  22   4.592   2.133  13.533
  201   3HZ   LYS  22          3HZ       LYS  22   3.589   2.148  14.893
  202    H    ASP  23           H        ASP  23  -0.757   5.560  10.041
  203    HA   ASP  23           HA       ASP  23  -2.076   7.514  11.380
  204   1HB   ASP  23          2HB       ASP  23   0.423   7.154  12.643
  205   2HB   ASP  23          1HB       ASP  23   0.513   8.675  11.767
  206    HA   PRO  24           HA       PRO  24   0.847   9.607   8.026
  207   1HB   PRO  24          2HB       PRO  24   1.964   7.102   6.887
  208   2HB   PRO  24          1HB       PRO  24   2.746   8.662   7.161
  209   1HG   PRO  24          2HG       PRO  24   3.279   6.598   8.749
  210   2HG   PRO  24          1HG       PRO  24   3.107   8.231   9.417
  211   1HD   PRO  24          2HD       PRO  24   1.159   5.964   9.447
  212   2HD   PRO  24          1HD       PRO  24   1.564   7.125  10.726
  213    H    SER  25           H        SER  25  -0.902   6.592   7.711
  214    HA   SER  25           HA       SER  25  -1.634   7.073   4.951
  215   1HB   SER  25          2HB       SER  25  -2.627   4.955   6.872
  216   2HB   SER  25          1HB       SER  25  -2.913   4.996   5.133
  217    HG   SER  25           HG       SER  25  -1.175   3.636   5.605
  218    H    ALA  26           H        ALA  26  -2.612   8.628   7.614
  219    HA   ALA  26           HA       ALA  26  -5.393   8.395   7.711
  220   1HB   ALA  26          1HB       ALA  26  -3.909  10.974   8.148
  221   2HB   ALA  26          2HB       ALA  26  -3.883   9.648   9.310
  222   3HB   ALA  26          3HB       ALA  26  -5.408  10.434   8.905
  223    H    PHE  27           H        PHE  27  -3.336  10.196   5.496
  224    HA   PHE  27           HA       PHE  27  -5.667  11.426   4.228
  225   1HB   PHE  27          2HB       PHE  27  -2.758  11.789   3.502
  226   2HB   PHE  27          1HB       PHE  27  -4.114  12.796   3.009
  227    HD1  PHE  27           1HD      PHE  27  -5.560  13.519   5.267
  228    HD2  PHE  27           2HD      PHE  27  -1.371  12.817   5.002
  229    HE1  PHE  27           1HE      PHE  27  -5.197  14.970   7.222
  230    HE2  PHE  27           2HE      PHE  27  -1.000  14.265   6.956
  231    HZ   PHE  27           HZ       PHE  27  -2.914  15.344   8.068
  232    H    PHE  28           H        PHE  28  -3.235   8.965   3.629
  233    HA   PHE  28           HA       PHE  28  -4.067   8.635   0.864
  234   1HB   PHE  28          2HB       PHE  28  -2.106   6.982   2.463
  235   2HB   PHE  28          1HB       PHE  28  -2.303   6.979   0.714
  236    HD1  PHE  28           1HD      PHE  28  -2.368   9.739  -0.035
  237    HD2  PHE  28           2HD      PHE  28  -0.046   7.846   2.989
  238    HE1  PHE  28           1HE      PHE  28  -0.681  11.520  -0.222
  239    HE2  PHE  28           2HE      PHE  28   1.644   9.624   2.808
  240    HZ   PHE  28           HZ       PHE  28   1.327  11.465   1.202
  241    H    SER  29           H        SER  29  -5.339   7.660   3.759
  242    HA   SER  29           HA       SER  29  -5.916   4.923   3.259
  243   1HB   SER  29          2HB       SER  29  -6.016   5.660   5.521
  244   2HB   SER  29          1HB       SER  29  -7.120   6.973   5.124
  245    HG   SER  29           HG       SER  29  -7.834   4.701   6.032
  246    H    PHE  30           H        PHE  30  -7.139   7.754   1.849
  247    HA   PHE  30           HA       PHE  30  -9.423   6.251   0.776
  248   1HB   PHE  30          2HB       PHE  30  -9.470   8.735   2.302
  249   2HB   PHE  30          1HB       PHE  30 -10.230   8.916   0.725
  250    HD1  PHE  30           1HD      PHE  30 -10.220   6.610   3.662
  251    HD2  PHE  30           2HD      PHE  30 -12.455   8.376   0.497
  252    HE1  PHE  30           1HE      PHE  30 -12.275   5.574   4.535
  253    HE2  PHE  30           2HE      PHE  30 -14.508   7.344   1.367
  254    HZ   PHE  30           HZ       PHE  30 -14.422   5.941   3.389
  255    HA   PRO  31           HA       PRO  31  -8.083   7.389  -3.254
  256   1HB   PRO  31          2HB       PRO  31 -10.802   8.368  -3.905
  257   2HB   PRO  31          1HB       PRO  31  -9.860   7.078  -4.657
  258   1HG   PRO  31          2HG       PRO  31 -11.949   6.523  -3.087
  259   2HG   PRO  31          1HG       PRO  31 -10.493   5.511  -3.076
  260   1HD   PRO  31          2HD       PRO  31 -11.367   7.595  -1.113
  261   2HD   PRO  31          1HD       PRO  31 -10.613   6.015  -0.819
  262    H    VAL  32           H        VAL  32  -6.944   9.113  -3.902
  263    HA   VAL  32           HA       VAL  32  -7.222  11.651  -2.759
  264    HB   VAL  32           HB       VAL  32  -5.711  12.461  -4.590
  265   1HG1  VAL  32          1HG1      VAL  32  -4.486  11.915  -2.761
  266   2HG1  VAL  32          2HG1      VAL  32  -3.862  10.704  -3.880
  267   3HG1  VAL  32          3HG1      VAL  32  -5.097  10.262  -2.701
  268   1HG2  VAL  32          1HG2      VAL  32  -5.278  11.251  -6.402
  269   2HG2  VAL  32          2HG2      VAL  32  -6.666  10.274  -5.931
  270   3HG2  VAL  32          3HG2      VAL  32  -5.042   9.775  -5.466
  271    H    THR  33           H        THR  33  -7.841  13.655  -3.667
  272    HA   THR  33           HA       THR  33  -9.436  13.636  -6.093
  273    HB   THR  33           HB       THR  33 -10.817  14.966  -3.847
  274    HG1  THR  33           1HG      THR  33 -10.278  13.119  -2.738
  275   1HG2  THR  33          1HG2      THR  33 -12.524  13.162  -5.096
  276   2HG2  THR  33          2HG2      THR  33 -11.492  13.792  -6.379
  277   3HG2  THR  33          3HG2      THR  33 -12.417  14.900  -5.368
  278    H    ASP  34           H        ASP  34 -10.637  16.184  -5.668
  279    HA   ASP  34           HA       ASP  34  -8.418  17.861  -6.282
  280   1HB   ASP  34          2HB       ASP  34 -11.107  17.898  -6.848
  281   2HB   ASP  34          1HB       ASP  34 -10.950  19.208  -5.685
  282    H    PHE  35           H        PHE  35  -9.545  16.832  -3.323
  283    HA   PHE  35           HA       PHE  35  -8.649  19.302  -1.989
  284   1HB   PHE  35          2HB       PHE  35 -10.952  18.971  -1.453
  285   2HB   PHE  35          1HB       PHE  35 -10.710  17.251  -1.173
  286    HD1  PHE  35           1HD      PHE  35  -9.469  16.504   0.854
  287    HD2  PHE  35           2HD      PHE  35 -10.632  20.554   0.260
  288    HE1  PHE  35           1HE      PHE  35  -9.167  16.940   3.258
  289    HE2  PHE  35           2HE      PHE  35 -10.329  20.998   2.661
  290    HZ   PHE  35           HZ       PHE  35  -9.597  19.190   4.164
  291    H    ILE  36           H        ILE  36  -8.752  15.765  -1.797
  292    HA   ILE  36           HA       ILE  36  -6.883  15.515   0.311
  293    HB   ILE  36           HB       ILE  36  -8.002  13.629  -1.737
  294   1HG1  ILE  36          2HG1      ILE  36  -8.358  12.565   0.771
  295   2HG1  ILE  36          1HG1      ILE  36  -8.429  14.295   1.088
  296   1HG2  ILE  36          1HG2      ILE  36  -5.743  13.063   0.159
  297   2HG2  ILE  36          2HG2      ILE  36  -5.784  12.839  -1.590
  298   3HG2  ILE  36          3HG2      ILE  36  -6.754  11.800  -0.545
  299   1HD1  ILE  36          1HD1      ILE  36 -10.625  13.841   0.677
  300   2HD1  ILE  36          2HD1      ILE  36 -10.260  12.580  -0.502
  301   3HD1  ILE  36          3HD1      ILE  36 -10.083  14.279  -0.944
  302    H    ALA  37           H        ALA  37  -6.593  15.651  -3.198
  303    HA   ALA  37           HA       ALA  37  -3.659  15.599  -2.912
  304   1HB   ALA  37          1HB       ALA  37  -4.083  13.704  -4.166
  305   2HB   ALA  37          2HB       ALA  37  -3.804  14.914  -5.417
  306   3HB   ALA  37          3HB       ALA  37  -5.450  14.437  -5.005
  307    HA   PRO  38           HA       PRO  38  -3.838  19.688  -4.615
  308   1HB   PRO  38          2HB       PRO  38  -1.235  20.082  -5.133
  309   2HB   PRO  38          1HB       PRO  38  -1.869  20.055  -3.485
  310   1HG   PRO  38          2HG       PRO  38  -0.415  17.935  -5.002
  311   2HG   PRO  38          1HG       PRO  38  -0.288  18.375  -3.291
  312   1HD   PRO  38          2HD       PRO  38  -1.728  16.231  -4.250
  313   2HD   PRO  38          1HD       PRO  38  -2.038  17.036  -2.701
  314    H    GLY  39           H        GLY  39  -3.278  17.042  -6.380
  315   1HA   GLY  39          2HA       GLY  39  -4.183  17.650  -8.781
  316   2HA   GLY  39          1HA       GLY  39  -2.584  18.375  -8.877
  317    H    TYR  40           H        TYR  40  -3.463  15.368  -7.236
  318    HA   TYR  40           HA       TYR  40  -1.314  13.890  -8.221
  319   1HB   TYR  40          2HB       TYR  40  -3.897  13.208  -6.899
  320   2HB   TYR  40          1HB       TYR  40  -3.012  11.904  -7.682
  321    HD1  TYR  40           2HD      TYR  40  -1.797  14.858  -5.750
  322    HD2  TYR  40           1HD      TYR  40  -2.060  10.614  -5.981
  323    HE1  TYR  40           2HE      TYR  40  -0.373  14.665  -3.758
  324    HE2  TYR  40           1HE      TYR  40  -0.641  10.416  -3.990
  325    HH   TYR  40           HH       TYR  40   1.245  12.792  -2.824
  326    H    SER  41           H        SER  41  -4.638  14.137  -9.442
  327    HA   SER  41           HA       SER  41  -4.359  12.208 -11.492
  328   1HB   SER  41          2HB       SER  41  -6.500  13.357 -10.484
  329   2HB   SER  41          1HB       SER  41  -6.245  14.516 -11.787
  330    HG   SER  41           HG       SER  41  -6.624  11.713 -12.026
  331    H    MET  42           H        MET  42  -3.381  15.546 -11.305
  332    HA   MET  42           HA       MET  42  -3.204  15.953 -14.137
  333   1HB   MET  42          2HB       MET  42  -3.110  17.578 -11.856
  334   2HB   MET  42          1HB       MET  42  -1.525  17.736 -12.599
  335   1HG   MET  42          2HG       MET  42  -2.990  18.050 -14.781
  336   2HG   MET  42          1HG       MET  42  -4.187  18.571 -13.598
  337   1HE   MET  42          1HE       MET  42  -4.110  20.572 -15.219
  338   2HE   MET  42          2HE       MET  42  -2.537  20.608 -16.015
  339   3HE   MET  42          3HE       MET  42  -3.036  21.952 -14.989
  340    H    ILE  43           H        ILE  43  -0.860  15.125 -11.588
  341    HA   ILE  43           HA       ILE  43   1.227  14.911 -13.644
  342    HB   ILE  43           HB       ILE  43   1.587  16.286 -11.537
  343   1HG1  ILE  43          2HG1      ILE  43   3.946  15.185 -11.214
  344   2HG1  ILE  43          1HG1      ILE  43   3.444  14.167 -12.559
  345   1HG2  ILE  43          1HG2      ILE  43   1.526  13.549 -10.342
  346   2HG2  ILE  43          2HG2      ILE  43   0.800  15.044  -9.758
  347   3HG2  ILE  43          3HG2      ILE  43   2.542  14.806  -9.644
  348   1HD1  ILE  43          1HD1      ILE  43   4.644  15.916 -13.530
  349   2HD1  ILE  43          2HD1      ILE  43   3.867  17.130 -12.514
  350   3HD1  ILE  43          3HD1      ILE  43   2.952  16.336 -13.796
  351    H    ILE  44           H        ILE  44  -0.356  13.053 -11.092
  352    HA   ILE  44           HA       ILE  44   1.023  10.637 -12.037
  353    HB   ILE  44           HB       ILE  44  -0.138  11.382  -9.364
  354   1HG1  ILE  44          2HG1      ILE  44   2.211  11.922  -9.821
  355   2HG1  ILE  44          1HG1      ILE  44   2.072  10.703  -8.561
  356   1HG2  ILE  44          1HG2      ILE  44   0.190   9.066  -8.614
  357   2HG2  ILE  44          2HG2      ILE  44   0.546   8.586 -10.272
  358   3HG2  ILE  44          3HG2      ILE  44  -1.056   9.186  -9.851
  359   1HD1  ILE  44          1HD1      ILE  44   2.356   9.102 -10.678
  360   2HD1  ILE  44          2HD1      ILE  44   3.719   9.749  -9.764
  361   3HD1  ILE  44          3HD1      ILE  44   3.220  10.521 -11.269
  362    H    LYS  45           H        LYS  45  -0.268  10.042 -13.714
  363    HA   LYS  45           HA       LYS  45  -2.960  10.167 -14.060
  364   1HB   LYS  45          2HB       LYS  45  -0.856   8.879 -15.333
  365   2HB   LYS  45          1HB       LYS  45  -1.971   7.578 -14.940
  366   1HG   LYS  45          2HG       LYS  45  -3.468   9.762 -15.988
  367   2HG   LYS  45          1HG       LYS  45  -2.112   9.435 -17.068
  368   1HD   LYS  45          2HD       LYS  45  -2.788   7.192 -17.398
  369   2HD   LYS  45          1HD       LYS  45  -3.923   7.258 -16.047
  370   1HE   LYS  45          2HE       LYS  45  -4.758   9.303 -17.721
  371   2HE   LYS  45          1HE       LYS  45  -4.286   8.017 -18.831
  372   1HZ   LYS  45          1HZ       LYS  45  -5.802   6.530 -17.817
  373   2HZ   LYS  45          2HZ       LYS  45  -6.655   7.966 -18.078
  374   3HZ   LYS  45          3HZ       LYS  45  -6.105   7.582 -16.526
  375    H    HIS  46           H        HIS  46  -1.278   7.397 -12.526
  376    HA   HIS  46           HA       HIS  46  -3.828   6.745 -11.206
  377   1HB   HIS  46          2HB       HIS  46  -2.479   5.181 -13.126
  378   2HB   HIS  46          1HB       HIS  46  -2.230   4.382 -11.577
  379    HD1  HIS  46           1HD      HIS  46  -4.068   2.909 -10.823
  380    HD2  HIS  46           2HD      HIS  46  -5.356   5.667 -13.645
  381    HE1  HIS  46           1HE      HIS  46  -6.458   2.301 -11.310
  382    HE2  HIS  46           2HE      HIS  46  -7.250   4.053 -12.938
  383    HA   PRO  47           HA       PRO  47  -0.729   7.192  -7.855
  384   1HB   PRO  47          2HB       PRO  47  -2.946   8.134  -6.246
  385   2HB   PRO  47          1HB       PRO  47  -1.508   9.012  -6.768
  386   1HG   PRO  47          2HG       PRO  47  -4.023   9.553  -7.677
  387   2HG   PRO  47          1HG       PRO  47  -2.550   9.881  -8.603
  388   1HD   PRO  47          2HD       PRO  47  -4.485   7.610  -8.859
  389   2HD   PRO  47          1HD       PRO  47  -3.639   8.523 -10.127
  390    H    MET  48           H        MET  48  -3.935   5.761  -7.864
  391    HA   MET  48           HA       MET  48  -4.911   4.091  -6.668
  392   1HB   MET  48          2HB       MET  48  -2.085   3.099  -6.988
  393   2HB   MET  48          1HB       MET  48  -3.363   2.104  -6.303
  394   1HG   MET  48          2HG       MET  48  -3.251   3.267  -9.071
  395   2HG   MET  48          1HG       MET  48  -3.123   1.569  -8.620
  396   1HE   MET  48          1HE       MET  48  -5.020  -0.002  -8.330
  397   2HE   MET  48          2HE       MET  48  -6.663   0.447  -7.875
  398   3HE   MET  48          3HE       MET  48  -5.328   0.739  -6.759
  399    H    ASP  49           H        ASP  49  -5.438   5.244  -4.783
  400    HA   ASP  49           HA       ASP  49  -3.654   5.471  -2.557
  401   1HB   ASP  49          2HB       ASP  49  -6.588   5.967  -2.957
  402   2HB   ASP  49          1HB       ASP  49  -5.887   6.002  -1.342
  403    H    PHE  50           H        PHE  50  -4.309   4.608  -0.361
  404    HA   PHE  50           HA       PHE  50  -4.190   1.810  -0.379
  405   1HB   PHE  50          2HB       PHE  50  -5.038   3.610   1.899
  406   2HB   PHE  50          1HB       PHE  50  -4.525   1.933   2.045
  407    HD1  PHE  50           1HD      PHE  50  -2.252   2.046   0.044
  408    HD2  PHE  50           2HD      PHE  50  -3.381   4.640   3.223
  409    HE1  PHE  50           1HE      PHE  50   0.082   2.788   0.262
  410    HE2  PHE  50           2HE      PHE  50  -1.047   5.385   3.446
  411    HZ   PHE  50           HZ       PHE  50   0.687   4.460   1.964
  412    H    SER  51           H        SER  51  -6.960   3.965  -0.309
  413    HA   SER  51           HA       SER  51  -8.859   2.015   0.543
  414   1HB   SER  51          2HB       SER  51  -9.550   4.251   0.826
  415   2HB   SER  51          1HB       SER  51  -9.108   4.691  -0.822
  416    HG   SER  51           HG       SER  51 -10.928   3.813  -1.564
  417    H    THR  52           H        THR  52  -7.757   3.155  -2.632
  418    HA   THR  52           HA       THR  52  -9.612   1.722  -4.190
  419    HB   THR  52           HB       THR  52  -6.815   2.212  -5.156
  420    HG1  THR  52           1HG      THR  52  -8.767   4.234  -4.747
  421   1HG2  THR  52          1HG2      THR  52  -9.234   1.578  -6.407
  422   2HG2  THR  52          2HG2      THR  52  -7.706   2.026  -7.164
  423   3HG2  THR  52          3HG2      THR  52  -8.906   3.265  -6.800
  424    H    MET  53           H        MET  53  -6.334   0.883  -3.092
  425    HA   MET  53           HA       MET  53  -6.309  -1.672  -4.331
  426   1HB   MET  53          2HB       MET  53  -4.311  -2.116  -3.013
  427   2HB   MET  53          1HB       MET  53  -4.238  -0.519  -3.737
  428   1HG   MET  53          2HG       MET  53  -4.954   0.438  -1.562
  429   2HG   MET  53          1HG       MET  53  -4.850  -1.180  -0.866
  430   1HE   MET  53          1HE       MET  53  -2.143  -2.018  -2.847
  431   2HE   MET  53          2HE       MET  53  -2.601  -2.651  -1.265
  432   3HE   MET  53          3HE       MET  53  -1.005  -1.939  -1.501
  433    H    LYS  54           H        LYS  54  -7.144  -0.576  -1.055
  434    HA   LYS  54           HA       LYS  54  -7.437  -3.089   0.142
  435   1HB   LYS  54          2HB       LYS  54  -7.493  -0.770   1.234
  436   2HB   LYS  54          1HB       LYS  54  -9.193  -0.727   0.788
  437   1HG   LYS  54          2HG       LYS  54  -9.517  -2.830   2.081
  438   2HG   LYS  54          1HG       LYS  54  -7.843  -2.693   2.625
  439   1HD   LYS  54          2HD       LYS  54  -8.792  -1.591   4.355
  440   2HD   LYS  54          1HD       LYS  54  -8.733  -0.227   3.237
  441   1HE   LYS  54          2HE       LYS  54 -11.103  -1.957   3.004
  442   2HE   LYS  54          1HE       LYS  54 -10.972  -1.059   4.514
  443   1HZ   LYS  54          1HZ       LYS  54 -12.199   0.218   2.909
  444   2HZ   LYS  54          2HZ       LYS  54 -10.950   0.092   1.776
  445   3HZ   LYS  54          3HZ       LYS  54 -10.715   0.983   3.195
  446    H    GLU  55           H        GLU  55  -9.794  -1.114  -1.646
  447    HA   GLU  55           HA       GLU  55 -11.995  -2.862  -1.307
  448   1HB   GLU  55          2HB       GLU  55 -11.695  -0.374  -2.342
  449   2HB   GLU  55          1HB       GLU  55 -11.841  -1.310  -3.821
  450   1HG   GLU  55          2HG       GLU  55 -13.970  -2.199  -3.082
  451   2HG   GLU  55          1HG       GLU  55 -13.817  -1.342  -1.549
  452    H    LYS  56           H        LYS  56  -9.388  -2.685  -3.663
  453    HA   LYS  56           HA       LYS  56 -10.418  -4.592  -5.488
  454   1HB   LYS  56          2HB       LYS  56  -7.980  -3.053  -5.144
  455   2HB   LYS  56          1HB       LYS  56  -7.636  -4.688  -5.685
  456   1HG   LYS  56          2HG       LYS  56  -8.210  -4.160  -7.752
  457   2HG   LYS  56          1HG       LYS  56  -9.813  -3.659  -7.210
  458   1HD   LYS  56          2HD       LYS  56  -9.229  -1.446  -7.079
  459   2HD   LYS  56          1HD       LYS  56  -7.530  -1.803  -6.760
  460   1HE   LYS  56          2HE       LYS  56  -7.291  -1.120  -8.904
  461   2HE   LYS  56          1HE       LYS  56  -7.730  -2.792  -9.242
  462   1HZ   LYS  56          1HZ       LYS  56  -8.988  -1.140 -10.559
  463   2HZ   LYS  56          2HZ       LYS  56  -9.677  -0.552  -9.131
  464   3HZ   LYS  56          3HZ       LYS  56  -9.982  -2.140  -9.626
  465    H    ILE  57           H        ILE  57  -8.175  -4.851  -2.730
  466    HA   ILE  57           HA       ILE  57  -7.501  -7.548  -3.067
  467    HB   ILE  57           HB       ILE  57  -7.779  -6.166  -0.398
  468   1HG1  ILE  57          2HG1      ILE  57  -5.123  -6.364  -1.690
  469   2HG1  ILE  57          1HG1      ILE  57  -6.233  -5.210  -2.419
  470   1HG2  ILE  57          1HG2      ILE  57  -5.633  -8.107  -0.830
  471   2HG2  ILE  57          2HG2      ILE  57  -7.254  -8.787  -0.944
  472   3HG2  ILE  57          3HG2      ILE  57  -6.755  -7.938   0.519
  473   1HD1  ILE  57          1HD1      ILE  57  -6.295  -4.880   0.407
  474   2HD1  ILE  57          2HD1      ILE  57  -5.769  -3.742  -0.833
  475   3HD1  ILE  57          3HD1      ILE  57  -4.619  -4.884  -0.138
  476    H    LYS  58           H        LYS  58 -10.257  -6.054  -1.417
  477    HA   LYS  58           HA       LYS  58 -11.301  -8.356  -0.206
  478   1HB   LYS  58          2HB       LYS  58 -12.052  -5.679  -0.437
  479   2HB   LYS  58          1HB       LYS  58 -13.381  -6.570  -1.169
  480   1HG   LYS  58          2HG       LYS  58 -14.099  -7.348   0.796
  481   2HG   LYS  58          1HG       LYS  58 -12.467  -7.701   1.365
  482   1HD   LYS  58          2HD       LYS  58 -13.184  -4.842   1.158
  483   2HD   LYS  58          1HD       LYS  58 -14.027  -5.767   2.403
  484   1HE   LYS  58          2HE       LYS  58 -11.485  -6.613   2.784
  485   2HE   LYS  58          1HE       LYS  58 -11.195  -4.969   2.217
  486   1HZ   LYS  58          1HZ       LYS  58 -13.065  -4.461   3.981
  487   2HZ   LYS  58          2HZ       LYS  58 -11.439  -4.586   4.429
  488   3HZ   LYS  58          3HZ       LYS  58 -12.487  -5.889   4.675
  489    H    ASN  59           H        ASN  59 -11.275  -7.386  -3.541
  490    HA   ASN  59           HA       ASN  59 -13.267  -9.430  -4.237
  491   1HB   ASN  59          2HB       ASN  59 -12.266  -6.949  -5.555
  492   2HB   ASN  59          1HB       ASN  59 -12.833  -8.260  -6.579
  493   1HD2  ASN  59          1HD2      ASN  59 -13.780  -6.219  -3.852
  494   2HD2  ASN  59          2HD2      ASN  59 -15.471  -6.231  -4.207
  495    H    ASN  60           H        ASN  60 -10.311  -9.796  -3.494
  496    HA   ASN  60           HA       ASN  60  -8.599 -11.161  -4.065
  497   1HB   ASN  60          2HB       ASN  60 -10.908 -12.354  -5.203
  498   2HB   ASN  60          1HB       ASN  60  -9.614 -12.495  -6.387
  499   1HD2  ASN  60          1HD2      ASN  60 -10.256 -12.952  -2.934
  500   2HD2  ASN  60          2HD2      ASN  60  -9.260 -14.350  -2.758
  501    H    ASP  61           H        ASP  61  -9.088  -8.524  -5.474
  502    HA   ASP  61           HA       ASP  61  -7.933  -8.821  -8.083
  503   1HB   ASP  61          2HB       ASP  61  -8.401  -6.429  -6.303
  504   2HB   ASP  61          1HB       ASP  61  -7.683  -6.299  -7.902
  505    H    TYR  62           H        TYR  62  -6.757  -8.104  -4.854
  506    HA   TYR  62           HA       TYR  62  -3.997  -8.225  -5.872
  507   1HB   TYR  62          2HB       TYR  62  -5.140  -6.581  -3.611
  508   2HB   TYR  62          1HB       TYR  62  -3.413  -6.846  -3.819
  509    HD1  TYR  62           1HD      TYR  62  -2.619  -6.345  -6.367
  510    HD2  TYR  62           2HD      TYR  62  -5.964  -4.594  -4.411
  511    HE1  TYR  62           1HE      TYR  62  -2.516  -4.436  -7.912
  512    HE2  TYR  62           2HE      TYR  62  -5.872  -2.682  -5.950
  513    HH   TYR  62           HH       TYR  62  -4.899  -2.383  -8.462
  514    H    GLN  63           H        GLN  63  -3.288 -10.205  -5.425
  515    HA   GLN  63           HA       GLN  63  -3.358 -11.145  -2.675
  516   1HB   GLN  63          2HB       GLN  63  -5.357 -12.108  -3.817
  517   2HB   GLN  63          1HB       GLN  63  -4.285 -12.865  -4.983
  518   1HG   GLN  63          2HG       GLN  63  -3.440 -13.548  -2.342
  519   2HG   GLN  63          1HG       GLN  63  -5.164 -13.873  -2.510
  520   1HE2  GLN  63          1HE2      GLN  63  -3.460 -15.940  -2.104
  521   2HE2  GLN  63          2HE2      GLN  63  -3.314 -16.889  -3.539
  522    H    SER  64           H        SER  64  -1.441 -10.143  -4.802
  523    HA   SER  64           HA       SER  64   0.492 -12.333  -4.545
  524   1HB   SER  64          2HB       SER  64  -0.239 -12.288  -6.872
  525   2HB   SER  64          1HB       SER  64   0.100 -10.561  -6.969
  526    HG   SER  64           HG       SER  64   1.863 -11.574  -7.809
  527    H    ILE  65           H        ILE  65   2.475 -11.759  -3.948
  528    HA   ILE  65           HA       ILE  65   2.936  -9.424  -2.536
  529    HB   ILE  65           HB       ILE  65   5.368 -10.027  -2.683
  530   1HG1  ILE  65          2HG1      ILE  65   5.382 -12.616  -3.572
  531   2HG1  ILE  65          1HG1      ILE  65   4.303 -11.851  -4.732
  532   1HG2  ILE  65          1HG2      ILE  65   3.197 -11.689  -1.615
  533   2HG2  ILE  65          2HG2      ILE  65   4.561 -10.930  -0.792
  534   3HG2  ILE  65          3HG2      ILE  65   4.790 -12.446  -1.664
  535   1HD1  ILE  65          1HD1      ILE  65   6.972 -11.960  -4.997
  536   2HD1  ILE  65          2HD1      ILE  65   6.804 -10.405  -4.183
  537   3HD1  ILE  65          3HD1      ILE  65   5.965 -10.699  -5.706
  538    H    GLU  66           H        GLU  66   3.790 -10.227  -5.880
  539    HA   GLU  66           HA       GLU  66   5.216  -7.821  -6.396
  540   1HB   GLU  66          2HB       GLU  66   5.460  -9.938  -7.709
  541   2HB   GLU  66          1HB       GLU  66   3.866  -9.648  -8.393
  542   1HG   GLU  66          2HG       GLU  66   5.583  -7.342  -8.687
  543   2HG   GLU  66          1HG       GLU  66   6.303  -8.786  -9.394
  544    H    GLU  67           H        GLU  67   1.856  -8.816  -6.824
  545    HA   GLU  67           HA       GLU  67   1.039  -6.536  -8.310
  546   1HB   GLU  67          2HB       GLU  67  -0.114  -8.852  -8.004
  547   2HB   GLU  67          1HB       GLU  67  -0.815  -8.129  -6.563
  548   1HG   GLU  67          2HG       GLU  67  -2.444  -7.720  -8.103
  549   2HG   GLU  67          1HG       GLU  67  -1.514  -6.226  -8.195
  550    H    LEU  68           H        LEU  68   0.824  -7.405  -4.885
  551    HA   LEU  68           HA       LEU  68  -0.515  -5.106  -3.996
  552   1HB   LEU  68          2HB       LEU  68  -0.019  -7.339  -2.791
  553   2HB   LEU  68          1HB       LEU  68   1.503  -6.596  -2.344
  554    HG   LEU  68           HG       LEU  68   0.366  -4.865  -1.106
  555   1HD1  LEU  68          1HD1      LEU  68  -2.165  -5.110  -0.832
  556   2HD1  LEU  68          2HD1      LEU  68  -2.104  -6.076  -2.307
  557   3HD1  LEU  68          3HD1      LEU  68  -1.572  -4.395  -2.332
  558   1HD2  LEU  68          1HD2      LEU  68  -0.287  -7.718  -0.590
  559   2HD2  LEU  68          2HD2      LEU  68  -1.043  -6.488   0.422
  560   3HD2  LEU  68          3HD2      LEU  68   0.714  -6.600   0.337
  561    H    LYS  69           H        LYS  69   2.967  -5.875  -4.023
  562    HA   LYS  69           HA       LYS  69   3.861  -3.451  -2.953
  563   1HB   LYS  69          2HB       LYS  69   5.146  -5.670  -3.421
  564   2HB   LYS  69          1HB       LYS  69   5.471  -4.949  -4.991
  565   1HG   LYS  69          2HG       LYS  69   6.984  -3.522  -4.166
  566   2HG   LYS  69          1HG       LYS  69   6.026  -3.181  -2.724
  567   1HD   LYS  69          2HD       LYS  69   7.420  -4.454  -1.548
  568   2HD   LYS  69          1HD       LYS  69   6.895  -5.849  -2.491
  569   1HE   LYS  69          2HE       LYS  69   8.608  -5.046  -4.235
  570   2HE   LYS  69          1HE       LYS  69   9.264  -4.060  -2.929
  571   1HZ   LYS  69          1HZ       LYS  69   9.264  -6.291  -1.648
  572   2HZ   LYS  69          2HZ       LYS  69  10.492  -5.983  -2.769
  573   3HZ   LYS  69          3HZ       LYS  69   9.203  -6.992  -3.187
  574    H    ASP  70           H        ASP  70   3.141  -4.375  -6.293
  575    HA   ASP  70           HA       ASP  70   4.255  -2.149  -7.574
  576   1HB   ASP  70          2HB       ASP  70   2.985  -4.388  -8.442
  577   2HB   ASP  70          1HB       ASP  70   1.732  -3.181  -8.720
  578    H    ASN  71           H        ASN  71   0.964  -2.633  -6.279
  579    HA   ASN  71           HA       ASN  71   0.067  -0.038  -7.075
  580   1HB   ASN  71          2HB       ASN  71  -1.434  -2.017  -6.673
  581   2HB   ASN  71          1HB       ASN  71  -1.147  -1.809  -4.947
  582   1HD2  ASN  71          1HD2      ASN  71  -1.747   0.268  -4.010
  583   2HD2  ASN  71          2HD2      ASN  71  -3.095   1.122  -4.668
  584    H    PHE  72           H        PHE  72   1.025  -1.419  -3.934
  585    HA   PHE  72           HA       PHE  72   0.643   0.890  -2.396
  586   1HB   PHE  72          2HB       PHE  72   0.977  -1.339  -1.418
  587   2HB   PHE  72          1HB       PHE  72   2.639  -1.352  -1.990
  588    HD1  PHE  72           1HD      PHE  72   0.312   0.544   0.205
  589    HD2  PHE  72           2HD      PHE  72   4.337  -0.557  -0.632
  590    HE1  PHE  72           1HE      PHE  72   1.035   1.604   2.304
  591    HE2  PHE  72           2HE      PHE  72   5.066   0.501   1.466
  592    HZ   PHE  72           HZ       PHE  72   3.414   1.584   2.936
  593    H    LYS  73           H        LYS  73   3.508  -0.293  -4.115
  594    HA   LYS  73           HA       LYS  73   5.220   1.811  -3.312
  595   1HB   LYS  73          2HB       LYS  73   5.926  -0.435  -4.240
  596   2HB   LYS  73          1HB       LYS  73   5.496   0.174  -5.831
  597   1HG   LYS  73          2HG       LYS  73   7.178   2.098  -4.616
  598   2HG   LYS  73          1HG       LYS  73   7.917   0.514  -4.378
  599   1HD   LYS  73          2HD       LYS  73   6.849   0.930  -7.073
  600   2HD   LYS  73          1HD       LYS  73   8.140   2.049  -6.638
  601   1HE   LYS  73          2HE       LYS  73   8.635  -0.754  -5.908
  602   2HE   LYS  73          1HE       LYS  73   8.525  -0.451  -7.641
  603   1HZ   LYS  73          1HZ       LYS  73  10.779  -0.198  -6.330
  604   2HZ   LYS  73          2HZ       LYS  73  10.188   1.361  -6.054
  605   3HZ   LYS  73          3HZ       LYS  73  10.400   0.805  -7.637
  606    H    LEU  74           H        LEU  74   2.995   1.421  -6.035
  607    HA   LEU  74           HA       LEU  74   3.903   3.546  -7.619
  608   1HB   LEU  74          2HB       LEU  74   1.273   2.160  -7.305
  609   2HB   LEU  74          1HB       LEU  74   1.339   3.639  -8.241
  610    HG   LEU  74           HG       LEU  74   3.219   1.398  -8.880
  611   1HD1  LEU  74          1HD1      LEU  74   0.800   1.419 -10.492
  612   2HD1  LEU  74          2HD1      LEU  74   0.491   0.990  -8.809
  613   3HD1  LEU  74          3HD1      LEU  74   1.659   0.067  -9.756
  614   1HD2  LEU  74          1HD2      LEU  74   2.802   2.377 -11.194
  615   2HD2  LEU  74          2HD2      LEU  74   3.711   3.371 -10.055
  616   3HD2  LEU  74          3HD2      LEU  74   2.007   3.715 -10.362
  617    H    MET  75           H        MET  75   1.436   3.522  -5.022
  618    HA   MET  75           HA       MET  75   0.854   6.291  -5.252
  619   1HB   MET  75          2HB       MET  75  -0.464   4.377  -4.023
  620   2HB   MET  75          1HB       MET  75   0.514   4.869  -2.648
  621   1HG   MET  75          2HG       MET  75  -0.995   6.924  -4.214
  622   2HG   MET  75          1HG       MET  75  -1.827   5.928  -3.018
  623   1HE   MET  75          1HE       MET  75   0.941   5.722  -0.913
  624   2HE   MET  75          2HE       MET  75  -0.788   5.580  -0.594
  625   3HE   MET  75          3HE       MET  75   0.168   6.800   0.248
  626    H    CYS  76           H        CYS  76   3.102   4.470  -3.208
  627    HA   CYS  76           HA       CYS  76   3.926   6.601  -1.579
  628   1HB   CYS  76          2HB       CYS  76   5.075   3.950  -2.327
  629   2HB   CYS  76          1HB       CYS  76   6.125   5.116  -1.534
  630    HG   CYS  76           HG       CYS  76   4.861   4.854   0.600
  631    H    THR  77           H        THR  77   5.348   5.328  -4.593
  632    HA   THR  77           HA       THR  77   7.401   7.305  -4.716
  633    HB   THR  77           HB       THR  77   6.298   5.600  -6.960
  634    HG1  THR  77           1HG      THR  77   7.097   4.053  -5.789
  635   1HG2  THR  77          1HG2      THR  77   7.953   6.290  -8.267
  636   2HG2  THR  77          2HG2      THR  77   9.140   6.178  -6.967
  637   3HG2  THR  77          3HG2      THR  77   8.147   7.625  -7.132
  638    H    ASN  78           H        ASN  78   4.217   6.965  -6.256
  639    HA   ASN  78           HA       ASN  78   4.393   9.243  -7.905
  640   1HB   ASN  78          2HB       ASN  78   2.038   7.713  -6.796
  641   2HB   ASN  78          1HB       ASN  78   1.858   9.073  -7.888
  642   1HD2  ASN  78          1HD2      ASN  78   0.751   6.968  -8.863
  643   2HD2  ASN  78          2HD2      ASN  78   1.714   6.150 -10.031
  644    H    ALA  79           H        ALA  79   3.285   8.786  -4.582
  645    HA   ALA  79           HA       ALA  79   2.243  11.430  -4.291
  646   1HB   ALA  79          1HB       ALA  79   1.365   9.730  -2.868
  647   2HB   ALA  79          2HB       ALA  79   2.238  10.876  -1.850
  648   3HB   ALA  79          3HB       ALA  79   2.971   9.326  -2.261
  649    H    MET  80           H        MET  80   5.307   9.855  -3.422
  650    HA   MET  80           HA       MET  80   6.405  12.088  -2.067
  651   1HB   MET  80          2HB       MET  80   7.266   9.442  -2.831
  652   2HB   MET  80          1HB       MET  80   8.536  10.606  -3.177
  653   1HG   MET  80          2HG       MET  80   8.351  11.421  -0.843
  654   2HG   MET  80          1HG       MET  80   7.195  10.127  -0.529
  655   1HE   MET  80          1HE       MET  80  11.601   9.896  -1.474
  656   2HE   MET  80          2HE       MET  80  10.361  10.819  -2.323
  657   3HE   MET  80          3HE       MET  80  10.677   9.143  -2.774
  658    H    ILE  81           H        ILE  81   6.517  11.060  -5.468
  659    HA   ILE  81           HA       ILE  81   8.435  12.983  -6.274
  660    HB   ILE  81           HB       ILE  81   7.970  11.015  -7.647
  661   1HG1  ILE  81          2HG1      ILE  81   7.698  12.249  -9.873
  662   2HG1  ILE  81          1HG1      ILE  81   7.525  13.716  -8.915
  663   1HG2  ILE  81          1HG2      ILE  81   5.975  10.789  -8.969
  664   2HG2  ILE  81          2HG2      ILE  81   5.342  12.311  -8.344
  665   3HG2  ILE  81          3HG2      ILE  81   5.534  10.928  -7.270
  666   1HD1  ILE  81          1HD1      ILE  81   9.796  12.684  -7.870
  667   2HD1  ILE  81          2HD1      ILE  81   9.740  13.856  -9.188
  668   3HD1  ILE  81          3HD1      ILE  81   9.908  12.136  -9.541
  669    H    TYR  82           H        TYR  82   4.856  13.022  -6.335
  670    HA   TYR  82           HA       TYR  82   4.818  15.703  -7.402
  671   1HB   TYR  82          2HB       TYR  82   3.039  13.991  -7.866
  672   2HB   TYR  82          1HB       TYR  82   2.514  14.164  -6.195
  673    HD1  TYR  82           2HD      TYR  82   3.580  16.777  -8.643
  674    HD2  TYR  82           1HD      TYR  82   0.419  15.156  -6.302
  675    HE1  TYR  82           2HE      TYR  82   2.138  18.657  -9.297
  676    HE2  TYR  82           1HE      TYR  82  -1.028  17.029  -6.952
  677    HH   TYR  82           HH       TYR  82   0.101  19.840  -8.340
  678    H    ASN  83           H        ASN  83   4.949  14.303  -4.239
  679    HA   ASN  83           HA       ASN  83   4.247  16.897  -3.039
  680   1HB   ASN  83          2HB       ASN  83   3.040  14.611  -2.445
  681   2HB   ASN  83          1HB       ASN  83   4.436  14.415  -1.388
  682   1HD2  ASN  83          1HD2      ASN  83   1.356  15.349  -1.372
  683   2HD2  ASN  83          2HD2      ASN  83   1.387  16.541  -0.123
  684    H    LYS  84           H        LYS  84   6.172  17.954  -3.035
  685    HA   LYS  84           HA       LYS  84   8.666  16.755  -2.366
  686   1HB   LYS  84          2HB       LYS  84   9.551  19.025  -2.375
  687   2HB   LYS  84          1HB       LYS  84   8.487  18.790  -3.754
  688   1HG   LYS  84          2HG       LYS  84   6.935  19.794  -1.593
  689   2HG   LYS  84          1HG       LYS  84   8.377  20.794  -1.760
  690   1HD   LYS  84          2HD       LYS  84   7.249  20.187  -4.345
  691   2HD   LYS  84          1HD       LYS  84   6.036  20.913  -3.288
  692   1HE   LYS  84          2HE       LYS  84   8.785  22.060  -3.759
  693   2HE   LYS  84          1HE       LYS  84   7.341  22.556  -4.638
  694   1HZ   LYS  84          1HZ       LYS  84   8.074  23.902  -2.589
  695   2HZ   LYS  84          2HZ       LYS  84   7.389  22.645  -1.686
  696   3HZ   LYS  84          3HZ       LYS  84   6.432  23.532  -2.765
  697    HA   PRO  85           HA       PRO  85   8.777  16.801   2.040
  698   1HB   PRO  85          2HB       PRO  85  11.186  18.024   2.584
  699   2HB   PRO  85          1HB       PRO  85  11.008  16.334   2.102
  700   1HG   PRO  85          2HG       PRO  85  11.725  18.714   0.442
  701   2HG   PRO  85          1HG       PRO  85  12.399  17.075   0.399
  702   1HD   PRO  85          2HD       PRO  85  10.622  17.913  -1.427
  703   2HD   PRO  85          1HD       PRO  85  10.614  16.243  -0.827
  704    H    GLU  86           H        GLU  86   6.987  18.399   1.898
  705    HA   GLU  86           HA       GLU  86   7.601  21.175   2.356
  706   1HB   GLU  86          2HB       GLU  86   5.478  19.925   1.262
  707   2HB   GLU  86          1HB       GLU  86   4.872  20.151   2.895
  708   1HG   GLU  86          2HG       GLU  86   4.134  22.059   1.872
  709   2HG   GLU  86          1HG       GLU  86   5.662  22.609   2.557
  710    H    THR  87           H        THR  87   5.823  18.740   4.289
  711    HA   THR  87           HA       THR  87   7.035  19.856   6.705
  712    HB   THR  87           HB       THR  87   4.501  19.392   7.613
  713    HG1  THR  87           1HG      THR  87   3.872  19.197   5.313
  714   1HG2  THR  87          1HG2      THR  87   5.451  22.022   6.505
  715   2HG2  THR  87          2HG2      THR  87   5.850  21.379   8.099
  716   3HG2  THR  87          3HG2      THR  87   4.178  21.779   7.700
  717    H    ILE  88           H        ILE  88   4.309  17.608   6.408
  718    HA   ILE  88           HA       ILE  88   6.071  15.459   7.383
  719    HB   ILE  88           HB       ILE  88   3.152  15.737   8.097
  720   1HG1  ILE  88          2HG1      ILE  88   4.858  16.127  10.356
  721   2HG1  ILE  88          1HG1      ILE  88   5.366  17.245   9.096
  722   1HG2  ILE  88          1HG2      ILE  88   4.266  14.222  10.029
  723   2HG2  ILE  88          2HG2      ILE  88   5.281  13.780   8.656
  724   3HG2  ILE  88          3HG2      ILE  88   3.534  13.564   8.566
  725   1HD1  ILE  88          1HD1      ILE  88   3.801  18.552  10.026
  726   2HD1  ILE  88          2HD1      ILE  88   2.910  17.192  10.708
  727   3HD1  ILE  88          3HD1      ILE  88   2.704  17.617   9.008
  728    H    TYR  89           H        TYR  89   4.258  16.435   4.776
  729    HA   TYR  89           HA       TYR  89   2.835  14.097   4.083
  730   1HB   TYR  89          2HB       TYR  89   3.929  16.362   2.412
  731   2HB   TYR  89          1HB       TYR  89   2.987  15.043   1.726
  732    HD1  TYR  89           1HD      TYR  89   0.607  14.848   2.180
  733    HD2  TYR  89           2HD      TYR  89   2.884  18.039   3.833
  734    HE1  TYR  89           1HE      TYR  89  -1.472  16.036   2.734
  735    HE2  TYR  89           2HE      TYR  89   0.811  19.236   4.393
  736    HH   TYR  89           HH       TYR  89  -1.951  18.823   3.125
  737    H    TYR  90           H        TYR  90   6.090  15.239   3.177
  738    HA   TYR  90           HA       TYR  90   6.725  13.014   1.541
  739   1HB   TYR  90          2HB       TYR  90   7.989  15.117   1.415
  740   2HB   TYR  90          1HB       TYR  90   8.591  14.866   3.051
  741    HD1  TYR  90           1HD      TYR  90  10.222  13.046   3.502
  742    HD2  TYR  90           2HD      TYR  90   8.964  13.987  -0.453
  743    HE1  TYR  90           1HE      TYR  90  12.136  11.793   2.602
  744    HE2  TYR  90           2HE      TYR  90  10.874  12.736  -1.363
  745    HH   TYR  90           HH       TYR  90  13.231  12.069  -0.484
  746    H    LYS  91           H        LYS  91   7.460  13.738   4.948
  747    HA   LYS  91           HA       LYS  91   8.898  11.391   5.497
  748   1HB   LYS  91          2HB       LYS  91   7.576  13.500   7.092
  749   2HB   LYS  91          1HB       LYS  91   7.803  11.962   7.910
  750   1HG   LYS  91          2HG       LYS  91   9.803  12.805   8.447
  751   2HG   LYS  91          1HG       LYS  91  10.252  12.315   6.812
  752   1HD   LYS  91          2HD       LYS  91   8.961  14.932   6.923
  753   2HD   LYS  91          1HD       LYS  91  10.460  14.856   7.850
  754   1HE   LYS  91          2HE       LYS  91  10.842  13.533   5.347
  755   2HE   LYS  91          1HE       LYS  91  10.137  15.122   5.052
  756   1HZ   LYS  91          1HZ       LYS  91  12.487  15.349   5.066
  757   2HZ   LYS  91          2HZ       LYS  91  12.638  14.516   6.530
  758   3HZ   LYS  91          3HZ       LYS  91  11.918  16.047   6.499
  759    H    ALA  92           H        ALA  92   5.428  12.106   5.704
  760    HA   ALA  92           HA       ALA  92   4.581   9.768   6.973
  761   1HB   ALA  92          1HB       ALA  92   2.454  10.250   5.452
  762   2HB   ALA  92          2HB       ALA  92   3.293  11.782   5.221
  763   3HB   ALA  92          3HB       ALA  92   2.864  11.251   6.846
  764    H    ALA  93           H        ALA  93   4.980  10.439   3.495
  765    HA   ALA  93           HA       ALA  93   4.103   7.916   2.583
  766   1HB   ALA  93          1HB       ALA  93   5.161   8.505   0.462
  767   2HB   ALA  93          2HB       ALA  93   6.011   9.837   1.245
  768   3HB   ALA  93          3HB       ALA  93   4.253   9.868   1.115
  769    H    LYS  94           H        LYS  94   7.353   9.160   3.321
  770    HA   LYS  94           HA       LYS  94   8.775   6.854   2.556
  771   1HB   LYS  94          2HB       LYS  94   9.666   9.209   3.082
  772   2HB   LYS  94          1HB       LYS  94   9.648   8.705   4.765
  773   1HG   LYS  94          2HG       LYS  94  11.450   7.376   4.527
  774   2HG   LYS  94          1HG       LYS  94  10.993   6.864   2.902
  775   1HD   LYS  94          2HD       LYS  94  11.570   9.495   2.499
  776   2HD   LYS  94          1HD       LYS  94  12.715   9.079   3.776
  777   1HE   LYS  94          2HE       LYS  94  14.010   8.365   2.089
  778   2HE   LYS  94          1HE       LYS  94  12.965   6.945   2.102
  779   1HZ   LYS  94          1HZ       LYS  94  13.140   7.767  -0.122
  780   2HZ   LYS  94          2HZ       LYS  94  12.701   9.331   0.351
  781   3HZ   LYS  94          3HZ       LYS  94  11.569   8.076   0.425
  782    H    LYS  95           H        LYS  95   7.434   7.861   5.688
  783    HA   LYS  95           HA       LYS  95   8.412   5.667   7.180
  784   1HB   LYS  95          2HB       LYS  95   6.084   7.536   7.633
  785   2HB   LYS  95          1HB       LYS  95   6.550   6.295   8.787
  786   1HG   LYS  95          2HG       LYS  95   8.669   7.327   9.156
  787   2HG   LYS  95          1HG       LYS  95   8.403   8.467   7.835
  788   1HD   LYS  95          2HD       LYS  95   6.660   9.568   9.036
  789   2HD   LYS  95          1HD       LYS  95   6.641   8.310  10.274
  790   1HE   LYS  95          2HE       LYS  95   9.235   9.107  10.375
  791   2HE   LYS  95          1HE       LYS  95   8.436  10.617   9.942
  792   1HZ   LYS  95          1HZ       LYS  95   8.146   8.995  12.376
  793   2HZ   LYS  95          2HZ       LYS  95   6.851   9.958  11.872
  794   3HZ   LYS  95          3HZ       LYS  95   8.347  10.667  12.220
  795    H    LEU  96           H        LEU  96   5.300   6.239   5.549
  796    HA   LEU  96           HA       LEU  96   4.074   3.825   6.342
  797   1HB   LEU  96          2HB       LEU  96   3.278   6.061   4.957
  798   2HB   LEU  96          1HB       LEU  96   3.276   4.833   3.707
  799    HG   LEU  96           HG       LEU  96   1.075   5.146   4.819
  800   1HD1  LEU  96          1HD1      LEU  96   1.851   2.400   5.569
  801   2HD1  LEU  96          2HD1      LEU  96   2.180   2.886   3.906
  802   3HD1  LEU  96          3HD1      LEU  96   0.538   2.973   4.541
  803   1HD2  LEU  96          1HD2      LEU  96   1.777   3.624   7.194
  804   2HD2  LEU  96          2HD2      LEU  96   0.798   5.081   7.031
  805   3HD2  LEU  96          3HD2      LEU  96   2.552   5.206   7.144
  806    H    LEU  97           H        LEU  97   6.005   4.675   3.492
  807    HA   LEU  97           HA       LEU  97   5.693   2.301   2.050
  808   1HB   LEU  97          2HB       LEU  97   6.825   4.519   1.371
  809   2HB   LEU  97          1HB       LEU  97   8.268   3.854   2.110
  810    HG   LEU  97           HG       LEU  97   6.778   2.437  -0.093
  811   1HD1  LEU  97          1HD1      LEU  97   7.974   3.512  -1.712
  812   2HD1  LEU  97          2HD1      LEU  97   9.296   3.926  -0.621
  813   3HD1  LEU  97          3HD1      LEU  97   7.784   4.831  -0.557
  814   1HD2  LEU  97          1HD2      LEU  97   9.269   1.992   1.436
  815   2HD2  LEU  97          2HD2      LEU  97   9.332   1.661  -0.294
  816   3HD2  LEU  97          3HD2      LEU  97   8.152   0.833   0.719
  817    H    HIS  98           H        HIS  98   8.093   3.181   4.514
  818    HA   HIS  98           HA       HIS  98   9.568   0.776   4.375
  819   1HB   HIS  98          2HB       HIS  98   9.407   3.077   6.249
  820   2HB   HIS  98          1HB       HIS  98  10.125   1.591   6.865
  821    HD1  HIS  98           1HD      HIS  98  10.549   3.947   3.911
  822    HD2  HIS  98           2HD      HIS  98  12.755   1.322   6.260
  823    HE1  HIS  98           1HE      HIS  98  12.929   4.183   3.130
  824    HE2  HIS  98           2HE      HIS  98  14.237   2.544   4.527
  825    H    SER  99           H        SER  99   6.909   1.799   6.520
  826    HA   SER  99           HA       SER  99   6.931  -0.521   8.131
  827   1HB   SER  99          2HB       SER  99   4.438   0.191   8.517
  828   2HB   SER  99          1HB       SER  99   5.739   1.223   9.105
  829    HG   SER  99           HG       SER  99   5.305   2.673   7.587
  830    H    GLY 100           H        GLY 100   4.993   0.342   5.270
  831   1HA   GLY 100          2HA       GLY 100   3.438  -1.987   5.153
  832   2HA   GLY 100          1HA       GLY 100   3.832  -0.963   3.780
  833    H    MET 101           H        MET 101   6.670  -1.324   3.878
  834    HA   MET 101           HA       MET 101   6.921  -3.657   2.316
  835   1HB   MET 101          2HB       MET 101   8.754  -1.594   3.385
  836   2HB   MET 101          1HB       MET 101   9.490  -3.139   2.985
  837   1HG   MET 101          2HG       MET 101   8.117  -2.799   0.752
  838   2HG   MET 101          1HG       MET 101   8.251  -1.106   1.219
  839   1HE   MET 101          1HE       MET 101   9.155  -0.564  -0.757
  840   2HE   MET 101          2HE       MET 101  10.639  -1.132  -1.522
  841   3HE   MET 101          3HE       MET 101  10.710   0.119  -0.281
  842    H    LYS 102           H        LYS 102   7.777  -2.990   5.703
  843    HA   LYS 102           HA       LYS 102   8.988  -5.521   6.163
  844   1HB   LYS 102          2HB       LYS 102   8.034  -3.289   7.914
  845   2HB   LYS 102          1HB       LYS 102   8.386  -4.848   8.648
  846   1HG   LYS 102          2HG       LYS 102  10.285  -3.295   8.754
  847   2HG   LYS 102          1HG       LYS 102  10.660  -4.761   7.848
  848   1HD   LYS 102          2HD       LYS 102  11.069  -3.611   5.976
  849   2HD   LYS 102          1HD       LYS 102   9.589  -2.669   6.151
  850   1HE   LYS 102          2HE       LYS 102  11.089  -0.981   6.390
  851   2HE   LYS 102          1HE       LYS 102  11.021  -1.507   8.070
  852   1HZ   LYS 102          1HZ       LYS 102  13.053  -2.586   7.897
  853   2HZ   LYS 102          2HZ       LYS 102  13.302  -1.180   6.992
  854   3HZ   LYS 102          3HZ       LYS 102  13.010  -2.648   6.205
  855    H    ILE 103           H        ILE 103   5.736  -4.238   6.756
  856    HA   ILE 103           HA       ILE 103   4.727  -6.566   8.017
  857    HB   ILE 103           HB       ILE 103   3.077  -4.584   6.444
  858   1HG1  ILE 103          2HG1      ILE 103   3.403  -4.352   9.399
  859   2HG1  ILE 103          1HG1      ILE 103   4.722  -3.770   8.392
  860   1HG2  ILE 103          1HG2      ILE 103   1.949  -6.664   7.105
  861   2HG2  ILE 103          2HG2      ILE 103   1.284  -5.256   7.930
  862   3HG2  ILE 103          3HG2      ILE 103   2.373  -6.348   8.786
  863   1HD1  ILE 103          1HD1      ILE 103   2.540  -2.653   7.188
  864   2HD1  ILE 103          2HD1      ILE 103   3.593  -1.853   8.355
  865   3HD1  ILE 103          3HD1      ILE 103   2.098  -2.618   8.895
  866    H    LEU 104           H        LEU 104   4.924  -5.584   4.627
  867    HA   LEU 104           HA       LEU 104   3.250  -7.569   3.542
  868   1HB   LEU 104          2HB       LEU 104   5.036  -5.564   2.554
  869   2HB   LEU 104          1HB       LEU 104   5.370  -7.069   1.722
  870    HG   LEU 104           HG       LEU 104   2.531  -6.169   1.930
  871   1HD1  LEU 104          1HD1      LEU 104   3.283  -4.148   1.144
  872   2HD1  LEU 104          2HD1      LEU 104   3.060  -5.033  -0.366
  873   3HD1  LEU 104          3HD1      LEU 104   4.674  -4.857   0.325
  874   1HD2  LEU 104          1HD2      LEU 104   2.480  -7.214  -0.334
  875   2HD2  LEU 104          2HD2      LEU 104   2.934  -8.322   0.960
  876   3HD2  LEU 104          3HD2      LEU 104   4.171  -7.665  -0.111
  877    H    SER 105           H        SER 105   6.735  -7.552   4.219
  878    HA   SER 105           HA       SER 105   7.314 -10.089   3.129
  879   1HB   SER 105          2HB       SER 105   8.745  -8.634   5.366
  880   2HB   SER 105          1HB       SER 105   9.393  -9.978   4.427
  881    HG   SER 105           HG       SER 105   9.229  -7.327   3.796
  882    H    GLN 106           H        GLN 106   5.915  -9.117   6.169
  883    HA   GLN 106           HA       GLN 106   6.451 -11.320   7.771
  884   1HB   GLN 106          2HB       GLN 106   4.991  -9.050   8.079
  885   2HB   GLN 106          1HB       GLN 106   3.706 -10.246   7.961
  886   1HG   GLN 106          2HG       GLN 106   4.128 -10.074  10.241
  887   2HG   GLN 106          1HG       GLN 106   4.980 -11.539   9.755
  888   1HE2  GLN 106          1HE2      GLN 106   5.234  -8.538  11.276
  889   2HE2  GLN 106          2HE2      GLN 106   6.953  -8.490  11.445
  890    H    GLU 107           H        GLU 107   4.080 -10.939   5.188
  891    HA   GLU 107           HA       GLU 107   2.480 -13.176   5.639
  892   1HB   GLU 107          2HB       GLU 107   3.284 -11.727   3.129
  893   2HB   GLU 107          1HB       GLU 107   2.266 -13.158   3.057
  894   1HG   GLU 107          2HG       GLU 107   0.768 -11.913   4.741
  895   2HG   GLU 107          1HG       GLU 107   1.669 -10.481   4.248
  896    H    ARG 108           H        ARG 108   5.662 -12.920   4.146
  897    HA   ARG 108           HA       ARG 108   5.724 -15.856   3.924
  898   1HB   ARG 108          2HB       ARG 108   7.297 -15.590   2.051
  899   2HB   ARG 108          1HB       ARG 108   5.749 -14.829   1.720
  900   1HG   ARG 108          2HG       ARG 108   7.365 -12.839   2.876
  901   2HG   ARG 108          1HG       ARG 108   8.376 -13.687   1.704
  902   1HD   ARG 108          2HD       ARG 108   5.778 -13.245   0.580
  903   2HD   ARG 108          1HD       ARG 108   6.409 -11.724   1.210
  904    HE   ARG 108           HE       ARG 108   7.999 -11.729  -0.439
  905   1HH1  ARG 108          1HH1      ARG 108   6.512 -14.897  -0.298
  906   2HH1  ARG 108          2HH1      ARG 108   7.281 -15.459  -1.743
  907   1HH2  ARG 108          1HH2      ARG 108   9.017 -12.478  -2.339
  908   2HH2  ARG 108          2HH2      ARG 108   8.704 -14.086  -2.903
  909    H    LEU 109           H        LEU 109   6.397 -15.518   6.267
  910    HA   LEU 109           HA       LEU 109   8.964 -14.439   6.839
  911   1HB   LEU 109          2HB       LEU 109   8.734 -15.483   9.024
  912   2HB   LEU 109          1HB       LEU 109   7.262 -14.648   8.570
  913    HG   LEU 109           HG       LEU 109   7.210 -17.467   7.821
  914   1HD1  LEU 109          1HD1      LEU 109   7.109 -16.978  10.769
  915   2HD1  LEU 109          2HD1      LEU 109   8.643 -17.343   9.978
  916   3HD1  LEU 109          3HD1      LEU 109   7.309 -18.494   9.889
  917   1HD2  LEU 109          1HD2      LEU 109   5.460 -15.558   9.343
  918   2HD2  LEU 109          2HD2      LEU 109   5.074 -17.273   9.203
  919   3HD2  LEU 109          3HD2      LEU 109   5.191 -16.276   7.755
  920    H    GLU 110           H        GLU 110  10.938 -15.380   6.979
  921    HA   GLU 110           HA       GLU 110  12.633 -16.816   6.543
  922   1HB   GLU 110          2HB       GLU 110  10.706 -18.301   8.021
  923   2HB   GLU 110          1HB       GLU 110  11.384 -19.368   6.797
  924   1HG   GLU 110          2HG       GLU 110  13.628 -18.878   7.584
  925   2HG   GLU 110          1HG       GLU 110  12.977 -17.759   8.783
  926    H    HIS 111           H        HIS 111  10.838 -16.002   4.355
  927    HA   HIS 111           HA       HIS 111  11.236 -18.278   2.524
  928   1HB   HIS 111          2HB       HIS 111   9.098 -16.206   2.714
  929   2HB   HIS 111          1HB       HIS 111   9.535 -16.796   1.116
  930    HD1  HIS 111           1HD      HIS 111   7.533 -18.195   0.593
  931    HD2  HIS 111           2HD      HIS 111   9.169 -19.096   4.304
  932    HE1  HIS 111           1HE      HIS 111   6.311 -20.243   1.384
  933    HE2  HIS 111           2HE      HIS 111   7.420 -20.852   3.564
  934    H    HIS 112           H        HIS 112  11.526 -14.769   2.888
  935    HA   HIS 112           HA       HIS 112  12.634 -14.219   0.355
  936   1HB   HIS 112          2HB       HIS 112  13.503 -12.122   1.481
  937   2HB   HIS 112          1HB       HIS 112  11.766 -12.385   1.594
  938    HD1  HIS 112           1HD      HIS 112  13.752 -14.429   3.934
  939    HD2  HIS 112           2HD      HIS 112  11.927 -10.694   3.921
  940    HE1  HIS 112           1HE      HIS 112  13.645 -13.727   6.342
  941    HE2  HIS 112           2HE      HIS 112  12.599 -11.435   6.306
  942    H    HIS 113           H        HIS 113  14.918 -13.116   0.273
  943    HA   HIS 113           HA       HIS 113  16.829 -15.128   1.226
  944   1HB   HIS 113          2HB       HIS 113  18.349 -14.084  -0.527
  945   2HB   HIS 113          1HB       HIS 113  16.948 -14.960  -1.128
  946    HD1  HIS 113           1HD      HIS 113  18.560 -11.653  -1.154
  947    HD2  HIS 113           2HD      HIS 113  14.871 -13.259  -2.179
  948    HE1  HIS 113           1HE      HIS 113  17.447  -9.913  -2.587
  949    HE2  HIS 113           2HE      HIS 113  15.187 -10.880  -3.142
  950    H    HIS 114           H        HIS 114  16.387 -11.601   1.020
  951    HA   HIS 114           HA       HIS 114  18.726 -11.173   2.711
  952   1HB   HIS 114          2HB       HIS 114  16.859  -9.287   1.273
  953   2HB   HIS 114          1HB       HIS 114  18.096  -8.726   2.389
  954    HD1  HIS 114           1HD      HIS 114  20.179 -10.994   1.271
  955    HD2  HIS 114           2HD      HIS 114  18.180  -8.044  -0.867
  956    HE1  HIS 114           1HE      HIS 114  21.547 -10.623  -0.807
  957    HE2  HIS 114           2HE      HIS 114  20.239  -8.942  -2.148
  958    H    HIS 115           H        HIS 115  18.472  -9.510   4.500
  959    HA   HIS 115           HA       HIS 115  15.976  -9.189   5.807
  960   1HB   HIS 115          2HB       HIS 115  16.557 -10.577   7.842
  961   2HB   HIS 115          1HB       HIS 115  16.090 -11.485   6.411
  962    HD1  HIS 115           1HD      HIS 115  19.541 -10.245   6.242
  963    HD2  HIS 115           2HD      HIS 115  17.587 -13.610   7.704
  964    HE1  HIS 115           1HE      HIS 115  21.334 -11.967   6.578
  965    HE2  HIS 115           2HE      HIS 115  20.146 -13.956   7.567
  966    H    HIS 116           H        HIS 116  18.045  -7.459   5.079
  967    HA   HIS 116           HA       HIS 116  19.229  -6.703   7.665
  968   1HB   HIS 116          2HB       HIS 116  20.165  -6.457   4.852
  969   2HB   HIS 116          1HB       HIS 116  20.585  -5.150   5.952
  970    HD1  HIS 116           1HD      HIS 116  22.307  -7.712   4.622
  971    HD2  HIS 116           2HD      HIS 116  21.402  -6.862   8.588
  972    HE1  HIS 116           1HE      HIS 116  24.044  -8.920   5.982
  973    HE2  HIS 116           2HE      HIS 116  23.463  -8.409   8.381
  Start of MODEL    5
    1   1H    MET   0          1HT       MET   0  -2.062 -29.401  -3.783
    2   2H    MET   0          2HT       MET   0  -2.353 -27.963  -2.893
    3   3H    MET   0          3HT       MET   0  -1.530 -27.892  -4.396
    4    HA   MET   0           HA       MET   0  -3.604 -28.923  -5.359
    5   1HB   MET   0          2HB       MET   0  -4.580 -27.878  -2.692
    6   2HB   MET   0          1HB       MET   0  -5.641 -28.255  -4.042
    7   1HG   MET   0          2HG       MET   0  -3.791 -30.396  -3.224
    8   2HG   MET   0          1HG       MET   0  -5.053 -29.975  -2.069
    9   1HE   MET   0          1HE       MET   0  -8.191 -30.920  -3.235
   10   2HE   MET   0          2HE       MET   0  -7.024 -30.591  -1.955
   11   3HE   MET   0          3HE       MET   0  -7.242 -32.238  -2.547
   12    H    GLU   1           H        GLU   1  -2.662 -26.023  -3.595
   13    HA   GLU   1           HA       GLU   1  -2.671 -23.818  -4.121
   14   1HB   GLU   1          2HB       GLU   1  -2.388 -25.202  -6.654
   15   2HB   GLU   1          1HB       GLU   1  -3.241 -23.679  -6.860
   16   1HG   GLU   1          2HG       GLU   1  -1.307 -22.699  -5.438
   17   2HG   GLU   1          1HG       GLU   1  -0.460 -24.175  -5.898
   18    H    GLU   2           H        GLU   2  -5.171 -25.217  -3.431
   19    HA   GLU   2           HA       GLU   2  -7.094 -23.347  -4.649
   20   1HB   GLU   2          2HB       GLU   2  -7.281 -25.959  -4.994
   21   2HB   GLU   2          1HB       GLU   2  -7.989 -25.906  -3.385
   22   1HG   GLU   2          2HG       GLU   2  -9.862 -24.833  -4.089
   23   2HG   GLU   2          1HG       GLU   2  -9.032 -24.006  -5.406
   24    H    VAL   3           H        VAL   3  -8.678 -22.437  -3.287
   25    HA   VAL   3           HA       VAL   3  -9.493 -21.483  -1.394
   26    HB   VAL   3           HB       VAL   3  -8.247 -23.737   0.177
   27   1HG1  VAL   3          1HG1      VAL   3 -10.355 -21.697   0.678
   28   2HG1  VAL   3          2HG1      VAL   3  -9.096 -22.309   1.748
   29   3HG1  VAL   3          3HG1      VAL   3 -10.528 -23.286   1.424
   30   1HG2  VAL   3          1HG2      VAL   3  -9.430 -25.054  -1.242
   31   2HG2  VAL   3          2HG2      VAL   3 -10.530 -23.756  -1.707
   32   3HG2  VAL   3          3HG2      VAL   3 -10.757 -24.597  -0.173
   33    H    GLU   4           H        GLU   4  -6.545 -21.203  -2.296
   34    HA   GLU   4           HA       GLU   4  -5.332 -20.283   0.198
   35   1HB   GLU   4          2HB       GLU   4  -4.254 -20.606  -2.603
   36   2HB   GLU   4          1HB       GLU   4  -3.339 -19.850  -1.306
   37   1HG   GLU   4          2HG       GLU   4  -4.478 -22.554  -0.838
   38   2HG   GLU   4          1HG       GLU   4  -3.068 -22.397  -1.887
   39    H    GLN   5           H        GLN   5  -7.060 -19.067  -2.488
   40    HA   GLN   5           HA       GLN   5  -5.978 -16.468  -2.671
   41   1HB   GLN   5          2HB       GLN   5  -8.169 -15.904  -3.754
   42   2HB   GLN   5          1HB       GLN   5  -7.329 -17.270  -4.469
   43   1HG   GLN   5          2HG       GLN   5  -9.222 -18.399  -4.299
   44   2HG   GLN   5          1HG       GLN   5  -8.986 -18.406  -2.553
   45   1HE2  GLN   5          1HE2      GLN   5 -10.566 -17.567  -1.370
   46   2HE2  GLN   5          2HE2      GLN   5 -11.782 -16.480  -1.935
   47    H    THR   6           H        THR   6  -8.535 -17.853  -0.669
   48    HA   THR   6           HA       THR   6  -9.505 -15.409   0.364
   49    HB   THR   6           HB       THR   6  -9.838 -17.509   2.291
   50    HG1  THR   6           1HG      THR   6 -10.308 -19.199   1.114
   51   1HG2  THR   6          1HG2      THR   6 -11.574 -15.992   2.147
   52   2HG2  THR   6          2HG2      THR   6 -12.221 -17.419   1.339
   53   3HG2  THR   6          3HG2      THR   6 -11.623 -16.061   0.386
   54    HA   PRO   7           HA       PRO   7  -6.683 -16.398   4.271
   55   1HB   PRO   7          2HB       PRO   7  -4.588 -17.978   2.870
   56   2HB   PRO   7          1HB       PRO   7  -5.239 -18.166   4.501
   57   1HG   PRO   7          2HG       PRO   7  -5.921 -19.860   2.566
   58   2HG   PRO   7          1HG       PRO   7  -7.114 -19.316   3.762
   59   1HD   PRO   7          2HD       PRO   7  -6.750 -18.458   0.924
   60   2HD   PRO   7          1HD       PRO   7  -8.246 -18.709   1.844
   61    H    LEU   8           H        LEU   8  -5.251 -16.173   1.027
   62    HA   LEU   8           HA       LEU   8  -3.068 -14.531   1.773
   63   1HB   LEU   8          2HB       LEU   8  -4.094 -15.705  -0.622
   64   2HB   LEU   8          1HB       LEU   8  -3.768 -14.011  -0.929
   65    HG   LEU   8           HG       LEU   8  -1.556 -15.185   0.496
   66   1HD1  LEU   8          1HD1      LEU   8  -1.763 -16.430  -2.181
   67   2HD1  LEU   8          2HD1      LEU   8  -2.694 -17.162  -0.875
   68   3HD1  LEU   8          3HD1      LEU   8  -0.946 -16.994  -0.723
   69   1HD2  LEU   8          1HD2      LEU   8  -1.292 -14.414  -2.337
   70   2HD2  LEU   8          2HD2      LEU   8  -0.358 -13.911  -0.930
   71   3HD2  LEU   8          3HD2      LEU   8  -1.926 -13.176  -1.256
   72    H    GLN   9           H        GLN   9  -6.295 -13.754   0.446
   73    HA   GLN   9           HA       GLN   9  -5.823 -10.964   0.272
   74   1HB   GLN   9          2HB       GLN   9  -8.211 -10.710  -0.025
   75   2HB   GLN   9          1HB       GLN   9  -7.637 -12.073  -0.971
   76   1HG   GLN   9          2HG       GLN   9  -8.832 -13.574   0.217
   77   2HG   GLN   9          1HG       GLN   9  -8.655 -12.689   1.730
   78   1HE2  GLN   9          1HE2      GLN   9  -9.918 -11.569  -1.385
   79   2HE2  GLN   9          2HE2      GLN   9 -11.499 -11.195  -0.804
   80    H    GLU  10           H        GLU  10  -7.015 -13.037   2.854
   81    HA   GLU  10           HA       GLU  10  -7.938 -11.007   4.582
   82   1HB   GLU  10          2HB       GLU  10  -8.248 -13.581   4.721
   83   2HB   GLU  10          1HB       GLU  10  -6.710 -13.566   5.573
   84   1HG   GLU  10          2HG       GLU  10  -7.572 -12.416   7.383
   85   2HG   GLU  10          1HG       GLU  10  -8.935 -11.783   6.460
   86    H    ALA  11           H        ALA  11  -4.787 -12.630   4.304
   87    HA   ALA  11           HA       ALA  11  -3.490 -11.366   6.437
   88   1HB   ALA  11          1HB       ALA  11  -2.356 -12.399   3.838
   89   2HB   ALA  11          2HB       ALA  11  -2.506 -13.282   5.357
   90   3HB   ALA  11          3HB       ALA  11  -1.391 -11.922   5.235
   91    H    LEU  12           H        LEU  12  -3.736 -10.434   3.015
   92    HA   LEU  12           HA       LEU  12  -2.134  -8.140   3.129
   93   1HB   LEU  12          2HB       LEU  12  -4.180  -9.219   1.300
   94   2HB   LEU  12          1HB       LEU  12  -3.970  -7.480   1.232
   95    HG   LEU  12           HG       LEU  12  -1.454  -8.998   1.156
   96   1HD1  LEU  12          1HD1      LEU  12  -3.322 -10.280  -0.209
   97   2HD1  LEU  12          2HD1      LEU  12  -1.682 -10.090  -0.827
   98   3HD1  LEU  12          3HD1      LEU  12  -2.967  -9.027  -1.399
   99   1HD2  LEU  12          1HD2      LEU  12  -0.746  -7.214  -0.027
  100   2HD2  LEU  12          2HD2      LEU  12  -2.181  -6.450   0.656
  101   3HD2  LEU  12          3HD2      LEU  12  -2.229  -7.116  -0.976
  102    H    ASN  13           H        ASN  13  -5.589  -8.595   3.765
  103    HA   ASN  13           HA       ASN  13  -6.242  -5.866   4.089
  104   1HB   ASN  13          2HB       ASN  13  -7.533  -8.393   5.123
  105   2HB   ASN  13          1HB       ASN  13  -8.205  -6.792   5.423
  106   1HD2  ASN  13          1HD2      ASN  13 -10.068  -7.662   4.281
  107   2HD2  ASN  13          2HD2      ASN  13 -10.094  -7.610   2.555
  108    H    GLN  14           H        GLN  14  -5.113  -8.333   6.367
  109    HA   GLN  14           HA       GLN  14  -5.431  -6.794   8.716
  110   1HB   GLN  14          2HB       GLN  14  -4.054  -9.290   7.962
  111   2HB   GLN  14          1HB       GLN  14  -3.342  -8.436   9.324
  112   1HG   GLN  14          2HG       GLN  14  -5.079  -8.877  10.688
  113   2HG   GLN  14          1HG       GLN  14  -6.269  -8.756   9.392
  114   1HE2  GLN  14          1HE2      GLN  14  -5.939 -10.576   7.688
  115   2HE2  GLN  14          2HE2      GLN  14  -5.791 -12.166   8.347
  116    H    LEU  15           H        LEU  15  -2.742  -7.168   6.445
  117    HA   LEU  15           HA       LEU  15  -0.918  -5.566   7.939
  118   1HB   LEU  15          2HB       LEU  15  -0.886  -6.224   4.992
  119   2HB   LEU  15          1HB       LEU  15   0.460  -5.607   5.928
  120    HG   LEU  15           HG       LEU  15  -0.832  -8.238   6.600
  121   1HD1  LEU  15          1HD1      LEU  15   1.550  -7.893   4.791
  122   2HD1  LEU  15          2HD1      LEU  15  -0.088  -8.188   4.204
  123   3HD1  LEU  15          3HD1      LEU  15   0.717  -9.389   5.214
  124   1HD2  LEU  15          1HD2      LEU  15   0.723  -7.009   8.190
  125   2HD2  LEU  15          2HD2      LEU  15   2.003  -7.337   7.025
  126   3HD2  LEU  15          3HD2      LEU  15   1.149  -8.673   7.795
  127    H    MET  16           H        MET  16  -3.226  -4.936   5.342
  128    HA   MET  16           HA       MET  16  -2.426  -2.296   4.764
  129   1HB   MET  16          2HB       MET  16  -3.951  -3.847   3.410
  130   2HB   MET  16          1HB       MET  16  -5.238  -3.340   4.494
  131   1HG   MET  16          2HG       MET  16  -5.264  -2.067   2.432
  132   2HG   MET  16          1HG       MET  16  -4.928  -1.032   3.816
  133   1HE   MET  16          1HE       MET  16  -1.599  -2.496   0.971
  134   2HE   MET  16          2HE       MET  16  -3.292  -2.930   0.736
  135   3HE   MET  16          3HE       MET  16  -2.422  -3.514   2.154
  136    H    ARG  17           H        ARG  17  -4.950  -3.575   6.939
  137    HA   ARG  17           HA       ARG  17  -5.892  -1.062   7.805
  138   1HB   ARG  17          2HB       ARG  17  -6.927  -2.276   9.673
  139   2HB   ARG  17          1HB       ARG  17  -7.216  -3.071   8.133
  140   1HG   ARG  17          2HG       ARG  17  -6.113  -4.926   8.738
  141   2HG   ARG  17          1HG       ARG  17  -4.857  -4.032   9.591
  142   1HD   ARG  17          2HD       ARG  17  -7.292  -3.707  11.014
  143   2HD   ARG  17          1HD       ARG  17  -7.090  -5.423  10.659
  144    HE   ARG  17           HE       ARG  17  -4.692  -4.257  11.672
  145   1HH1  ARG  17          1HH1      ARG  17  -7.811  -5.519  12.645
  146   2HH1  ARG  17          2HH1      ARG  17  -7.276  -5.954  14.232
  147   1HH2  ARG  17          1HH2      ARG  17  -3.995  -4.830  13.765
  148   2HH2  ARG  17          2HH2      ARG  17  -5.110  -5.565  14.868
  149    H    GLN  18           H        GLN  18  -3.283  -3.136   8.953
  150    HA   GLN  18           HA       GLN  18  -2.744  -1.779  11.361
  151   1HB   GLN  18          2HB       GLN  18  -1.840  -4.046  10.559
  152   2HB   GLN  18          1HB       GLN  18  -0.640  -3.117   9.671
  153   1HG   GLN  18          2HG       GLN  18  -0.002  -2.049  11.852
  154   2HG   GLN  18          1HG       GLN  18  -1.046  -3.226  12.647
  155   1HE2  GLN  18          1HE2      GLN  18   1.701  -2.953  10.444
  156   2HE2  GLN  18          2HE2      GLN  18   2.478  -4.412  10.946
  157    H    LEU  19           H        LEU  19  -1.566  -1.319   8.052
  158    HA   LEU  19           HA       LEU  19   0.302   0.723   8.629
  159   1HB   LEU  19          2HB       LEU  19  -1.030  -0.347   6.210
  160   2HB   LEU  19          1HB       LEU  19  -0.430   1.295   6.091
  161    HG   LEU  19           HG       LEU  19   1.521  -0.581   7.216
  162   1HD1  LEU  19          1HD1      LEU  19   0.281  -2.021   5.582
  163   2HD1  LEU  19          2HD1      LEU  19   1.994  -1.794   5.228
  164   3HD1  LEU  19          3HD1      LEU  19   0.778  -0.899   4.317
  165   1HD2  LEU  19          1HD2      LEU  19   1.476   1.527   5.073
  166   2HD2  LEU  19          2HD2      LEU  19   2.891   0.522   5.380
  167   3HD2  LEU  19          3HD2      LEU  19   2.268   1.577   6.647
  168    H    GLN  20           H        GLN  20  -3.131   0.784   7.746
  169    HA   GLN  20           HA       GLN  20  -3.425   3.557   7.464
  170   1HB   GLN  20          2HB       GLN  20  -5.104   1.311   7.371
  171   2HB   GLN  20          1HB       GLN  20  -5.786   2.344   8.619
  172   1HG   GLN  20          2HG       GLN  20  -5.099   3.962   6.382
  173   2HG   GLN  20          1HG       GLN  20  -6.024   2.572   5.815
  174   1HE2  GLN  20          1HE2      GLN  20  -6.099   5.541   7.529
  175   2HE2  GLN  20          2HE2      GLN  20  -7.794   5.560   7.857
  176    H    ARG  21           H        ARG  21  -3.646   1.492  10.326
  177    HA   ARG  21           HA       ARG  21  -4.533   3.512  12.107
  178   1HB   ARG  21          2HB       ARG  21  -3.270   0.812  12.487
  179   2HB   ARG  21          1HB       ARG  21  -3.594   1.860  13.860
  180   1HG   ARG  21          2HG       ARG  21  -5.795   1.454  13.812
  181   2HG   ARG  21          1HG       ARG  21  -5.869   1.502  12.050
  182   1HD   ARG  21          2HD       ARG  21  -4.645  -0.776  12.176
  183   2HD   ARG  21          1HD       ARG  21  -5.191  -0.794  13.851
  184    HE   ARG  21           HE       ARG  21  -6.794  -1.181  11.493
  185   1HH1  ARG  21          1HH1      ARG  21  -6.844  -0.253  14.871
  186   2HH1  ARG  21          2HH1      ARG  21  -8.513  -0.657  15.085
  187   1HH2  ARG  21          1HH2      ARG  21  -8.996  -1.708  11.781
  188   2HH2  ARG  21          2HH2      ARG  21  -9.735  -1.485  13.332
  189    H    LYS  22           H        LYS  22  -1.451   2.894  10.731
  190    HA   LYS  22           HA       LYS  22   0.363   3.579  12.666
  191   1HB   LYS  22          2HB       LYS  22   0.822   2.909  10.272
  192   2HB   LYS  22          1HB       LYS  22   0.507   4.575   9.817
  193   1HG   LYS  22          2HG       LYS  22   2.470   5.336  10.704
  194   2HG   LYS  22          1HG       LYS  22   2.535   4.068  11.930
  195   1HD   LYS  22          2HD       LYS  22   2.746   3.236   9.090
  196   2HD   LYS  22          1HD       LYS  22   4.132   4.074   9.792
  197   1HE   LYS  22          2HE       LYS  22   2.956   1.922  11.435
  198   2HE   LYS  22          1HE       LYS  22   3.735   1.405   9.941
  199   1HZ   LYS  22          1HZ       LYS  22   4.909   2.632  12.324
  200   2HZ   LYS  22          2HZ       LYS  22   5.610   3.001  10.829
  201   3HZ   LYS  22          3HZ       LYS  22   5.509   1.393  11.338
  202    H    ASP  23           H        ASP  23  -0.673   6.021  10.269
  203    HA   ASP  23           HA       ASP  23  -1.731   7.957  11.833
  204   1HB   ASP  23          2HB       ASP  23   1.067   7.670  12.460
  205   2HB   ASP  23          1HB       ASP  23   0.755   9.271  11.806
  206    HA   PRO  24           HA       PRO  24   0.347  10.256   8.093
  207   1HB   PRO  24          2HB       PRO  24   2.031   8.707   6.584
  208   2HB   PRO  24          1HB       PRO  24   2.564   9.767   7.894
  209   1HG   PRO  24          2HG       PRO  24   2.065   6.817   7.931
  210   2HG   PRO  24          1HG       PRO  24   3.397   7.734   8.658
  211   1HD   PRO  24          2HD       PRO  24   1.334   6.838  10.106
  212   2HD   PRO  24          1HD       PRO  24   2.105   8.393  10.466
  213    H    SER  25           H        SER  25  -0.553   6.872   7.908
  214    HA   SER  25           HA       SER  25  -1.296   6.752   5.201
  215   1HB   SER  25          2HB       SER  25  -2.384   5.200   7.560
  216   2HB   SER  25          1HB       SER  25  -2.697   4.811   5.870
  217    HG   SER  25           HG       SER  25  -0.977   3.580   6.553
  218    H    ALA  26           H        ALA  26  -2.876   8.206   7.928
  219    HA   ALA  26           HA       ALA  26  -5.542   8.164   7.206
  220   1HB   ALA  26          1HB       ALA  26  -3.845  10.039   8.754
  221   2HB   ALA  26          2HB       ALA  26  -5.258   9.113   9.255
  222   3HB   ALA  26          3HB       ALA  26  -5.459  10.576   8.290
  223    H    PHE  27           H        PHE  27  -2.934  10.022   5.793
  224    HA   PHE  27           HA       PHE  27  -4.592  11.900   4.422
  225   1HB   PHE  27          2HB       PHE  27  -1.776  11.117   3.659
  226   2HB   PHE  27          1HB       PHE  27  -2.602  12.629   3.311
  227    HD1  PHE  27           2HD      PHE  27  -3.745  13.327   5.924
  228    HD2  PHE  27           1HD      PHE  27   0.058  11.689   4.935
  229    HE1  PHE  27           2HE      PHE  27  -2.794  14.307   7.970
  230    HE2  PHE  27           1HE      PHE  27   1.013  12.666   6.981
  231    HZ   PHE  27           HZ       PHE  27  -0.412  13.978   8.500
  232    H    PHE  28           H        PHE  28  -2.866   8.953   3.381
  233    HA   PHE  28           HA       PHE  28  -4.343   9.038   0.844
  234   1HB   PHE  28          2HB       PHE  28  -2.127   7.108   1.504
  235   2HB   PHE  28          1HB       PHE  28  -2.687   7.631  -0.079
  236    HD1  PHE  28           2HD      PHE  28  -2.637  10.449  -0.085
  237    HD2  PHE  28           1HD      PHE  28   0.024   7.781   1.892
  238    HE1  PHE  28           2HE      PHE  28  -0.881  12.169  -0.132
  239    HE2  PHE  28           1HE      PHE  28   1.785   9.496   1.848
  240    HZ   PHE  28           HZ       PHE  28   1.334  11.695   0.834
  241    H    SER  29           H        SER  29  -5.605   8.254   3.363
  242    HA   SER  29           HA       SER  29  -5.910   5.396   3.331
  243   1HB   SER  29          2HB       SER  29  -6.173   6.323   5.467
  244   2HB   SER  29          1HB       SER  29  -7.173   7.646   4.873
  245    HG   SER  29           HG       SER  29  -8.000   4.932   4.823
  246    H    PHE  30           H        PHE  30  -7.396   8.032   1.689
  247    HA   PHE  30           HA       PHE  30  -9.489   6.227   0.691
  248   1HB   PHE  30          2HB       PHE  30 -10.618   8.648   0.298
  249   2HB   PHE  30          1HB       PHE  30 -10.898   7.669   1.730
  250    HD1  PHE  30           2HD      PHE  30  -8.365  10.141   0.517
  251    HD2  PHE  30           1HD      PHE  30 -10.809   8.786   3.728
  252    HE1  PHE  30           2HE      PHE  30  -7.535  11.982   1.922
  253    HE2  PHE  30           1HE      PHE  30  -9.986  10.628   5.136
  254    HZ   PHE  30           HZ       PHE  30  -8.347  12.230   4.234
  255    HA   PRO  31           HA       PRO  31  -8.049   6.824  -3.432
  256   1HB   PRO  31          2HB       PRO  31 -10.867   7.478  -4.146
  257   2HB   PRO  31          1HB       PRO  31  -9.773   6.281  -4.850
  258   1HG   PRO  31          2HG       PRO  31 -11.741   5.529  -3.223
  259   2HG   PRO  31          1HG       PRO  31 -10.154   4.740  -3.165
  260   1HD   PRO  31          2HD       PRO  31 -11.350   6.731  -1.289
  261   2HD   PRO  31          1HD       PRO  31 -10.279   5.356  -0.953
  262    H    VAL  32           H        VAL  32  -6.897   8.601  -3.860
  263    HA   VAL  32           HA       VAL  32  -7.609  11.213  -3.219
  264    HB   VAL  32           HB       VAL  32  -5.856  11.903  -4.915
  265   1HG1  VAL  32          1HG1      VAL  32  -4.019  11.097  -3.506
  266   2HG1  VAL  32          2HG1      VAL  32  -5.120   9.950  -2.742
  267   3HG1  VAL  32          3HG1      VAL  32  -5.380  11.684  -2.551
  268   1HG2  VAL  32          1HG2      VAL  32  -4.595   9.368  -5.090
  269   2HG2  VAL  32          2HG2      VAL  32  -5.139  10.427  -6.391
  270   3HG2  VAL  32          3HG2      VAL  32  -6.237   9.227  -5.715
  271    H    THR  33           H        THR  33  -7.855  13.044  -4.720
  272    HA   THR  33           HA       THR  33  -8.949  12.625  -7.323
  273    HB   THR  33           HB       THR  33 -11.153  13.899  -6.373
  274    HG1  THR  33           1HG      THR  33 -11.556  13.427  -4.378
  275   1HG2  THR  33          1HG2      THR  33 -11.310  10.972  -6.114
  276   2HG2  THR  33          2HG2      THR  33 -10.780  11.608  -7.673
  277   3HG2  THR  33          3HG2      THR  33 -12.337  12.096  -7.000
  278    H    ASP  34           H        ASP  34 -10.371  14.954  -7.667
  279    HA   ASP  34           HA       ASP  34  -8.295  16.896  -7.721
  280   1HB   ASP  34          2HB       ASP  34 -10.609  16.485  -9.137
  281   2HB   ASP  34          1HB       ASP  34 -11.034  17.872  -8.143
  282    H    PHE  35           H        PHE  35 -10.223  15.930  -5.192
  283    HA   PHE  35           HA       PHE  35 -10.035  18.567  -3.891
  284   1HB   PHE  35          2HB       PHE  35 -12.357  18.195  -4.172
  285   2HB   PHE  35          1HB       PHE  35 -12.213  16.487  -3.780
  286    HD1  PHE  35           2HD      PHE  35 -11.844  15.795  -1.415
  287    HD2  PHE  35           1HD      PHE  35 -12.692  19.824  -2.496
  288    HE1  PHE  35           2HE      PHE  35 -12.463  16.284   0.914
  289    HE2  PHE  35           1HE      PHE  35 -13.312  20.320  -0.169
  290    HZ   PHE  35           HZ       PHE  35 -13.200  18.549   1.541
  291    H    ILE  36           H        ILE  36  -9.961  15.057  -3.519
  292    HA   ILE  36           HA       ILE  36  -9.089  15.074  -0.813
  293    HB   ILE  36           HB       ILE  36  -9.090  12.944  -2.948
  294   1HG1  ILE  36          2HG1      ILE  36 -10.741  13.251  -0.431
  295   2HG1  ILE  36          1HG1      ILE  36 -11.279  13.721  -2.039
  296   1HG2  ILE  36          1HG2      ILE  36  -8.599  11.347  -1.129
  297   2HG2  ILE  36          2HG2      ILE  36  -8.278  12.714  -0.063
  298   3HG2  ILE  36          3HG2      ILE  36  -7.266  12.445  -1.481
  299   1HD1  ILE  36          1HD1      ILE  36 -12.199  11.575  -1.403
  300   2HD1  ILE  36          2HD1      ILE  36 -10.575  10.934  -1.154
  301   3HD1  ILE  36          3HD1      ILE  36 -11.102  11.399  -2.772
  302    H    ALA  37           H        ALA  37  -7.480  15.014  -3.944
  303    HA   ALA  37           HA       ALA  37  -4.856  14.980  -2.602
  304   1HB   ALA  37          1HB       ALA  37  -5.805  14.007  -5.244
  305   2HB   ALA  37          2HB       ALA  37  -4.669  13.278  -4.108
  306   3HB   ALA  37          3HB       ALA  37  -4.156  14.618  -5.129
  307    HA   PRO  38           HA       PRO  38  -4.208  19.149  -3.846
  308   1HB   PRO  38          2HB       PRO  38  -1.370  18.853  -4.134
  309   2HB   PRO  38          1HB       PRO  38  -2.259  19.547  -2.779
  310   1HG   PRO  38          2HG       PRO  38  -0.858  17.167  -2.704
  311   2HG   PRO  38          1HG       PRO  38  -2.142  17.626  -1.579
  312   1HD   PRO  38          2HD       PRO  38  -2.238  15.782  -3.914
  313   2HD   PRO  38          1HD       PRO  38  -3.116  15.708  -2.376
  314    H    GLY  39           H        GLY  39  -3.787  16.726  -5.930
  315   1HA   GLY  39          2HA       GLY  39  -4.350  17.675  -8.273
  316   2HA   GLY  39          1HA       GLY  39  -2.751  18.383  -8.115
  317    H    TYR  40           H        TYR  40  -3.729  15.178  -6.996
  318    HA   TYR  40           HA       TYR  40  -1.506  13.889  -8.147
  319   1HB   TYR  40          2HB       TYR  40  -4.082  12.930  -6.952
  320   2HB   TYR  40          1HB       TYR  40  -3.040  11.788  -7.793
  321    HD1  TYR  40           1HD      TYR  40  -2.147  14.661  -5.596
  322    HD2  TYR  40           2HD      TYR  40  -2.108  10.436  -6.124
  323    HE1  TYR  40           1HE      TYR  40  -0.794  14.425  -3.561
  324    HE2  TYR  40           2HE      TYR  40  -0.759  10.192  -4.088
  325    HH   TYR  40           HH       TYR  40  -0.208  12.812  -1.912
  326    H    SER  41           H        SER  41  -4.779  14.434  -9.343
  327    HA   SER  41           HA       SER  41  -4.690  12.657 -11.514
  328   1HB   SER  41          2HB       SER  41  -6.324  15.038 -10.800
  329   2HB   SER  41          1HB       SER  41  -6.344  14.528 -12.488
  330    HG   SER  41           HG       SER  41  -7.023  12.974 -10.210
  331    H    MET  42           H        MET  42  -3.199  15.765 -11.067
  332    HA   MET  42           HA       MET  42  -2.786  16.314 -13.846
  333   1HB   MET  42          2HB       MET  42  -2.041  17.569 -11.276
  334   2HB   MET  42          1HB       MET  42  -0.961  17.886 -12.627
  335   1HG   MET  42          2HG       MET  42  -3.931  18.373 -12.632
  336   2HG   MET  42          1HG       MET  42  -2.695  19.602 -12.362
  337   1HE   MET  42          1HE       MET  42  -0.588  19.836 -14.709
  338   2HE   MET  42          2HE       MET  42  -1.710  20.900 -13.861
  339   3HE   MET  42          3HE       MET  42  -1.729  20.822 -15.621
  340    H    ILE  43           H        ILE  43  -0.749  14.929 -11.265
  341    HA   ILE  43           HA       ILE  43   1.248  14.294 -13.344
  342    HB   ILE  43           HB       ILE  43   1.799  15.911 -11.354
  343   1HG1  ILE  43          2HG1      ILE  43   3.776  13.725 -11.974
  344   2HG1  ILE  43          1HG1      ILE  43   3.303  14.924 -13.172
  345   1HG2  ILE  43          1HG2      ILE  43   2.816  14.803  -9.445
  346   2HG2  ILE  43          2HG2      ILE  43   2.336  13.232 -10.083
  347   3HG2  ILE  43          3HG2      ILE  43   1.106  14.390  -9.572
  348   1HD1  ILE  43          1HD1      ILE  43   5.283  15.122 -11.174
  349   2HD1  ILE  43          2HD1      ILE  43   4.014  16.281 -10.783
  350   3HD1  ILE  43          3HD1      ILE  43   4.796  16.331 -12.363
  351    H    ILE  44           H        ILE  44  -0.314  13.067 -10.414
  352    HA   ILE  44           HA       ILE  44   0.848  10.427 -10.841
  353    HB   ILE  44           HB       ILE  44  -0.801  11.578  -8.589
  354   1HG1  ILE  44          2HG1      ILE  44   1.390  12.381  -8.392
  355   2HG1  ILE  44          1HG1      ILE  44   1.360  10.979  -7.330
  356   1HG2  ILE  44          1HG2      ILE  44   0.151   8.765  -9.023
  357   2HG2  ILE  44          2HG2      ILE  44  -1.483   9.327  -8.679
  358   3HG2  ILE  44          3HG2      ILE  44  -0.244   9.398  -7.426
  359   1HD1  ILE  44          1HD1      ILE  44   2.320   9.685  -9.308
  360   2HD1  ILE  44          2HD1      ILE  44   3.380  10.822  -8.479
  361   3HD1  ILE  44          3HD1      ILE  44   2.647  11.265 -10.019
  362    H    LYS  45           H        LYS  45  -0.241   9.772 -12.701
  363    HA   LYS  45           HA       LYS  45  -2.962   9.916 -13.221
  364   1HB   LYS  45          2HB       LYS  45  -0.720   8.245 -14.196
  365   2HB   LYS  45          1HB       LYS  45  -2.336   7.630 -14.505
  366   1HG   LYS  45          2HG       LYS  45  -2.307  10.385 -15.188
  367   2HG   LYS  45          1HG       LYS  45  -0.894   9.620 -15.918
  368   1HD   LYS  45          2HD       LYS  45  -2.713   7.771 -16.533
  369   2HD   LYS  45          1HD       LYS  45  -3.783   9.170 -16.431
  370   1HE   LYS  45          2HE       LYS  45  -2.408  10.358 -18.054
  371   2HE   LYS  45          1HE       LYS  45  -1.294   8.993 -18.129
  372   1HZ   LYS  45          1HZ       LYS  45  -2.758   8.882 -19.990
  373   2HZ   LYS  45          2HZ       LYS  45  -4.129   9.036 -19.013
  374   3HZ   LYS  45          3HZ       LYS  45  -3.189   7.632 -18.934
  375    H    HIS  46           H        HIS  46  -1.289   6.931 -12.140
  376    HA   HIS  46           HA       HIS  46  -3.823   6.124 -10.874
  377   1HB   HIS  46          2HB       HIS  46  -2.015   4.724 -12.645
  378   2HB   HIS  46          1HB       HIS  46  -2.215   3.842 -11.135
  379    HD1  HIS  46           1HD      HIS  46  -5.053   3.955 -10.470
  380    HD2  HIS  46           2HD      HIS  46  -3.793   3.770 -14.424
  381    HE1  HIS  46           1HE      HIS  46  -7.019   3.067 -11.759
  382    HE2  HIS  46           2HE      HIS  46  -6.199   2.870 -14.134
  383    HA   PRO  47           HA       PRO  47  -1.030   6.535  -7.285
  384   1HB   PRO  47          2HB       PRO  47  -2.875   7.502  -5.584
  385   2HB   PRO  47          1HB       PRO  47  -2.047   8.528  -6.756
  386   1HG   PRO  47          2HG       PRO  47  -4.804   7.414  -6.823
  387   2HG   PRO  47          1HG       PRO  47  -4.203   8.969  -7.419
  388   1HD   PRO  47          2HD       PRO  47  -4.718   6.730  -8.986
  389   2HD   PRO  47          1HD       PRO  47  -3.713   8.110  -9.459
  390    H    MET  48           H        MET  48  -4.351   5.311  -7.237
  391    HA   MET  48           HA       MET  48  -5.352   3.579  -6.157
  392   1HB   MET  48          2HB       MET  48  -2.603   2.322  -6.254
  393   2HB   MET  48          1HB       MET  48  -4.144   1.483  -6.133
  394   1HG   MET  48          2HG       MET  48  -3.838   3.256  -8.465
  395   2HG   MET  48          1HG       MET  48  -2.789   1.840  -8.434
  396   1HE   MET  48          1HE       MET  48  -7.386   1.586  -8.146
  397   2HE   MET  48          2HE       MET  48  -6.429   3.037  -7.855
  398   3HE   MET  48          3HE       MET  48  -6.381   1.703  -6.702
  399    H    ASP  49           H        ASP  49  -5.662   4.898  -4.283
  400    HA   ASP  49           HA       ASP  49  -3.846   5.011  -2.127
  401   1HB   ASP  49          2HB       ASP  49  -6.803   5.535  -2.361
  402   2HB   ASP  49          1HB       ASP  49  -5.958   5.676  -0.822
  403    H    PHE  50           H        PHE  50  -4.525   4.234   0.128
  404    HA   PHE  50           HA       PHE  50  -4.377   1.438   0.173
  405   1HB   PHE  50          2HB       PHE  50  -5.298   3.145   2.491
  406   2HB   PHE  50          1HB       PHE  50  -4.488   1.581   2.554
  407    HD1  PHE  50           2HD      PHE  50  -2.293   1.890   0.684
  408    HD2  PHE  50           1HD      PHE  50  -3.868   4.670   3.496
  409    HE1  PHE  50           2HE      PHE  50  -0.119   3.032   0.765
  410    HE2  PHE  50           1HE      PHE  50  -1.695   5.818   3.579
  411    HZ   PHE  50           HZ       PHE  50   0.182   4.999   2.212
  412    H    SER  51           H        SER  51  -7.172   3.576   0.326
  413    HA   SER  51           HA       SER  51  -9.004   1.545   1.168
  414   1HB   SER  51          2HB       SER  51  -9.868   3.629   1.646
  415   2HB   SER  51          1HB       SER  51  -9.252   4.345   0.160
  416    HG   SER  51           HG       SER  51 -11.562   2.774   0.552
  417    H    THR  52           H        THR  52  -8.067   2.898  -1.977
  418    HA   THR  52           HA       THR  52  -9.974   1.489  -3.511
  419    HB   THR  52           HB       THR  52  -7.355   2.108  -4.764
  420    HG1  THR  52           1HG      THR  52  -7.718   4.326  -4.653
  421   1HG2  THR  52          1HG2      THR  52 -10.136   2.027  -5.528
  422   2HG2  THR  52          2HG2      THR  52  -8.686   2.003  -6.528
  423   3HG2  THR  52          3HG2      THR  52  -9.370   3.541  -6.005
  424    H    MET  53           H        MET  53  -6.595   0.759  -2.681
  425    HA   MET  53           HA       MET  53  -6.511  -1.674  -4.145
  426   1HB   MET  53          2HB       MET  53  -4.413  -2.104  -3.006
  427   2HB   MET  53          1HB       MET  53  -4.479  -0.431  -3.536
  428   1HG   MET  53          2HG       MET  53  -5.105   0.229  -1.238
  429   2HG   MET  53          1HG       MET  53  -4.908  -1.449  -0.737
  430   1HE   MET  53          1HE       MET  53  -2.890  -2.763  -1.487
  431   2HE   MET  53          2HE       MET  53  -1.276  -2.216  -1.036
  432   3HE   MET  53          3HE       MET  53  -1.859  -1.981  -2.684
  433    H    LYS  54           H        LYS  54  -7.185  -0.914  -0.738
  434    HA   LYS  54           HA       LYS  54  -7.288  -3.539   0.235
  435   1HB   LYS  54          2HB       LYS  54  -7.302  -1.427   1.605
  436   2HB   LYS  54          1HB       LYS  54  -9.000  -1.238   1.188
  437   1HG   LYS  54          2HG       LYS  54  -9.142  -3.693   2.154
  438   2HG   LYS  54          1HG       LYS  54  -7.691  -3.177   3.015
  439   1HD   LYS  54          2HD       LYS  54  -9.089  -2.295   4.520
  440   2HD   LYS  54          1HD       LYS  54  -9.387  -1.032   3.323
  441   1HE   LYS  54          2HE       LYS  54 -11.427  -1.858   2.755
  442   2HE   LYS  54          1HE       LYS  54 -10.953  -3.531   3.057
  443   1HZ   LYS  54          1HZ       LYS  54 -12.521  -2.921   4.706
  444   2HZ   LYS  54          2HZ       LYS  54 -11.705  -1.483   5.067
  445   3HZ   LYS  54          3HZ       LYS  54 -11.013  -2.972   5.473
  446    H    GLU  55           H        GLU  55  -9.844  -1.514  -1.184
  447    HA   GLU  55           HA       GLU  55 -11.941  -3.386  -0.848
  448   1HB   GLU  55          2HB       GLU  55 -11.965  -0.832  -1.504
  449   2HB   GLU  55          1HB       GLU  55 -11.921  -1.466  -3.143
  450   1HG   GLU  55          2HG       GLU  55 -13.919  -2.756  -1.457
  451   2HG   GLU  55          1HG       GLU  55 -14.170  -1.023  -1.651
  452    H    LYS  56           H        LYS  56  -9.549  -2.866  -3.374
  453    HA   LYS  56           HA       LYS  56 -10.678  -4.637  -5.281
  454   1HB   LYS  56          2HB       LYS  56  -8.005  -3.341  -4.915
  455   2HB   LYS  56          1HB       LYS  56  -8.174  -4.643  -6.085
  456   1HG   LYS  56          2HG       LYS  56 -10.243  -3.162  -6.851
  457   2HG   LYS  56          1HG       LYS  56  -9.253  -1.887  -6.137
  458   1HD   LYS  56          2HD       LYS  56  -7.731  -1.977  -7.791
  459   2HD   LYS  56          1HD       LYS  56  -7.771  -3.741  -7.860
  460   1HE   LYS  56          2HE       LYS  56  -8.684  -3.260  -9.895
  461   2HE   LYS  56          1HE       LYS  56 -10.149  -3.295  -8.916
  462   1HZ   LYS  56          1HZ       LYS  56  -9.883  -0.837  -8.672
  463   2HZ   LYS  56          2HZ       LYS  56 -10.230  -1.355 -10.244
  464   3HZ   LYS  56          3HZ       LYS  56  -8.652  -0.906  -9.832
  465    H    ILE  57           H        ILE  57  -8.227  -5.040  -2.734
  466    HA   ILE  57           HA       ILE  57  -7.440  -7.653  -3.381
  467    HB   ILE  57           HB       ILE  57  -7.582  -6.475  -0.599
  468   1HG1  ILE  57          2HG1      ILE  57  -5.014  -6.587  -2.078
  469   2HG1  ILE  57          1HG1      ILE  57  -6.171  -5.385  -2.639
  470   1HG2  ILE  57          1HG2      ILE  57  -6.473  -8.962  -1.740
  471   2HG2  ILE  57          2HG2      ILE  57  -7.103  -8.634  -0.126
  472   3HG2  ILE  57          3HG2      ILE  57  -5.471  -8.124  -0.554
  473   1HD1  ILE  57          1HD1      ILE  57  -6.090  -5.184   0.167
  474   2HD1  ILE  57          2HD1      ILE  57  -5.487  -4.036  -1.028
  475   3HD1  ILE  57          3HD1      ILE  57  -4.423  -5.291  -0.393
  476    H    LYS  58           H        LYS  58 -10.121  -6.464  -1.396
  477    HA   LYS  58           HA       LYS  58 -10.968  -8.915  -0.340
  478   1HB   LYS  58          2HB       LYS  58 -11.731  -6.542   0.258
  479   2HB   LYS  58          1HB       LYS  58 -12.845  -6.684  -1.095
  480   1HG   LYS  58          2HG       LYS  58 -14.081  -8.366  -0.060
  481   2HG   LYS  58          1HG       LYS  58 -12.791  -8.739   1.086
  482   1HD   LYS  58          2HD       LYS  58 -13.997  -7.491   2.515
  483   2HD   LYS  58          1HD       LYS  58 -13.287  -6.122   1.660
  484   1HE   LYS  58          2HE       LYS  58 -15.372  -6.602   0.051
  485   2HE   LYS  58          1HE       LYS  58 -16.040  -7.210   1.565
  486   1HZ   LYS  58          1HZ       LYS  58 -15.299  -5.001   2.538
  487   2HZ   LYS  58          2HZ       LYS  58 -16.627  -4.964   1.493
  488   3HZ   LYS  58          3HZ       LYS  58 -15.106  -4.474   0.941
  489    H    ASN  59           H        ASN  59 -11.349  -7.563  -3.533
  490    HA   ASN  59           HA       ASN  59 -13.325  -9.593  -4.271
  491   1HB   ASN  59          2HB       ASN  59 -12.367  -7.033  -5.479
  492   2HB   ASN  59          1HB       ASN  59 -13.027  -8.266  -6.547
  493   1HD2  ASN  59          1HD2      ASN  59 -13.763  -5.673  -4.579
  494   2HD2  ASN  59          2HD2      ASN  59 -15.468  -5.915  -4.450
  495    H    ASN  60           H        ASN  60 -10.360 -10.067  -3.716
  496    HA   ASN  60           HA       ASN  60  -8.683 -11.367  -4.484
  497   1HB   ASN  60          2HB       ASN  60 -11.082 -12.470  -5.578
  498   2HB   ASN  60          1HB       ASN  60  -9.800 -12.621  -6.775
  499   1HD2  ASN  60          1HD2      ASN  60 -10.123 -12.935  -3.250
  500   2HD2  ASN  60          2HD2      ASN  60  -9.277 -14.434  -3.137
  501    H    ASP  61           H        ASP  61  -9.242  -8.658  -5.701
  502    HA   ASP  61           HA       ASP  61  -8.288  -8.796  -8.403
  503   1HB   ASP  61          2HB       ASP  61  -9.597  -6.887  -6.972
  504   2HB   ASP  61          1HB       ASP  61  -7.951  -6.266  -6.910
  505    H    TYR  62           H        TYR  62  -6.895  -8.237  -5.228
  506    HA   TYR  62           HA       TYR  62  -4.205  -8.319  -6.422
  507   1HB   TYR  62          2HB       TYR  62  -5.142  -6.824  -3.963
  508   2HB   TYR  62          1HB       TYR  62  -3.454  -6.993  -4.435
  509    HD1  TYR  62           1HD      TYR  62  -3.053  -6.309  -7.029
  510    HD2  TYR  62           2HD      TYR  62  -6.161  -4.843  -4.518
  511    HE1  TYR  62           1HE      TYR  62  -3.264  -4.320  -8.458
  512    HE2  TYR  62           2HE      TYR  62  -6.378  -2.852  -5.941
  513    HH   TYR  62           HH       TYR  62  -5.729  -2.461  -8.659
  514    H    GLN  63           H        GLN  63  -3.487 -10.327  -6.113
  515    HA   GLN  63           HA       GLN  63  -3.443 -11.390  -3.398
  516   1HB   GLN  63          2HB       GLN  63  -4.202 -13.563  -4.057
  517   2HB   GLN  63          1HB       GLN  63  -5.383 -12.395  -4.634
  518   1HG   GLN  63          2HG       GLN  63  -4.694 -12.632  -6.861
  519   2HG   GLN  63          1HG       GLN  63  -3.193 -13.431  -6.397
  520   1HE2  GLN  63          1HE2      GLN  63  -6.085 -13.972  -7.762
  521   2HE2  GLN  63          2HE2      GLN  63  -6.318 -15.631  -7.346
  522    H    SER  64           H        SER  64  -1.627 -10.209  -5.549
  523    HA   SER  64           HA       SER  64   0.443 -12.282  -5.408
  524   1HB   SER  64          2HB       SER  64   0.626 -10.315  -7.619
  525   2HB   SER  64          1HB       SER  64   0.989 -12.039  -7.614
  526    HG   SER  64           HG       SER  64  -1.268 -12.430  -7.710
  527    H    ILE  65           H        ILE  65   2.274 -11.638  -4.506
  528    HA   ILE  65           HA       ILE  65   2.525  -9.305  -3.061
  529    HB   ILE  65           HB       ILE  65   5.033  -9.795  -3.127
  530   1HG1  ILE  65          2HG1      ILE  65   4.146 -12.406  -4.338
  531   2HG1  ILE  65          1HG1      ILE  65   4.822 -11.104  -5.312
  532   1HG2  ILE  65          1HG2      ILE  65   3.446 -10.484  -1.347
  533   2HG2  ILE  65          2HG2      ILE  65   4.817 -11.578  -1.546
  534   3HG2  ILE  65          3HG2      ILE  65   3.236 -12.018  -2.194
  535   1HD1  ILE  65          1HD1      ILE  65   6.905 -11.238  -4.176
  536   2HD1  ILE  65          2HD1      ILE  65   6.440 -12.875  -4.638
  537   3HD1  ILE  65          3HD1      ILE  65   6.240 -12.340  -2.970
  538    H    GLU  66           H        GLU  66   3.524  -9.980  -6.379
  539    HA   GLU  66           HA       GLU  66   4.964  -7.552  -6.756
  540   1HB   GLU  66          2HB       GLU  66   3.935  -9.731  -8.508
  541   2HB   GLU  66          1HB       GLU  66   4.323  -8.193  -9.267
  542   1HG   GLU  66          2HG       GLU  66   6.303  -9.332  -9.475
  543   2HG   GLU  66          1HG       GLU  66   6.568  -8.420  -7.990
  544    H    GLU  67           H        GLU  67   1.619  -8.550  -7.367
  545    HA   GLU  67           HA       GLU  67   0.838  -6.174  -8.709
  546   1HB   GLU  67          2HB       GLU  67  -0.596  -8.470  -7.436
  547   2HB   GLU  67          1HB       GLU  67  -1.510  -7.045  -7.913
  548   1HG   GLU  67          2HG       GLU  67   0.320  -8.373  -9.865
  549   2HG   GLU  67          1HG       GLU  67  -1.277  -9.046  -9.545
  550    H    LEU  68           H        LEU  68   0.418  -7.274  -5.345
  551    HA   LEU  68           HA       LEU  68  -0.904  -4.906  -4.496
  552   1HB   LEU  68          2HB       LEU  68  -0.479  -5.729  -2.205
  553   2HB   LEU  68          1HB       LEU  68  -1.236  -6.917  -3.247
  554    HG   LEU  68           HG       LEU  68   1.358  -7.612  -3.564
  555   1HD1  LEU  68          1HD1      LEU  68   2.547  -6.358  -2.105
  556   2HD1  LEU  68          2HD1      LEU  68   2.046  -7.626  -0.989
  557   3HD1  LEU  68          3HD1      LEU  68   1.170  -6.096  -1.033
  558   1HD2  LEU  68          1HD2      LEU  68   0.311  -8.805  -1.144
  559   2HD2  LEU  68          2HD2      LEU  68   0.581  -9.524  -2.730
  560   3HD2  LEU  68          3HD2      LEU  68  -0.924  -8.672  -2.395
  561    H    LYS  69           H        LYS  69   2.477  -5.959  -4.387
  562    HA   LYS  69           HA       LYS  69   3.409  -3.766  -2.854
  563   1HB   LYS  69          2HB       LYS  69   4.634  -5.923  -3.170
  564   2HB   LYS  69          1HB       LYS  69   4.992  -5.430  -4.819
  565   1HG   LYS  69          2HG       LYS  69   6.565  -3.932  -4.177
  566   2HG   LYS  69          1HG       LYS  69   5.740  -3.541  -2.667
  567   1HD   LYS  69          2HD       LYS  69   7.333  -4.771  -1.684
  568   2HD   LYS  69          1HD       LYS  69   6.440  -6.165  -2.294
  569   1HE   LYS  69          2HE       LYS  69   7.843  -5.857  -4.430
  570   2HE   LYS  69          1HE       LYS  69   8.884  -4.845  -3.429
  571   1HZ   LYS  69          1HZ       LYS  69   9.890  -6.801  -3.028
  572   2HZ   LYS  69          2HZ       LYS  69   8.528  -7.727  -3.415
  573   3HZ   LYS  69          3HZ       LYS  69   8.656  -7.007  -1.889
  574    H    ASP  70           H        ASP  70   3.199  -4.340  -6.352
  575    HA   ASP  70           HA       ASP  70   4.549  -2.032  -7.197
  576   1HB   ASP  70          2HB       ASP  70   2.630  -3.933  -8.431
  577   2HB   ASP  70          1HB       ASP  70   2.798  -2.367  -9.215
  578    H    ASN  71           H        ASN  71   1.103  -2.566  -6.509
  579    HA   ASN  71           HA       ASN  71   0.265   0.034  -7.258
  580   1HB   ASN  71          2HB       ASN  71  -0.940  -2.220  -5.709
  581   2HB   ASN  71          1HB       ASN  71  -1.715  -0.638  -5.647
  582   1HD2  ASN  71          1HD2      ASN  71  -3.086  -0.142  -7.205
  583   2HD2  ASN  71          2HD2      ASN  71  -3.252  -0.976  -8.707
  584    H    PHE  72           H        PHE  72   0.958  -1.395  -4.060
  585    HA   PHE  72           HA       PHE  72   0.418   0.920  -2.553
  586   1HB   PHE  72          2HB       PHE  72   0.560  -1.264  -1.496
  587   2HB   PHE  72          1HB       PHE  72   2.251  -1.416  -1.955
  588    HD1  PHE  72           2HD      PHE  72  -0.109   0.430   0.208
  589    HD2  PHE  72           1HD      PHE  72   3.967  -0.474  -0.630
  590    HE1  PHE  72           2HE      PHE  72   0.556   1.458   2.344
  591    HE2  PHE  72           1HE      PHE  72   4.635   0.551   1.505
  592    HZ   PHE  72           HZ       PHE  72   2.931   1.519   2.994
  593    H    LYS  73           H        LYS  73   3.498  -0.370  -3.785
  594    HA   LYS  73           HA       LYS  73   5.132   1.698  -2.813
  595   1HB   LYS  73          2HB       LYS  73   5.753  -0.620  -3.823
  596   2HB   LYS  73          1HB       LYS  73   5.754   0.234  -5.358
  597   1HG   LYS  73          2HG       LYS  73   7.506   1.681  -4.638
  598   2HG   LYS  73          1HG       LYS  73   7.397   1.078  -2.982
  599   1HD   LYS  73          2HD       LYS  73   7.994  -1.199  -3.915
  600   2HD   LYS  73          1HD       LYS  73   8.377  -0.378  -5.430
  601   1HE   LYS  73          2HE       LYS  73  10.080   0.925  -4.366
  602   2HE   LYS  73          1HE       LYS  73   9.607   0.333  -2.773
  603   1HZ   LYS  73          1HZ       LYS  73  11.190  -0.967  -4.845
  604   2HZ   LYS  73          2HZ       LYS  73  10.136  -1.961  -3.974
  605   3HZ   LYS  73          3HZ       LYS  73  11.318  -1.066  -3.161
  606    H    LEU  74           H        LEU  74   3.263   1.393  -5.796
  607    HA   LEU  74           HA       LEU  74   4.383   3.537  -7.210
  608   1HB   LEU  74          2HB       LEU  74   1.934   1.934  -7.370
  609   2HB   LEU  74          1HB       LEU  74   1.747   3.567  -7.980
  610    HG   LEU  74           HG       LEU  74   4.074   1.952  -8.922
  611   1HD1  LEU  74          1HD1      LEU  74   1.680   0.756  -9.041
  612   2HD1  LEU  74          2HD1      LEU  74   2.908   0.588 -10.293
  613   3HD1  LEU  74          3HD1      LEU  74   1.589   1.739 -10.503
  614   1HD2  LEU  74          1HD2      LEU  74   3.681   4.390  -9.471
  615   2HD2  LEU  74          2HD2      LEU  74   2.290   3.859 -10.415
  616   3HD2  LEU  74          3HD2      LEU  74   3.908   3.312 -10.849
  617    H    MET  75           H        MET  75   1.632   3.477  -4.935
  618    HA   MET  75           HA       MET  75   0.997   6.220  -5.216
  619   1HB   MET  75          2HB       MET  75  -0.322   4.233  -4.077
  620   2HB   MET  75          1HB       MET  75   0.486   4.821  -2.632
  621   1HG   MET  75          2HG       MET  75  -0.944   6.775  -4.372
  622   2HG   MET  75          1HG       MET  75  -1.881   5.713  -3.321
  623   1HE   MET  75          1HE       MET  75   0.734   5.766  -0.815
  624   2HE   MET  75          2HE       MET  75  -0.954   5.260  -0.872
  625   3HE   MET  75          3HE       MET  75  -0.462   6.574   0.195
  626    H    CYS  76           H        CYS  76   3.140   4.490  -2.981
  627    HA   CYS  76           HA       CYS  76   3.744   6.613  -1.265
  628   1HB   CYS  76          2HB       CYS  76   5.092   4.066  -2.020
  629   2HB   CYS  76          1HB       CYS  76   6.054   5.277  -1.181
  630    HG   CYS  76           HG       CYS  76   3.691   3.709   0.036
  631    H    THR  77           H        THR  77   5.417   5.539  -4.225
  632    HA   THR  77           HA       THR  77   7.301   7.686  -4.195
  633    HB   THR  77           HB       THR  77   6.593   6.253  -6.724
  634    HG1  THR  77           1HG      THR  77   6.708   4.467  -5.569
  635   1HG2  THR  77          1HG2      THR  77   9.328   6.628  -5.589
  636   2HG2  THR  77          2HG2      THR  77   8.507   7.949  -6.422
  637   3HG2  THR  77          3HG2      THR  77   8.827   6.437  -7.270
  638    H    ASN  78           H        ASN  78   4.177   7.133  -5.735
  639    HA   ASN  78           HA       ASN  78   4.158   9.313  -7.496
  640   1HB   ASN  78          2HB       ASN  78   2.002   7.721  -6.135
  641   2HB   ASN  78          1HB       ASN  78   1.596   9.112  -7.124
  642   1HD2  ASN  78          1HD2      ASN  78   0.481   7.016  -8.010
  643   2HD2  ASN  78          2HD2      ASN  78   1.275   6.289  -9.350
  644    H    ALA  79           H        ALA  79   3.104   9.023  -4.119
  645    HA   ALA  79           HA       ALA  79   2.120  11.676  -3.892
  646   1HB   ALA  79          1HB       ALA  79   2.067  11.264  -1.502
  647   2HB   ALA  79          2HB       ALA  79   3.087   9.839  -1.700
  648   3HB   ALA  79          3HB       ALA  79   1.456   9.857  -2.370
  649    H    MET  80           H        MET  80   5.251  10.171  -3.277
  650    HA   MET  80           HA       MET  80   6.446  12.440  -2.049
  651   1HB   MET  80          2HB       MET  80   7.281   9.772  -2.908
  652   2HB   MET  80          1HB       MET  80   8.533  10.986  -3.137
  653   1HG   MET  80          2HG       MET  80   8.383  11.613  -0.797
  654   2HG   MET  80          1HG       MET  80   7.087  10.443  -0.556
  655   1HE   MET  80          1HE       MET  80  11.290   9.073  -1.868
  656   2HE   MET  80          2HE       MET  80  10.741  10.747  -1.956
  657   3HE   MET  80          3HE       MET  80  10.010   9.524  -2.994
  658    H    ILE  81           H        ILE  81   6.310  11.282  -5.405
  659    HA   ILE  81           HA       ILE  81   8.186  13.174  -6.384
  660    HB   ILE  81           HB       ILE  81   7.686  11.132  -7.635
  661   1HG1  ILE  81          2HG1      ILE  81   7.312  12.284  -9.906
  662   2HG1  ILE  81          1HG1      ILE  81   7.224  13.783  -8.989
  663   1HG2  ILE  81          1HG2      ILE  81   5.022  12.395  -8.255
  664   2HG2  ILE  81          2HG2      ILE  81   5.284  11.005  -7.204
  665   3HG2  ILE  81          3HG2      ILE  81   5.647  10.888  -8.924
  666   1HD1  ILE  81          1HD1      ILE  81   9.494  12.646 -10.012
  667   2HD1  ILE  81          2HD1      ILE  81   9.550  12.177  -8.312
  668   3HD1  ILE  81          3HD1      ILE  81   9.433  13.881  -8.755
  669    H    TYR  82           H        TYR  82   4.595  13.175  -6.351
  670    HA   TYR  82           HA       TYR  82   4.393  15.698  -7.640
  671   1HB   TYR  82          2HB       TYR  82   2.499  14.099  -7.535
  672   2HB   TYR  82          1HB       TYR  82   2.372  14.388  -5.802
  673    HD1  TYR  82           2HD      TYR  82   2.754  16.626  -8.777
  674    HD2  TYR  82           1HD      TYR  82   0.492  15.640  -5.312
  675    HE1  TYR  82           2HE      TYR  82   1.279  18.543  -9.202
  676    HE2  TYR  82           1HE      TYR  82  -0.988  17.557  -5.726
  677    HH   TYR  82           HH       TYR  82  -1.004  19.280  -8.653
  678    H    ASN  83           H        ASN  83   5.031  14.762  -4.354
  679    HA   ASN  83           HA       ASN  83   4.641  17.513  -3.446
  680   1HB   ASN  83          2HB       ASN  83   3.765  15.234  -2.290
  681   2HB   ASN  83          1HB       ASN  83   5.334  15.371  -1.502
  682   1HD2  ASN  83          1HD2      ASN  83   5.232  16.375   0.381
  683   2HD2  ASN  83          2HD2      ASN  83   4.147  17.654   0.796
  684    H    LYS  84           H        LYS  84   6.483  16.933  -1.172
  685    HA   LYS  84           HA       LYS  84   9.089  16.373  -1.996
  686   1HB   LYS  84          2HB       LYS  84   8.140  19.096  -2.586
  687   2HB   LYS  84          1HB       LYS  84   9.641  19.047  -1.676
  688   1HG   LYS  84          2HG       LYS  84   9.952  17.163  -3.716
  689   2HG   LYS  84          1HG       LYS  84   9.172  18.554  -4.469
  690   1HD   LYS  84          2HD       LYS  84  11.719  18.594  -2.849
  691   2HD   LYS  84          1HD       LYS  84  11.596  18.750  -4.601
  692   1HE   LYS  84          2HE       LYS  84  11.299  20.940  -4.408
  693   2HE   LYS  84          1HE       LYS  84   9.878  20.679  -3.397
  694   1HZ   LYS  84          1HZ       LYS  84  11.641  22.038  -2.341
  695   2HZ   LYS  84          2HZ       LYS  84  12.663  20.691  -2.366
  696   3HZ   LYS  84          3HZ       LYS  84  11.238  20.653  -1.455
  697    HA   PRO  85           HA       PRO  85   9.959  16.789   2.327
  698   1HB   PRO  85          2HB       PRO  85  12.264  18.589   1.931
  699   2HB   PRO  85          1HB       PRO  85  12.224  16.944   2.574
  700   1HG   PRO  85          2HG       PRO  85  13.246  17.481   0.156
  701   2HG   PRO  85          1HG       PRO  85  12.354  15.980   0.475
  702   1HD   PRO  85          2HD       PRO  85  11.426  18.486  -0.884
  703   2HD   PRO  85          1HD       PRO  85  11.133  16.791  -1.328
  704    H    GLU  86           H        GLU  86   7.954  18.221   2.297
  705    HA   GLU  86           HA       GLU  86   8.441  21.048   2.759
  706   1HB   GLU  86          2HB       GLU  86   5.922  19.387   2.685
  707   2HB   GLU  86          1HB       GLU  86   5.930  21.100   3.074
  708   1HG   GLU  86          2HG       GLU  86   6.914  21.573   0.871
  709   2HG   GLU  86          1HG       GLU  86   6.839  19.855   0.488
  710    H    THR  87           H        THR  87   6.437  18.721   4.568
  711    HA   THR  87           HA       THR  87   7.695  19.642   7.056
  712    HB   THR  87           HB       THR  87   5.445  19.675   8.136
  713    HG1  THR  87           1HG      THR  87   4.566  19.318   5.465
  714   1HG2  THR  87          1HG2      THR  87   5.289  21.557   5.831
  715   2HG2  THR  87          2HG2      THR  87   6.557  21.732   7.043
  716   3HG2  THR  87          3HG2      THR  87   4.863  21.813   7.524
  717    H    ILE  88           H        ILE  88   4.892  17.535   6.599
  718    HA   ILE  88           HA       ILE  88   6.514  15.273   7.571
  719    HB   ILE  88           HB       ILE  88   3.574  15.677   8.131
  720   1HG1  ILE  88          2HG1      ILE  88   5.434  15.841  10.396
  721   2HG1  ILE  88          1HG1      ILE  88   5.608  17.164   9.251
  722   1HG2  ILE  88          1HG2      ILE  88   4.418  13.978  10.015
  723   2HG2  ILE  88          2HG2      ILE  88   5.557  13.568   8.734
  724   3HG2  ILE  88          3HG2      ILE  88   3.822  13.449   8.442
  725   1HD1  ILE  88          1HD1      ILE  88   3.743  18.136   9.958
  726   2HD1  ILE  88          2HD1      ILE  88   3.801  17.014  11.317
  727   3HD1  ILE  88          3HD1      ILE  88   2.833  16.626   9.894
  728    H    TYR  89           H        TYR  89   4.758  16.430   4.955
  729    HA   TYR  89           HA       TYR  89   3.338  14.161   4.094
  730   1HB   TYR  89          2HB       TYR  89   4.499  16.533   2.651
  731   2HB   TYR  89          1HB       TYR  89   3.706  15.233   1.770
  732    HD1  TYR  89           2HD      TYR  89   3.091  17.562   4.631
  733    HD2  TYR  89           1HD      TYR  89   1.433  15.375   1.380
  734    HE1  TYR  89           2HE      TYR  89   0.910  18.619   5.041
  735    HE2  TYR  89           1HE      TYR  89  -0.751  16.428   1.780
  736    HH   TYR  89           HH       TYR  89  -1.241  19.098   3.379
  737    H    TYR  90           H        TYR  90   6.645  15.258   3.362
  738    HA   TYR  90           HA       TYR  90   7.297  13.118   1.632
  739   1HB   TYR  90          2HB       TYR  90   8.593  15.211   1.700
  740   2HB   TYR  90          1HB       TYR  90   9.139  14.823   3.327
  741    HD1  TYR  90           1HD      TYR  90   9.349  13.796  -0.222
  742    HD2  TYR  90           2HD      TYR  90  10.977  13.360   3.685
  743    HE1  TYR  90           1HE      TYR  90  11.272  12.587  -1.163
  744    HE2  TYR  90           2HE      TYR  90  12.904  12.151   2.755
  745    HH   TYR  90           HH       TYR  90  12.972  10.920  -0.369
  746    H    LYS  91           H        LYS  91   7.829  13.608   5.111
  747    HA   LYS  91           HA       LYS  91   9.188  11.157   5.538
  748   1HB   LYS  91          2HB       LYS  91   7.954  13.241   7.259
  749   2HB   LYS  91          1HB       LYS  91   8.214  11.660   7.980
  750   1HG   LYS  91          2HG       LYS  91  10.620  11.943   6.976
  751   2HG   LYS  91          1HG       LYS  91  10.198  13.657   7.025
  752   1HD   LYS  91          2HD       LYS  91   9.796  11.905   9.425
  753   2HD   LYS  91          1HD       LYS  91  11.378  12.600   9.069
  754   1HE   LYS  91          2HE       LYS  91   8.962  14.359   9.100
  755   2HE   LYS  91          1HE       LYS  91   9.694  13.863  10.625
  756   1HZ   LYS  91          1HZ       LYS  91  10.712  15.666   8.574
  757   2HZ   LYS  91          2HZ       LYS  91  11.853  14.676   9.333
  758   3HZ   LYS  91          3HZ       LYS  91  10.896  15.723  10.254
  759    H    ALA  92           H        ALA  92   5.784  12.076   5.626
  760    HA   ALA  92           HA       ALA  92   4.770   9.766   6.865
  761   1HB   ALA  92          1HB       ALA  92   3.161  11.376   6.785
  762   2HB   ALA  92          2HB       ALA  92   2.684  10.447   5.364
  763   3HB   ALA  92          3HB       ALA  92   3.629  11.924   5.175
  764    H    ALA  93           H        ALA  93   5.260  10.533   3.425
  765    HA   ALA  93           HA       ALA  93   4.231   8.062   2.461
  766   1HB   ALA  93          1HB       ALA  93   6.029  10.088   1.135
  767   2HB   ALA  93          2HB       ALA  93   4.271  10.004   1.030
  768   3HB   ALA  93          3HB       ALA  93   5.260   8.731   0.313
  769    H    LYS  94           H        LYS  94   7.527   9.236   3.098
  770    HA   LYS  94           HA       LYS  94   8.843   6.916   2.136
  771   1HB   LYS  94          2HB       LYS  94   9.784   9.286   2.589
  772   2HB   LYS  94          1HB       LYS  94   9.997   8.722   4.241
  773   1HG   LYS  94          2HG       LYS  94  11.853   7.638   3.705
  774   2HG   LYS  94          1HG       LYS  94  11.054   6.806   2.369
  775   1HD   LYS  94          2HD       LYS  94  11.745   8.336   0.824
  776   2HD   LYS  94          1HD       LYS  94  11.756   9.664   1.984
  777   1HE   LYS  94          2HE       LYS  94  13.996   9.422   1.803
  778   2HE   LYS  94          1HE       LYS  94  13.730   8.164   3.007
  779   1HZ   LYS  94          1HZ       LYS  94  13.975   6.500   1.452
  780   2HZ   LYS  94          2HZ       LYS  94  15.101   7.636   0.901
  781   3HZ   LYS  94          3HZ       LYS  94  13.596   7.499   0.139
  782    H    LYS  95           H        LYS  95   7.984   7.960   5.436
  783    HA   LYS  95           HA       LYS  95   9.087   5.767   6.794
  784   1HB   LYS  95          2HB       LYS  95   8.176   7.988   7.739
  785   2HB   LYS  95          1HB       LYS  95   6.606   7.197   7.725
  786   1HG   LYS  95          2HG       LYS  95   7.325   6.829   9.880
  787   2HG   LYS  95          1HG       LYS  95   7.810   5.337   9.072
  788   1HD   LYS  95          2HD       LYS  95   9.904   5.699   9.730
  789   2HD   LYS  95          1HD       LYS  95   9.934   7.167   8.752
  790   1HE   LYS  95          2HE       LYS  95  10.254   8.259  10.673
  791   2HE   LYS  95          1HE       LYS  95   8.547   7.952  10.992
  792   1HZ   LYS  95          1HZ       LYS  95   9.471   7.096  12.870
  793   2HZ   LYS  95          2HZ       LYS  95  10.912   6.640  12.113
  794   3HZ   LYS  95          3HZ       LYS  95   9.518   5.704  11.908
  795    H    LEU  96           H        LEU  96   5.794   6.302   5.564
  796    HA   LEU  96           HA       LEU  96   4.697   3.875   6.475
  797   1HB   LEU  96          2HB       LEU  96   3.603   6.037   5.442
  798   2HB   LEU  96          1HB       LEU  96   3.750   5.142   3.942
  799    HG   LEU  96           HG       LEU  96   2.442   3.286   5.013
  800   1HD1  LEU  96          1HD1      LEU  96   1.546   3.433   7.096
  801   2HD1  LEU  96          2HD1      LEU  96   1.447   5.193   7.052
  802   3HD1  LEU  96          3HD1      LEU  96   2.993   4.404   7.363
  803   1HD2  LEU  96          1HD2      LEU  96   1.574   5.330   3.605
  804   2HD2  LEU  96          2HD2      LEU  96   0.775   5.748   5.120
  805   3HD2  LEU  96          3HD2      LEU  96   0.451   4.195   4.352
  806    H    LEU  97           H        LEU  97   6.424   4.723   3.514
  807    HA   LEU  97           HA       LEU  97   5.922   2.410   2.024
  808   1HB   LEU  97          2HB       LEU  97   7.140   4.601   1.364
  809   2HB   LEU  97          1HB       LEU  97   8.580   3.812   1.976
  810    HG   LEU  97           HG       LEU  97   6.871   2.516  -0.131
  811   1HD1  LEU  97          1HD1      LEU  97   7.934   4.958  -0.560
  812   2HD1  LEU  97          2HD1      LEU  97   7.746   3.731  -1.811
  813   3HD1  LEU  97          3HD1      LEU  97   9.299   3.933  -1.002
  814   1HD2  LEU  97          1HD2      LEU  97   9.532   2.068   1.093
  815   2HD2  LEU  97          2HD2      LEU  97   9.378   1.750  -0.635
  816   3HD2  LEU  97          3HD2      LEU  97   8.338   0.908   0.513
  817    H    HIS  98           H        HIS  98   8.490   3.119   4.378
  818    HA   HIS  98           HA       HIS  98   9.849   0.658   4.132
  819   1HB   HIS  98          2HB       HIS  98   9.737   2.748   6.296
  820   2HB   HIS  98          1HB       HIS  98  10.647   1.259   6.522
  821    HD1  HIS  98           1HD      HIS  98  11.738   1.136   3.542
  822    HD2  HIS  98           2HD      HIS  98  11.938   4.410   6.095
  823    HE1  HIS  98           1HE      HIS  98  13.656   2.527   2.702
  824    HE2  HIS  98           2HE      HIS  98  13.770   4.496   4.271
  825    H    SER  99           H        SER  99   7.150   1.702   6.153
  826    HA   SER  99           HA       SER  99   7.029  -0.570   7.820
  827   1HB   SER  99          2HB       SER  99   4.664   1.111   6.954
  828   2HB   SER  99          1HB       SER  99   4.826   0.171   8.436
  829    HG   SER  99           HG       SER  99   6.588   1.616   8.978
  830    H    GLY 100           H        GLY 100   5.437   0.207   4.742
  831   1HA   GLY 100          2HA       GLY 100   3.857  -2.109   4.545
  832   2HA   GLY 100          1HA       GLY 100   4.377  -1.112   3.195
  833    H    MET 101           H        MET 101   7.229  -1.535   3.703
  834    HA   MET 101           HA       MET 101   7.556  -3.915   2.178
  835   1HB   MET 101          2HB       MET 101   9.240  -1.729   3.112
  836   2HB   MET 101          1HB       MET 101  10.068  -3.275   3.201
  837   1HG   MET 101          2HG       MET 101   8.917  -3.380   0.726
  838   2HG   MET 101          1HG       MET 101   9.320  -1.672   0.883
  839   1HE   MET 101          1HE       MET 101  10.134  -5.106   0.531
  840   2HE   MET 101          2HE       MET 101  11.787  -5.346   1.096
  841   3HE   MET 101          3HE       MET 101  11.483  -4.930  -0.590
  842    H    LYS 102           H        LYS 102   8.207  -3.093   5.581
  843    HA   LYS 102           HA       LYS 102   9.297  -5.643   6.208
  844   1HB   LYS 102          2HB       LYS 102   9.104  -4.957   8.558
  845   2HB   LYS 102          1HB       LYS 102   9.866  -3.721   7.570
  846   1HG   LYS 102          2HG       LYS 102   7.996  -2.324   7.673
  847   2HG   LYS 102          1HG       LYS 102   6.941  -3.629   8.218
  848   1HD   LYS 102          2HD       LYS 102   7.545  -3.392  10.372
  849   2HD   LYS 102          1HD       LYS 102   9.237  -3.095   9.967
  850   1HE   LYS 102          2HE       LYS 102   8.611  -0.797   9.272
  851   2HE   LYS 102          1HE       LYS 102   6.967  -1.114   9.823
  852   1HZ   LYS 102          1HZ       LYS 102   9.383  -0.623  11.374
  853   2HZ   LYS 102          2HZ       LYS 102   8.312  -1.770  12.003
  854   3HZ   LYS 102          3HZ       LYS 102   7.781  -0.194  11.702
  855    H    ILE 103           H        ILE 103   6.045  -4.240   6.635
  856    HA   ILE 103           HA       ILE 103   4.949  -6.426   8.014
  857    HB   ILE 103           HB       ILE 103   2.757  -5.540   7.335
  858   1HG1  ILE 103          2HG1      ILE 103   3.102  -3.137   6.179
  859   2HG1  ILE 103          1HG1      ILE 103   4.435  -4.012   5.436
  860   1HG2  ILE 103          1HG2      ILE 103   4.439  -4.534   9.132
  861   2HG2  ILE 103          2HG2      ILE 103   2.833  -3.867   8.851
  862   3HG2  ILE 103          3HG2      ILE 103   4.242  -3.112   8.110
  863   1HD1  ILE 103          1HD1      ILE 103   2.946  -4.664   3.924
  864   2HD1  ILE 103          2HD1      ILE 103   1.584  -4.174   4.931
  865   3HD1  ILE 103          3HD1      ILE 103   2.332  -5.754   5.167
  866    H    LEU 104           H        LEU 104   5.348  -5.784   4.569
  867    HA   LEU 104           HA       LEU 104   3.637  -7.716   3.523
  868   1HB   LEU 104          2HB       LEU 104   5.683  -6.016   2.547
  869   2HB   LEU 104          1HB       LEU 104   6.033  -7.630   1.958
  870    HG   LEU 104           HG       LEU 104   3.223  -6.876   1.641
  871   1HD1  LEU 104          1HD1      LEU 104   3.603  -5.322  -0.206
  872   2HD1  LEU 104          2HD1      LEU 104   5.330  -5.321   0.147
  873   3HD1  LEU 104          3HD1      LEU 104   4.190  -4.667   1.324
  874   1HD2  LEU 104          1HD2      LEU 104   4.112  -7.504  -0.810
  875   2HD2  LEU 104          2HD2      LEU 104   3.675  -8.710   0.400
  876   3HD2  LEU 104          3HD2      LEU 104   5.367  -8.273   0.163
  877    H    SER 105           H        SER 105   6.824  -8.062   4.951
  878    HA   SER 105           HA       SER 105   7.283 -10.738   4.076
  879   1HB   SER 105          2HB       SER 105   8.497  -9.587   6.575
  880   2HB   SER 105          1HB       SER 105   9.209 -10.698   5.404
  881    HG   SER 105           HG       SER 105   9.349  -8.037   5.469
  882    H    GLN 106           H        GLN 106   5.359  -9.360   6.592
  883    HA   GLN 106           HA       GLN 106   5.298 -11.771   8.195
  884   1HB   GLN 106          2HB       GLN 106   4.072  -9.049   8.410
  885   2HB   GLN 106          1HB       GLN 106   3.402 -10.373   9.354
  886   1HG   GLN 106          2HG       GLN 106   4.929  -9.336  10.779
  887   2HG   GLN 106          1HG       GLN 106   5.772 -10.767  10.189
  888   1HE2  GLN 106          1HE2      GLN 106   5.590  -7.296  10.084
  889   2HE2  GLN 106          2HE2      GLN 106   7.116  -7.038   9.315
  890    H    GLU 107           H        GLU 107   4.054 -11.299   5.285
  891    HA   GLU 107           HA       GLU 107   1.313 -11.713   5.409
  892   1HB   GLU 107          2HB       GLU 107   2.839 -11.347   3.359
  893   2HB   GLU 107          1HB       GLU 107   3.050 -13.092   3.376
  894   1HG   GLU 107          2HG       GLU 107   0.268 -12.141   3.483
  895   2HG   GLU 107          1HG       GLU 107   1.137 -11.816   1.986
  896    H    ARG 108           H        ARG 108   3.959 -13.974   5.871
  897    HA   ARG 108           HA       ARG 108   2.005 -16.085   6.519
  898   1HB   ARG 108          2HB       ARG 108   4.858 -16.573   5.658
  899   2HB   ARG 108          1HB       ARG 108   3.550 -17.744   5.777
  900   1HG   ARG 108          2HG       ARG 108   3.144 -17.440   3.621
  901   2HG   ARG 108          1HG       ARG 108   2.668 -15.779   3.977
  902   1HD   ARG 108          2HD       ARG 108   4.400 -15.063   2.788
  903   2HD   ARG 108          1HD       ARG 108   5.484 -15.814   3.958
  904    HE   ARG 108           HE       ARG 108   5.981 -17.376   2.384
  905   1HH1  ARG 108          1HH1      ARG 108   2.852 -16.015   1.580
  906   2HH1  ARG 108          2HH1      ARG 108   2.694 -16.931   0.119
  907   1HH2  ARG 108          1HH2      ARG 108   5.764 -18.578   0.455
  908   2HH2  ARG 108          2HH2      ARG 108   4.345 -18.385  -0.521
  909    H    LEU 109           H        LEU 109   3.613 -17.859   7.834
  910    HA   LEU 109           HA       LEU 109   4.640 -18.355   9.798
  911   1HB   LEU 109          2HB       LEU 109   6.098 -16.254   8.914
  912   2HB   LEU 109          1HB       LEU 109   5.482 -15.589  10.413
  913    HG   LEU 109           HG       LEU 109   7.716 -16.606  10.663
  914   1HD1  LEU 109          1HD1      LEU 109   6.944 -18.297  12.516
  915   2HD1  LEU 109          2HD1      LEU 109   5.360 -17.605  12.178
  916   3HD1  LEU 109          3HD1      LEU 109   6.683 -16.564  12.700
  917   1HD2  LEU 109          1HD2      LEU 109   8.239 -18.726  10.088
  918   2HD2  LEU 109          2HD2      LEU 109   6.898 -18.515   8.963
  919   3HD2  LEU 109          3HD2      LEU 109   6.640 -19.349  10.496
  920    H    GLU 110           H        GLU 110   3.312 -18.843  11.392
  921    HA   GLU 110           HA       GLU 110   1.936 -18.682  13.190
  922   1HB   GLU 110          2HB       GLU 110   3.519 -16.460  13.444
  923   2HB   GLU 110          1HB       GLU 110   1.908 -15.755  13.427
  924   1HG   GLU 110          2HG       GLU 110   1.458 -17.703  15.175
  925   2HG   GLU 110          1HG       GLU 110   3.191 -17.525  15.427
  926    H    HIS 111           H        HIS 111  -0.134 -19.097  12.860
  927    HA   HIS 111           HA       HIS 111  -1.743 -17.130  11.375
  928   1HB   HIS 111          2HB       HIS 111  -3.048 -18.955  10.428
  929   2HB   HIS 111          1HB       HIS 111  -1.345 -19.163  10.041
  930    HD1  HIS 111           1HD      HIS 111  -2.664 -21.662   9.683
  931    HD2  HIS 111           2HD      HIS 111  -1.612 -20.446  13.514
  932    HE1  HIS 111           1HE      HIS 111  -2.608 -23.763  11.063
  933    HE2  HIS 111           2HE      HIS 111  -1.864 -23.013  13.351
  934    H    HIS 112           H        HIS 112  -4.228 -17.856  11.722
  935    HA   HIS 112           HA       HIS 112  -4.799 -18.597  14.460
  936   1HB   HIS 112          2HB       HIS 112  -6.004 -16.517  14.985
  937   2HB   HIS 112          1HB       HIS 112  -4.295 -16.210  14.693
  938    HD1  HIS 112           1HD      HIS 112  -7.676 -15.354  13.481
  939    HD2  HIS 112           2HD      HIS 112  -3.747 -14.889  12.208
  940    HE1  HIS 112           1HE      HIS 112  -7.762 -13.637  11.647
  941    HE2  HIS 112           2HE      HIS 112  -5.360 -13.290  10.969
  942    H    HIS 113           H        HIS 113  -7.241 -18.453  14.863
  943    HA   HIS 113           HA       HIS 113  -8.677 -19.133  12.380
  944   1HB   HIS 113          2HB       HIS 113  -8.162 -20.850  14.455
  945   2HB   HIS 113          1HB       HIS 113  -9.766 -20.255  14.868
  946    HD1  HIS 113           1HD      HIS 113  -8.922 -23.192  13.800
  947    HD2  HIS 113           2HD      HIS 113 -10.844 -20.182  11.676
  948    HE1  HIS 113           1HE      HIS 113 -10.149 -24.359  11.942
  949    HE2  HIS 113           2HE      HIS 113 -11.224 -22.508  10.613
  950    H    HIS 114           H        HIS 114  -9.043 -17.840  15.675
  951    HA   HIS 114           HA       HIS 114 -11.675 -16.807  15.146
  952   1HB   HIS 114          2HB       HIS 114  -9.765 -16.559  17.463
  953   2HB   HIS 114          1HB       HIS 114 -11.270 -15.649  17.405
  954    HD1  HIS 114           1HD      HIS 114 -13.498 -17.189  17.222
  955    HD2  HIS 114           2HD      HIS 114 -10.009 -19.084  18.444
  956    HE1  HIS 114           1HE      HIS 114 -14.240 -19.336  18.296
  957    HE2  HIS 114           2HE      HIS 114 -12.107 -20.509  18.945
  958    H    HIS 115           H        HIS 115 -12.169 -14.462  15.532
  959    HA   HIS 115           HA       HIS 115 -10.035 -12.703  14.527
  960   1HB   HIS 115          2HB       HIS 115 -11.727 -13.391  12.747
  961   2HB   HIS 115          1HB       HIS 115 -12.915 -12.460  13.653
  962    HD1  HIS 115           1HD      HIS 115 -13.156 -10.885  11.572
  963    HD2  HIS 115           2HD      HIS 115  -9.396 -10.876  13.339
  964    HE1  HIS 115           1HE      HIS 115 -11.980  -8.870  10.637
  965    HE2  HIS 115           2HE      HIS 115  -9.742  -8.833  11.792
  966    H    HIS 116           H        HIS 116  -9.615 -11.357  16.157
  967    HA   HIS 116           HA       HIS 116 -11.796  -9.797  17.292
  968   1HB   HIS 116          2HB       HIS 116 -11.257 -11.896  18.735
  969   2HB   HIS 116          1HB       HIS 116  -9.808 -11.007  19.194
  970    HD1  HIS 116           1HD      HIS 116 -13.570 -10.799  19.429
  971    HD2  HIS 116           2HD      HIS 116 -10.185  -9.039  21.080
  972    HE1  HIS 116           1HE      HIS 116 -14.406  -9.389  21.338
  973    HE2  HIS 116           2HE      HIS 116 -12.338  -8.356  22.339
  Start of MODEL    6
    1   1H    MET   0          1HT       MET   0   1.157 -22.297  -4.011
    2   2H    MET   0          2HT       MET   0   0.872 -23.867  -3.381
    3   3H    MET   0          3HT       MET   0   1.448 -22.619  -2.352
    4    HA   MET   0           HA       MET   0  -0.927 -23.160  -2.128
    5   1HB   MET   0          2HB       MET   0   0.405 -20.587  -2.458
    6   2HB   MET   0          1HB       MET   0  -1.324 -20.472  -2.749
    7   1HG   MET   0          2HG       MET   0  -1.260 -20.081  -0.510
    8   2HG   MET   0          1HG       MET   0  -1.473 -21.830  -0.512
    9   1HE   MET   0          1HE       MET   0  -0.368 -19.321   1.163
   10   2HE   MET   0          2HE       MET   0   1.388 -19.192   1.266
   11   3HE   MET   0          3HE       MET   0   0.516 -20.257   2.369
   12    H    GLU   1           H        GLU   1  -2.319 -24.186  -3.432
   13    HA   GLU   1           HA       GLU   1  -2.622 -23.583  -6.208
   14   1HB   GLU   1          2HB       GLU   1  -3.891 -25.459  -4.269
   15   2HB   GLU   1          1HB       GLU   1  -4.764 -25.105  -5.753
   16   1HG   GLU   1          2HG       GLU   1  -3.485 -27.085  -6.086
   17   2HG   GLU   1          1HG       GLU   1  -2.753 -25.793  -7.034
   18    H    GLU   2           H        GLU   2  -4.986 -23.300  -7.060
   19    HA   GLU   2           HA       GLU   2  -5.841 -20.725  -6.449
   20   1HB   GLU   2          2HB       GLU   2  -6.361 -22.055  -8.536
   21   2HB   GLU   2          1HB       GLU   2  -7.607 -22.880  -7.610
   22   1HG   GLU   2          2HG       GLU   2  -8.739 -20.756  -7.221
   23   2HG   GLU   2          1HG       GLU   2  -7.485 -19.916  -8.130
   24    H    VAL   3           H        VAL   3  -6.780 -23.798  -5.040
   25    HA   VAL   3           HA       VAL   3  -9.127 -22.953  -3.723
   26    HB   VAL   3           HB       VAL   3  -7.214 -25.090  -2.768
   27   1HG1  VAL   3          1HG1      VAL   3  -8.671 -24.979  -1.041
   28   2HG1  VAL   3          2HG1      VAL   3  -9.659 -25.975  -2.110
   29   3HG1  VAL   3          3HG1      VAL   3  -9.941 -24.237  -2.014
   30   1HG2  VAL   3          1HG2      VAL   3  -7.927 -26.515  -4.352
   31   2HG2  VAL   3          2HG2      VAL   3  -8.386 -25.059  -5.234
   32   3HG2  VAL   3          3HG2      VAL   3  -9.586 -25.925  -4.277
   33    H    GLU   4           H        GLU   4  -5.725 -22.646  -2.915
   34    HA   GLU   4           HA       GLU   4  -6.361 -21.623  -0.253
   35   1HB   GLU   4          2HB       GLU   4  -3.796 -22.389  -1.629
   36   2HB   GLU   4          1HB       GLU   4  -3.790 -21.463  -0.134
   37   1HG   GLU   4          2HG       GLU   4  -5.392 -23.955  -0.196
   38   2HG   GLU   4          1HG       GLU   4  -3.634 -24.101  -0.168
   39    H    GLN   5           H        GLN   5  -7.406 -19.943  -2.091
   40    HA   GLN   5           HA       GLN   5  -5.490 -17.798  -2.584
   41   1HB   GLN   5          2HB       GLN   5  -8.287 -18.367  -3.489
   42   2HB   GLN   5          1HB       GLN   5  -7.679 -16.718  -3.555
   43   1HG   GLN   5          2HG       GLN   5  -5.866 -17.410  -4.995
   44   2HG   GLN   5          1HG       GLN   5  -6.377 -19.089  -4.872
   45   1HE2  GLN   5          1HE2      GLN   5  -8.948 -19.149  -5.301
   46   2HE2  GLN   5          2HE2      GLN   5  -9.383 -18.451  -6.821
   47    H    THR   6           H        THR   6  -8.272 -18.542  -0.574
   48    HA   THR   6           HA       THR   6  -8.865 -16.001   0.390
   49    HB   THR   6           HB       THR   6  -9.074 -18.160   2.385
   50    HG1  THR   6           1HG      THR   6 -10.420 -19.429   1.230
   51   1HG2  THR   6          1HG2      THR   6 -10.481 -16.440   2.899
   52   2HG2  THR   6          2HG2      THR   6 -11.567 -17.486   1.985
   53   3HG2  THR   6          3HG2      THR   6 -10.840 -16.079   1.210
   54    HA   PRO   7           HA       PRO   7  -5.711 -17.076   4.084
   55   1HB   PRO   7          2HB       PRO   7  -3.763 -18.488   2.319
   56   2HB   PRO   7          1HB       PRO   7  -4.135 -18.754   4.026
   57   1HG   PRO   7          2HG       PRO   7  -5.053 -20.420   2.168
   58   2HG   PRO   7          1HG       PRO   7  -6.059 -19.963   3.555
   59   1HD   PRO   7          2HD       PRO   7  -6.209 -19.053   0.720
   60   2HD   PRO   7          1HD       PRO   7  -7.516 -19.331   1.888
   61    H    LEU   8           H        LEU   8  -4.616 -16.664   0.723
   62    HA   LEU   8           HA       LEU   8  -2.481 -14.901   1.299
   63   1HB   LEU   8          2HB       LEU   8  -4.015 -15.651  -1.148
   64   2HB   LEU   8          1HB       LEU   8  -3.027 -14.202  -1.207
   65    HG   LEU   8           HG       LEU   8  -1.728 -16.672  -0.192
   66   1HD1  LEU   8          1HD1      LEU   8  -2.757 -17.719  -2.003
   67   2HD1  LEU   8          2HD1      LEU   8  -1.192 -17.216  -2.642
   68   3HD1  LEU   8          3HD1      LEU   8  -2.641 -16.283  -3.021
   69   1HD2  LEU   8          1HD2      LEU   8   0.181 -15.627  -0.811
   70   2HD2  LEU   8          2HD2      LEU   8  -0.835 -14.193  -0.683
   71   3HD2  LEU   8          3HD2      LEU   8  -0.539 -14.926  -2.260
   72    H    GLN   9           H        GLN   9  -5.881 -14.349   0.442
   73    HA   GLN   9           HA       GLN   9  -5.758 -11.546   0.245
   74   1HB   GLN   9          2HB       GLN   9  -7.653 -13.036  -0.510
   75   2HB   GLN   9          1HB       GLN   9  -8.146 -13.146   1.173
   76   1HG   GLN   9          2HG       GLN   9  -8.017 -10.481   0.922
   77   2HG   GLN   9          1HG       GLN   9  -8.400 -10.918  -0.742
   78   1HE2  GLN   9          1HE2      GLN   9 -10.486 -10.961  -1.181
   79   2HE2  GLN   9          2HE2      GLN   9 -11.757 -11.314  -0.066
   80    H    GLU  10           H        GLU  10  -6.314 -13.685   3.016
   81    HA   GLU  10           HA       GLU  10  -7.033 -11.728   4.897
   82   1HB   GLU  10          2HB       GLU  10  -5.528 -14.302   5.401
   83   2HB   GLU  10          1HB       GLU  10  -6.402 -13.361   6.602
   84   1HG   GLU  10          2HG       GLU  10  -8.450 -13.752   5.083
   85   2HG   GLU  10          1HG       GLU  10  -7.474 -15.036   4.371
   86    H    ALA  11           H        ALA  11  -3.851 -13.047   4.027
   87    HA   ALA  11           HA       ALA  11  -2.324 -11.643   5.914
   88   1HB   ALA  11          1HB       ALA  11  -0.482 -12.449   4.822
   89   2HB   ALA  11          2HB       ALA  11  -1.175 -12.183   3.223
   90   3HB   ALA  11          3HB       ALA  11  -1.706 -13.553   4.196
   91    H    LEU  12           H        LEU  12  -3.369 -10.766   2.643
   92    HA   LEU  12           HA       LEU  12  -1.925  -8.334   2.494
   93   1HB   LEU  12          2HB       LEU  12  -3.717  -9.808   0.844
   94   2HB   LEU  12          1HB       LEU  12  -4.317  -8.163   0.950
   95    HG   LEU  12           HG       LEU  12  -1.425  -8.512   0.364
   96   1HD1  LEU  12          1HD1      LEU  12  -1.878  -9.973  -1.284
   97   2HD1  LEU  12          2HD1      LEU  12  -2.413  -8.530  -2.145
   98   3HD1  LEU  12          3HD1      LEU  12  -3.591  -9.558  -1.330
   99   1HD2  LEU  12          1HD2      LEU  12  -3.134  -6.384   0.487
  100   2HD2  LEU  12          2HD2      LEU  12  -3.084  -6.717  -1.243
  101   3HD2  LEU  12          3HD2      LEU  12  -1.589  -6.401  -0.362
  102    H    ASN  13           H        ASN  13  -5.272  -9.082   3.449
  103    HA   ASN  13           HA       ASN  13  -6.122  -6.435   3.879
  104   1HB   ASN  13          2HB       ASN  13  -7.046  -9.023   5.145
  105   2HB   ASN  13          1HB       ASN  13  -7.863  -7.480   5.361
  106   1HD2  ASN  13          1HD2      ASN  13  -8.561 -10.120   4.032
  107   2HD2  ASN  13          2HD2      ASN  13  -9.152  -9.656   2.479
  108    H    GLN  14           H        GLN  14  -4.453  -8.734   5.973
  109    HA   GLN  14           HA       GLN  14  -4.681  -7.276   8.378
  110   1HB   GLN  14          2HB       GLN  14  -3.558  -9.710   7.582
  111   2HB   GLN  14          1HB       GLN  14  -2.195  -8.770   8.175
  112   1HG   GLN  14          2HG       GLN  14  -3.254 -10.190   9.896
  113   2HG   GLN  14          1HG       GLN  14  -3.237  -8.477  10.305
  114   1HE2  GLN  14          1HE2      GLN  14  -5.383 -10.567   8.375
  115   2HE2  GLN  14          2HE2      GLN  14  -6.838 -10.092   9.176
  116    H    LEU  15           H        LEU  15  -2.164  -7.332   5.868
  117    HA   LEU  15           HA       LEU  15  -0.356  -5.575   7.086
  118   1HB   LEU  15          2HB       LEU  15   0.298  -6.879   5.175
  119   2HB   LEU  15          1HB       LEU  15  -0.931  -6.128   4.176
  120    HG   LEU  15           HG       LEU  15   1.168  -4.374   5.360
  121   1HD1  LEU  15          1HD1      LEU  15   2.712  -5.858   4.572
  122   2HD1  LEU  15          2HD1      LEU  15   2.412  -4.928   3.106
  123   3HD1  LEU  15          3HD1      LEU  15   1.635  -6.495   3.329
  124   1HD2  LEU  15          1HD2      LEU  15  -0.317  -3.125   4.132
  125   2HD2  LEU  15          2HD2      LEU  15  -0.606  -4.414   2.964
  126   3HD2  LEU  15          3HD2      LEU  15   0.897  -3.493   2.910
  127    H    MET  16           H        MET  16  -3.127  -4.944   4.969
  128    HA   MET  16           HA       MET  16  -2.754  -2.163   4.717
  129   1HB   MET  16          2HB       MET  16  -4.466  -3.959   3.609
  130   2HB   MET  16          1HB       MET  16  -5.541  -3.142   4.733
  131   1HG   MET  16          2HG       MET  16  -5.843  -1.719   3.036
  132   2HG   MET  16          1HG       MET  16  -4.323  -1.020   3.592
  133   1HE   MET  16          1HE       MET  16  -1.835  -3.074   1.227
  134   2HE   MET  16          2HE       MET  16  -2.367  -3.323   2.887
  135   3HE   MET  16          3HE       MET  16  -1.859  -1.720   2.356
  136    H    ARG  17           H        ARG  17  -4.686  -4.072   7.018
  137    HA   ARG  17           HA       ARG  17  -5.838  -1.908   8.386
  138   1HB   ARG  17          2HB       ARG  17  -5.306  -4.772   9.090
  139   2HB   ARG  17          1HB       ARG  17  -5.871  -3.666  10.334
  140   1HG   ARG  17          2HG       ARG  17  -7.910  -3.299   9.251
  141   2HG   ARG  17          1HG       ARG  17  -7.315  -3.952   7.722
  142   1HD   ARG  17          2HD       ARG  17  -6.985  -6.115   9.249
  143   2HD   ARG  17          1HD       ARG  17  -8.303  -5.354  10.140
  144    HE   ARG  17           HE       ARG  17  -8.949  -5.381   7.410
  145   1HH1  ARG  17          1HH1      ARG  17  -8.551  -7.610  10.078
  146   2HH1  ARG  17          2HH1      ARG  17  -9.682  -8.759   9.448
  147   1HH2  ARG  17          1HH2      ARG  17 -10.438  -6.895   6.584
  148   2HH2  ARG  17          2HH2      ARG  17 -10.754  -8.354   7.462
  149    H    GLN  18           H        GLN  18  -2.839  -3.718   9.035
  150    HA   GLN  18           HA       GLN  18  -2.145  -2.298  11.377
  151   1HB   GLN  18          2HB       GLN  18  -0.729  -4.109   9.491
  152   2HB   GLN  18          1HB       GLN  18   0.262  -3.101  10.537
  153   1HG   GLN  18          2HG       GLN  18  -0.608  -4.082  12.487
  154   2HG   GLN  18          1HG       GLN  18  -1.947  -4.824  11.610
  155   1HE2  GLN  18          1HE2      GLN  18  -1.741  -6.916  11.313
  156   2HE2  GLN  18          2HE2      GLN  18  -0.258  -7.787  11.157
  157    H    LEU  19           H        LEU  19  -1.402  -1.772   7.958
  158    HA   LEU  19           HA       LEU  19   0.421   0.366   8.374
  159   1HB   LEU  19          2HB       LEU  19  -0.894  -0.928   6.101
  160   2HB   LEU  19          1HB       LEU  19  -0.639   0.791   5.869
  161    HG   LEU  19           HG       LEU  19   1.622  -0.970   6.759
  162   1HD1  LEU  19          1HD1      LEU  19   1.419  -2.139   4.866
  163   2HD1  LEU  19          2HD1      LEU  19   2.009  -0.678   4.072
  164   3HD1  LEU  19          3HD1      LEU  19   0.276  -0.992   4.165
  165   1HD2  LEU  19          1HD2      LEU  19   1.637   1.497   5.040
  166   2HD2  LEU  19          2HD2      LEU  19   2.991   0.740   5.876
  167   3HD2  LEU  19          3HD2      LEU  19   1.729   1.555   6.800
  168    H    GLN  20           H        GLN  20  -3.070   0.233   7.753
  169    HA   GLN  20           HA       GLN  20  -3.447   3.029   7.511
  170   1HB   GLN  20          2HB       GLN  20  -5.024   0.864   7.072
  171   2HB   GLN  20          1HB       GLN  20  -5.695   1.439   8.591
  172   1HG   GLN  20          2HG       GLN  20  -6.738   3.124   7.596
  173   2HG   GLN  20          1HG       GLN  20  -5.289   3.603   6.717
  174   1HE2  GLN  20          1HE2      GLN  20  -8.339   2.927   6.194
  175   2HE2  GLN  20          2HE2      GLN  20  -8.258   2.118   4.671
  176    H    ARG  21           H        ARG  21  -3.489   0.827  10.259
  177    HA   ARG  21           HA       ARG  21  -4.509   2.688  12.146
  178   1HB   ARG  21          2HB       ARG  21  -3.097   0.054  12.355
  179   2HB   ARG  21          1HB       ARG  21  -3.398   1.016  13.796
  180   1HG   ARG  21          2HG       ARG  21  -5.802   0.843  12.256
  181   2HG   ARG  21          1HG       ARG  21  -5.140  -0.772  12.501
  182   1HD   ARG  21          2HD       ARG  21  -6.719  -0.065  14.278
  183   2HD   ARG  21          1HD       ARG  21  -5.113  -0.464  14.884
  184    HE   ARG  21           HE       ARG  21  -4.992   2.217  14.515
  185   1HH1  ARG  21          1HH1      ARG  21  -7.242   0.152  16.225
  186   2HH1  ARG  21          2HH1      ARG  21  -7.617   1.345  17.422
  187   1HH2  ARG  21          1HH2      ARG  21  -5.485   3.782  16.102
  188   2HH2  ARG  21          2HH2      ARG  21  -6.621   3.401  17.352
  189    H    LYS  22           H        LYS  22  -1.413   2.383  10.705
  190    HA   LYS  22           HA       LYS  22   0.339   3.120  12.701
  191   1HB   LYS  22          2HB       LYS  22   0.281   3.610   9.750
  192   2HB   LYS  22          1HB       LYS  22   1.501   4.422  10.718
  193   1HG   LYS  22          2HG       LYS  22   1.079   1.446  10.547
  194   2HG   LYS  22          1HG       LYS  22   2.362   2.364   9.758
  195   1HD   LYS  22          2HD       LYS  22   2.934   3.164  12.155
  196   2HD   LYS  22          1HD       LYS  22   1.973   1.779  12.673
  197   1HE   LYS  22          2HE       LYS  22   4.170   1.472  10.661
  198   2HE   LYS  22          1HE       LYS  22   4.522   1.490  12.387
  199   1HZ   LYS  22          1HZ       LYS  22   2.397  -0.301  11.499
  200   2HZ   LYS  22          2HZ       LYS  22   3.572  -0.521  12.695
  201   3HZ   LYS  22          3HZ       LYS  22   3.977  -0.726  11.066
  202    H    ASP  23           H        ASP  23  -0.809   5.525  10.327
  203    HA   ASP  23           HA       ASP  23  -2.069   7.368  11.815
  204   1HB   ASP  23          2HB       ASP  23   0.638   7.242  12.748
  205   2HB   ASP  23          1HB       ASP  23   0.361   8.811  12.006
  206    HA   PRO  24           HA       PRO  24   0.334   9.715   8.239
  207   1HB   PRO  24          2HB       PRO  24   1.667   7.381   6.995
  208   2HB   PRO  24          1HB       PRO  24   2.288   9.008   7.284
  209   1HG   PRO  24          2HG       PRO  24   3.112   6.944   8.762
  210   2HG   PRO  24          1HG       PRO  24   2.852   8.541   9.484
  211   1HD   PRO  24          2HD       PRO  24   1.114   6.115   9.595
  212   2HD   PRO  24          1HD       PRO  24   1.502   7.292  10.866
  213    H    SER  25           H        SER  25  -0.857   6.406   7.901
  214    HA   SER  25           HA       SER  25  -1.728   6.515   5.244
  215   1HB   SER  25          2HB       SER  25  -1.717   4.566   7.121
  216   2HB   SER  25          1HB       SER  25  -3.431   4.987   7.122
  217    HG   SER  25           HG       SER  25  -3.207   3.477   5.547
  218    H    ALA  26           H        ALA  26  -3.113   7.862   8.147
  219    HA   ALA  26           HA       ALA  26  -5.771   8.167   7.483
  220   1HB   ALA  26          1HB       ALA  26  -5.579  10.352   8.826
  221   2HB   ALA  26          2HB       ALA  26  -3.894   9.884   9.060
  222   3HB   ALA  26          3HB       ALA  26  -5.188   8.832   9.633
  223    H    PHE  27           H        PHE  27  -3.011   9.869   6.159
  224    HA   PHE  27           HA       PHE  27  -4.598  11.944   4.938
  225   1HB   PHE  27          2HB       PHE  27  -1.742  11.234   4.267
  226   2HB   PHE  27          1HB       PHE  27  -2.557  12.774   4.022
  227    HD1  PHE  27           2HD      PHE  27  -3.716  13.543   6.445
  228    HD2  PHE  27           1HD      PHE  27  -0.117  11.345   5.867
  229    HE1  PHE  27           2HE      PHE  27  -2.892  14.327   8.626
  230    HE2  PHE  27           1HE      PHE  27   0.712  12.123   8.049
  231    HZ   PHE  27           HZ       PHE  27  -0.675  13.617   9.431
  232    H    PHE  28           H        PHE  28  -2.860   9.051   3.787
  233    HA   PHE  28           HA       PHE  28  -4.206   9.351   1.187
  234   1HB   PHE  28          2HB       PHE  28  -1.909   7.493   1.826
  235   2HB   PHE  28          1HB       PHE  28  -2.496   7.971   0.237
  236    HD1  PHE  28           2HD      PHE  28  -2.574  10.712   0.049
  237    HD2  PHE  28           1HD      PHE  28   0.116   8.390   2.393
  238    HE1  PHE  28           2HE      PHE  28  -0.948  12.557   0.005
  239    HE2  PHE  28           1HE      PHE  28   1.747  10.232   2.352
  240    HZ   PHE  28           HZ       PHE  28   1.217  12.317   1.155
  241    H    SER  29           H        SER  29  -5.623   8.386   3.485
  242    HA   SER  29           HA       SER  29  -5.843   5.510   3.166
  243   1HB   SER  29          2HB       SER  29  -6.016   6.240   5.417
  244   2HB   SER  29          1HB       SER  29  -7.154   7.517   5.000
  245    HG   SER  29           HG       SER  29  -7.758   5.154   5.866
  246    H    PHE  30           H        PHE  30  -7.214   8.259   1.728
  247    HA   PHE  30           HA       PHE  30  -9.447   6.657   0.693
  248   1HB   PHE  30          2HB       PHE  30 -10.399   9.169   0.409
  249   2HB   PHE  30          1HB       PHE  30 -10.734   8.164   1.812
  250    HD1  PHE  30           2HD      PHE  30  -9.297   8.465   3.872
  251    HD2  PHE  30           1HD      PHE  30  -9.276  11.205   0.614
  252    HE1  PHE  30           2HE      PHE  30  -8.301  10.181   5.325
  253    HE2  PHE  30           1HE      PHE  30  -8.282  12.925   2.063
  254    HZ   PHE  30           HZ       PHE  30  -7.793  12.415   4.422
  255    HA   PRO  31           HA       PRO  31  -8.026   7.573  -3.376
  256   1HB   PRO  31          2HB       PRO  31 -10.316   8.242  -4.718
  257   2HB   PRO  31          1HB       PRO  31  -9.876   6.585  -4.293
  258   1HG   PRO  31          2HG       PRO  31 -11.751   8.461  -2.907
  259   2HG   PRO  31          1HG       PRO  31 -11.941   6.729  -3.242
  260   1HD   PRO  31          2HD       PRO  31 -11.216   7.634  -0.812
  261   2HD   PRO  31          1HD       PRO  31 -10.592   6.108  -1.469
  262    H    VAL  32           H        VAL  32  -6.806   9.328  -3.712
  263    HA   VAL  32           HA       VAL  32  -7.460  11.927  -2.926
  264    HB   VAL  32           HB       VAL  32  -5.637  12.621  -4.612
  265   1HG1  VAL  32          1HG1      VAL  32  -5.108  12.634  -2.336
  266   2HG1  VAL  32          2HG1      VAL  32  -3.872  11.611  -3.069
  267   3HG1  VAL  32          3HG1      VAL  32  -5.224  10.880  -2.205
  268   1HG2  VAL  32          1HG2      VAL  32  -5.999   9.987  -5.425
  269   2HG2  VAL  32          2HG2      VAL  32  -4.459   9.998  -4.567
  270   3HG2  VAL  32          3HG2      VAL  32  -4.720  11.092  -5.924
  271    H    THR  33           H        THR  33  -7.759  13.840  -4.254
  272    HA   THR  33           HA       THR  33  -8.955  13.420  -6.876
  273    HB   THR  33           HB       THR  33 -10.570  15.196  -5.164
  274    HG1  THR  33           1HG      THR  33 -10.283  13.593  -3.652
  275   1HG2  THR  33          1HG2      THR  33 -11.875  12.956  -6.496
  276   2HG2  THR  33          2HG2      THR  33 -10.948  13.994  -7.577
  277   3HG2  THR  33          3HG2      THR  33 -12.219  14.682  -6.567
  278    H    ASP  34           H        ASP  34 -10.035  15.967  -7.223
  279    HA   ASP  34           HA       ASP  34  -7.691  17.485  -7.751
  280   1HB   ASP  34          2HB       ASP  34 -10.217  17.408  -8.793
  281   2HB   ASP  34          1HB       ASP  34 -10.256  18.911  -7.882
  282    H    PHE  35           H        PHE  35  -9.444  17.139  -4.906
  283    HA   PHE  35           HA       PHE  35  -8.493  19.751  -3.932
  284   1HB   PHE  35          2HB       PHE  35 -10.872  19.902  -3.970
  285   2HB   PHE  35          1HB       PHE  35 -11.056  18.284  -3.304
  286    HD1  PHE  35           1HD      PHE  35 -10.435  17.872  -0.913
  287    HD2  PHE  35           2HD      PHE  35 -10.670  21.782  -2.575
  288    HE1  PHE  35           1HE      PHE  35 -10.582  18.825   1.355
  289    HE2  PHE  35           2HE      PHE  35 -10.815  22.740  -0.316
  290    HZ   PHE  35           HZ       PHE  35 -10.771  21.262   1.653
  291    H    ILE  36           H        ILE  36  -9.257  16.393  -3.118
  292    HA   ILE  36           HA       ILE  36  -8.190  16.356  -0.531
  293    HB   ILE  36           HB       ILE  36  -8.611  14.195  -2.583
  294   1HG1  ILE  36          2HG1      ILE  36  -9.941  14.735   0.080
  295   2HG1  ILE  36          1HG1      ILE  36 -10.577  15.253  -1.477
  296   1HG2  ILE  36          1HG2      ILE  36  -7.494  13.904   0.192
  297   2HG2  ILE  36          2HG2      ILE  36  -6.746  13.419  -1.330
  298   3HG2  ILE  36          3HG2      ILE  36  -8.173  12.570  -0.740
  299   1HD1  ILE  36          1HD1      ILE  36 -11.276  12.973  -0.232
  300   2HD1  ILE  36          2HD1      ILE  36  -9.973  12.388  -1.267
  301   3HD1  ILE  36          3HD1      ILE  36 -11.361  13.215  -1.976
  302    H    ALA  37           H        ALA  37  -6.676  16.045  -3.687
  303    HA   ALA  37           HA       ALA  37  -4.048  15.808  -2.367
  304   1HB   ALA  37          1HB       ALA  37  -3.954  13.914  -3.588
  305   2HB   ALA  37          2HB       ALA  37  -3.525  15.017  -4.893
  306   3HB   ALA  37          3HB       ALA  37  -5.188  14.459  -4.726
  307    HA   PRO  38           HA       PRO  38  -2.869  19.608  -4.275
  308   1HB   PRO  38          2HB       PRO  38  -0.258  19.254  -4.811
  309   2HB   PRO  38          1HB       PRO  38  -0.868  19.425  -3.163
  310   1HG   PRO  38          2HG       PRO  38  -0.110  16.954  -4.666
  311   2HG   PRO  38          1HG       PRO  38   0.201  17.372  -2.972
  312   1HD   PRO  38          2HD       PRO  38  -1.805  15.703  -3.769
  313   2HD   PRO  38          1HD       PRO  38  -1.877  16.683  -2.294
  314    H    GLY  39           H        GLY  39  -3.145  16.956  -6.057
  315   1HA   GLY  39          2HA       GLY  39  -3.879  17.607  -8.422
  316   2HA   GLY  39          1HA       GLY  39  -2.220  18.172  -8.567
  317    H    TYR  40           H        TYR  40  -3.285  15.272  -6.866
  318    HA   TYR  40           HA       TYR  40  -1.340  13.589  -7.888
  319   1HB   TYR  40          2HB       TYR  40  -3.955  13.177  -6.536
  320   2HB   TYR  40          1HB       TYR  40  -3.251  11.787  -7.357
  321    HD1  TYR  40           1HD      TYR  40  -1.698  14.559  -5.398
  322    HD2  TYR  40           2HD      TYR  40  -2.365  10.367  -5.733
  323    HE1  TYR  40           1HE      TYR  40  -0.246  14.178  -3.457
  324    HE2  TYR  40           2HE      TYR  40  -0.914   9.978  -3.795
  325    HH   TYR  40           HH       TYR  40   0.229  12.567  -1.797
  326    H    SER  41           H        SER  41  -4.710  13.926  -9.017
  327    HA   SER  41           HA       SER  41  -4.452  12.079 -11.149
  328   1HB   SER  41          2HB       SER  41  -6.570  13.015 -11.964
  329   2HB   SER  41          1HB       SER  41  -6.627  12.749 -10.222
  330    HG   SER  41           HG       SER  41  -6.604  15.136 -11.659
  331    H    MET  42           H        MET  42  -3.770  15.507 -10.897
  332    HA   MET  42           HA       MET  42  -3.566  15.963 -13.715
  333   1HB   MET  42          2HB       MET  42  -3.163  17.542 -11.252
  334   2HB   MET  42          1HB       MET  42  -2.221  18.054 -12.645
  335   1HG   MET  42          2HG       MET  42  -4.150  19.319 -12.800
  336   2HG   MET  42          1HG       MET  42  -4.441  17.990 -13.922
  337   1HE   MET  42          1HE       MET  42  -4.489  18.920 -10.362
  338   2HE   MET  42          2HE       MET  42  -5.434  17.603  -9.668
  339   3HE   MET  42          3HE       MET  42  -6.209  19.143 -10.041
  340    H    ILE  43           H        ILE  43  -1.369  14.654 -11.393
  341    HA   ILE  43           HA       ILE  43   0.859  15.068 -13.283
  342    HB   ILE  43           HB       ILE  43   1.185  16.172 -11.089
  343   1HG1  ILE  43          2HG1      ILE  43   3.359  14.519 -10.639
  344   2HG1  ILE  43          1HG1      ILE  43   2.968  14.212 -12.327
  345   1HG2  ILE  43          1HG2      ILE  43   1.895  14.251  -9.312
  346   2HG2  ILE  43          2HG2      ILE  43   0.525  13.483 -10.107
  347   3HG2  ILE  43          3HG2      ILE  43   0.327  15.054  -9.340
  348   1HD1  ILE  43          1HD1      ILE  43   3.931  16.105 -12.930
  349   2HD1  ILE  43          2HD1      ILE  43   4.425  16.346 -11.253
  350   3HD1  ILE  43          3HD1      ILE  43   2.903  17.024 -11.829
  351    H    ILE  44           H        ILE  44  -0.855  12.761 -11.293
  352    HA   ILE  44           HA       ILE  44   0.514  10.603 -12.685
  353    HB   ILE  44           HB       ILE  44   0.896  11.172  -9.976
  354   1HG1  ILE  44          2HG1      ILE  44   1.719   8.537 -10.439
  355   2HG1  ILE  44          1HG1      ILE  44   1.771   9.321 -12.010
  356   1HG2  ILE  44          1HG2      ILE  44   0.103   9.152  -8.836
  357   2HG2  ILE  44          2HG2      ILE  44  -0.797   8.700 -10.284
  358   3HG2  ILE  44          3HG2      ILE  44  -1.225  10.164  -9.398
  359   1HD1  ILE  44          1HD1      ILE  44   3.386  10.808 -11.363
  360   2HD1  ILE  44          2HD1      ILE  44   3.844   9.364 -10.459
  361   3HD1  ILE  44          3HD1      ILE  44   2.980  10.674  -9.652
  362    H    LYS  45           H        LYS  45  -0.880   9.623 -13.821
  363    HA   LYS  45           HA       LYS  45  -3.635   9.800 -13.730
  364   1HB   LYS  45          2HB       LYS  45  -1.678   8.024 -15.054
  365   2HB   LYS  45          1HB       LYS  45  -3.335   7.435 -14.976
  366   1HG   LYS  45          2HG       LYS  45  -4.159   9.245 -16.222
  367   2HG   LYS  45          1HG       LYS  45  -2.681  10.181 -15.994
  368   1HD   LYS  45          2HD       LYS  45  -2.328   7.575 -17.319
  369   2HD   LYS  45          1HD       LYS  45  -3.267   8.760 -18.228
  370   1HE   LYS  45          2HE       LYS  45  -1.181  10.275 -17.349
  371   2HE   LYS  45          1HE       LYS  45  -0.404   8.709 -17.577
  372   1HZ   LYS  45          1HZ       LYS  45  -0.194   9.659 -19.643
  373   2HZ   LYS  45          2HZ       LYS  45  -1.688  10.451 -19.571
  374   3HZ   LYS  45          3HZ       LYS  45  -1.626   8.782 -19.846
  375    H    HIS  46           H        HIS  46  -1.730   6.930 -12.690
  376    HA   HIS  46           HA       HIS  46  -4.067   6.134 -11.084
  377   1HB   HIS  46          2HB       HIS  46  -2.165   4.627 -12.758
  378   2HB   HIS  46          1HB       HIS  46  -2.589   3.864 -11.230
  379    HD1  HIS  46           1HD      HIS  46  -5.519   4.338 -10.973
  380    HD2  HIS  46           2HD      HIS  46  -3.728   3.463 -14.620
  381    HE1  HIS  46           1HE      HIS  46  -7.355   3.410 -12.418
  382    HE2  HIS  46           2HE      HIS  46  -6.227   2.795 -14.585
  383    HA   PRO  47           HA       PRO  47  -0.909   6.944  -7.831
  384   1HB   PRO  47          2HB       PRO  47  -2.576   8.150  -6.093
  385   2HB   PRO  47          1HB       PRO  47  -1.839   9.024  -7.440
  386   1HG   PRO  47          2HG       PRO  47  -4.608   7.953  -7.159
  387   2HG   PRO  47          1HG       PRO  47  -4.054   9.455  -7.917
  388   1HD   PRO  47          2HD       PRO  47  -4.719   7.145  -9.289
  389   2HD   PRO  47          1HD       PRO  47  -3.678   8.437  -9.918
  390    H    MET  48           H        MET  48  -4.222   5.769  -7.566
  391    HA   MET  48           HA       MET  48  -5.261   4.238  -6.272
  392   1HB   MET  48          2HB       MET  48  -3.090   3.050  -7.570
  393   2HB   MET  48          1HB       MET  48  -3.048   2.412  -5.931
  394   1HG   MET  48          2HG       MET  48  -4.474   0.897  -6.765
  395   2HG   MET  48          1HG       MET  48  -5.668   2.157  -6.465
  396   1HE   MET  48          1HE       MET  48  -7.555   1.593  -8.947
  397   2HE   MET  48          2HE       MET  48  -6.808   0.434  -7.849
  398   3HE   MET  48          3HE       MET  48  -6.658   0.218  -9.592
  399    H    ASP  49           H        ASP  49  -5.601   5.341  -4.369
  400    HA   ASP  49           HA       ASP  49  -3.632   5.460  -2.273
  401   1HB   ASP  49          2HB       ASP  49  -6.582   6.123  -2.324
  402   2HB   ASP  49          1HB       ASP  49  -5.541   6.381  -0.928
  403    H    PHE  50           H        PHE  50  -4.451   4.754   0.016
  404    HA   PHE  50           HA       PHE  50  -4.430   1.974   0.129
  405   1HB   PHE  50          2HB       PHE  50  -5.146   4.090   2.132
  406   2HB   PHE  50          1HB       PHE  50  -5.375   2.388   2.527
  407    HD1  PHE  50           2HD      PHE  50  -2.798   4.764   1.279
  408    HD2  PHE  50           1HD      PHE  50  -3.617   1.161   3.390
  409    HE1  PHE  50           2HE      PHE  50  -0.425   4.593   1.898
  410    HE2  PHE  50           1HE      PHE  50  -1.244   0.983   4.013
  411    HZ   PHE  50           HZ       PHE  50   0.354   2.701   3.269
  412    H    SER  51           H        SER  51  -7.196   4.203   0.213
  413    HA   SER  51           HA       SER  51  -9.170   2.281   0.813
  414   1HB   SER  51          2HB       SER  51  -9.881   4.493   1.097
  415   2HB   SER  51          1HB       SER  51  -9.251   4.998  -0.469
  416    HG   SER  51           HG       SER  51 -11.581   3.501   0.098
  417    H    THR  52           H        THR  52  -7.777   3.347  -2.252
  418    HA   THR  52           HA       THR  52  -9.624   1.995  -3.923
  419    HB   THR  52           HB       THR  52  -6.790   2.500  -4.763
  420    HG1  THR  52           1HG      THR  52  -8.763   4.492  -4.328
  421   1HG2  THR  52          1HG2      THR  52  -8.236   1.613  -6.455
  422   2HG2  THR  52          2HG2      THR  52  -7.877   3.301  -6.821
  423   3HG2  THR  52          3HG2      THR  52  -9.441   2.859  -6.134
  424    H    MET  53           H        MET  53  -6.324   1.146  -2.859
  425    HA   MET  53           HA       MET  53  -6.279  -1.369  -4.134
  426   1HB   MET  53          2HB       MET  53  -4.330  -1.861  -2.700
  427   2HB   MET  53          1HB       MET  53  -4.213  -0.300  -3.496
  428   1HG   MET  53          2HG       MET  53  -5.053   0.725  -1.359
  429   2HG   MET  53          1HG       MET  53  -4.836  -0.857  -0.614
  430   1HE   MET  53          1HE       MET  53  -1.494  -1.709  -1.850
  431   2HE   MET  53          2HE       MET  53  -2.882  -2.190  -0.875
  432   3HE   MET  53          3HE       MET  53  -1.442  -1.531  -0.097
  433    H    LYS  54           H        LYS  54  -7.086  -0.487  -0.758
  434    HA   LYS  54           HA       LYS  54  -7.400  -3.102   0.195
  435   1HB   LYS  54          2HB       LYS  54  -8.773  -2.132   1.996
  436   2HB   LYS  54          1HB       LYS  54  -7.287  -1.234   1.731
  437   1HG   LYS  54          2HG       LYS  54  -8.655   0.538   1.841
  438   2HG   LYS  54          1HG       LYS  54  -8.959   0.154   0.148
  439   1HD   LYS  54          2HD       LYS  54 -11.058  -0.602   0.556
  440   2HD   LYS  54          1HD       LYS  54 -10.623  -1.274   2.128
  441   1HE   LYS  54          2HE       LYS  54 -10.950   1.667   1.547
  442   2HE   LYS  54          1HE       LYS  54 -12.196   0.642   2.260
  443   1HZ   LYS  54          1HZ       LYS  54  -9.657   0.500   3.617
  444   2HZ   LYS  54          2HZ       LYS  54 -11.211   0.710   4.248
  445   3HZ   LYS  54          3HZ       LYS  54 -10.356   2.040   3.652
  446    H    GLU  55           H        GLU  55  -9.774  -0.954  -1.354
  447    HA   GLU  55           HA       GLU  55 -12.013  -2.634  -1.018
  448   1HB   GLU  55          2HB       GLU  55 -11.535  -0.132  -2.151
  449   2HB   GLU  55          1HB       GLU  55 -12.073  -1.118  -3.504
  450   1HG   GLU  55          2HG       GLU  55 -13.972  -1.822  -1.856
  451   2HG   GLU  55          1HG       GLU  55 -13.532  -0.329  -1.029
  452    H    LYS  56           H        LYS  56  -9.533  -2.455  -3.526
  453    HA   LYS  56           HA       LYS  56 -10.744  -4.323  -5.289
  454   1HB   LYS  56          2HB       LYS  56  -7.840  -3.528  -5.021
  455   2HB   LYS  56          1HB       LYS  56  -8.527  -4.426  -6.366
  456   1HG   LYS  56          2HG       LYS  56  -9.699  -1.780  -5.680
  457   2HG   LYS  56          1HG       LYS  56  -8.139  -1.835  -6.504
  458   1HD   LYS  56          2HD       LYS  56  -9.040  -2.903  -8.381
  459   2HD   LYS  56          1HD       LYS  56 -10.494  -3.400  -7.510
  460   1HE   LYS  56          2HE       LYS  56 -11.494  -1.365  -7.739
  461   2HE   LYS  56          1HE       LYS  56  -9.963  -0.490  -7.731
  462   1HZ   LYS  56          1HZ       LYS  56  -9.693  -1.734 -10.017
  463   2HZ   LYS  56          2HZ       LYS  56 -10.536  -0.272  -9.905
  464   3HZ   LYS  56          3HZ       LYS  56 -11.384  -1.733  -9.967
  465    H    ILE  57           H        ILE  57  -8.390  -4.645  -2.650
  466    HA   ILE  57           HA       ILE  57  -7.682  -7.324  -3.069
  467    HB   ILE  57           HB       ILE  57  -7.881  -5.886  -0.416
  468   1HG1  ILE  57          2HG1      ILE  57  -5.287  -6.355  -1.802
  469   2HG1  ILE  57          1HG1      ILE  57  -6.323  -5.084  -2.442
  470   1HG2  ILE  57          1HG2      ILE  57  -7.678  -8.089   0.206
  471   2HG2  ILE  57          2HG2      ILE  57  -5.983  -7.624   0.062
  472   3HG2  ILE  57          3HG2      ILE  57  -6.764  -8.526  -1.238
  473   1HD1  ILE  57          1HD1      ILE  57  -6.193  -4.805   0.384
  474   2HD1  ILE  57          2HD1      ILE  57  -5.615  -3.706  -0.870
  475   3HD1  ILE  57          3HD1      ILE  57  -4.556  -4.973  -0.250
  476    H    LYS  58           H        LYS  58 -10.409  -5.905  -1.310
  477    HA   LYS  58           HA       LYS  58 -11.387  -8.227  -0.099
  478   1HB   LYS  58          2HB       LYS  58 -12.592  -5.615  -0.903
  479   2HB   LYS  58          1HB       LYS  58 -13.668  -6.916  -0.418
  480   1HG   LYS  58          2HG       LYS  58 -11.398  -5.869   1.260
  481   2HG   LYS  58          1HG       LYS  58 -13.082  -5.365   1.416
  482   1HD   LYS  58          2HD       LYS  58 -13.293  -7.035   2.886
  483   2HD   LYS  58          1HD       LYS  58 -13.243  -8.114   1.490
  484   1HE   LYS  58          2HE       LYS  58 -11.282  -8.955   2.119
  485   2HE   LYS  58          1HE       LYS  58 -10.580  -7.348   2.283
  486   1HZ   LYS  58          1HZ       LYS  58 -12.085  -7.464   4.480
  487   2HZ   LYS  58          2HZ       LYS  58 -10.464  -7.942   4.434
  488   3HZ   LYS  58          3HZ       LYS  58 -11.690  -9.101   4.312
  489    H    ASN  59           H        ASN  59 -11.549  -7.186  -3.424
  490    HA   ASN  59           HA       ASN  59 -13.553  -9.231  -4.060
  491   1HB   ASN  59          2HB       ASN  59 -12.516  -6.794  -5.440
  492   2HB   ASN  59          1HB       ASN  59 -13.142  -8.106  -6.428
  493   1HD2  ASN  59          1HD2      ASN  59 -13.916  -5.404  -4.567
  494   2HD2  ASN  59          2HD2      ASN  59 -15.633  -5.599  -4.552
  495    H    ASN  60           H        ASN  60 -10.620  -9.708  -3.356
  496    HA   ASN  60           HA       ASN  60  -8.936 -11.095  -3.968
  497   1HB   ASN  60          2HB       ASN  60 -11.298 -12.271  -4.989
  498   2HB   ASN  60          1HB       ASN  60 -10.074 -12.430  -6.245
  499   1HD2  ASN  60          1HD2      ASN  60 -10.169 -12.635  -2.698
  500   2HD2  ASN  60          2HD2      ASN  60  -9.310 -14.130  -2.595
  501    H    ASP  61           H        ASP  61  -9.422  -8.469  -5.372
  502    HA   ASP  61           HA       ASP  61  -8.402  -8.759  -8.027
  503   1HB   ASP  61          2HB       ASP  61  -9.756  -6.792  -6.900
  504   2HB   ASP  61          1HB       ASP  61  -8.149  -6.211  -6.475
  505    H    TYR  62           H        TYR  62  -7.052  -7.995  -4.864
  506    HA   TYR  62           HA       TYR  62  -4.352  -8.254  -6.005
  507   1HB   TYR  62          2HB       TYR  62  -5.279  -6.562  -3.676
  508   2HB   TYR  62          1HB       TYR  62  -3.590  -6.813  -4.101
  509    HD1  TYR  62           2HD      TYR  62  -3.108  -6.326  -6.715
  510    HD2  TYR  62           1HD      TYR  62  -6.245  -4.613  -4.410
  511    HE1  TYR  62           2HE      TYR  62  -3.246  -4.456  -8.304
  512    HE2  TYR  62           1HE      TYR  62  -6.389  -2.736  -5.989
  513    HH   TYR  62           HH       TYR  62  -4.826  -1.602  -7.651
  514    H    GLN  63           H        GLN  63  -3.679 -10.241  -5.553
  515    HA   GLN  63           HA       GLN  63  -3.618 -11.107  -2.781
  516   1HB   GLN  63          2HB       GLN  63  -4.590 -13.232  -3.166
  517   2HB   GLN  63          1HB       GLN  63  -5.678 -12.070  -3.907
  518   1HG   GLN  63          2HG       GLN  63  -5.602 -13.316  -5.734
  519   2HG   GLN  63          1HG       GLN  63  -3.944 -12.762  -5.952
  520   1HE2  GLN  63          1HE2      GLN  63  -5.500 -15.050  -3.719
  521   2HE2  GLN  63          2HE2      GLN  63  -4.451 -16.374  -4.082
  522    H    SER  64           H        SER  64  -1.823 -10.178  -5.037
  523    HA   SER  64           HA       SER  64   0.095 -12.393  -4.902
  524   1HB   SER  64          2HB       SER  64   0.292 -10.438  -7.144
  525   2HB   SER  64          1HB       SER  64   0.668 -12.161  -7.115
  526    HG   SER  64           HG       SER  64  -1.176 -11.846  -8.346
  527    H    ILE  65           H        ILE  65   2.064 -11.890  -4.203
  528    HA   ILE  65           HA       ILE  65   2.563  -9.629  -2.701
  529    HB   ILE  65           HB       ILE  65   5.041 -10.270  -3.041
  530   1HG1  ILE  65          2HG1      ILE  65   4.368 -12.983  -3.765
  531   2HG1  ILE  65          1HG1      ILE  65   3.909 -11.876  -5.052
  532   1HG2  ILE  65          1HG2      ILE  65   2.886 -11.763  -1.675
  533   2HG2  ILE  65          2HG2      ILE  65   4.275 -10.908  -1.005
  534   3HG2  ILE  65          3HG2      ILE  65   4.484 -12.506  -1.718
  535   1HD1  ILE  65          1HD1      ILE  65   6.583 -12.607  -4.037
  536   2HD1  ILE  65          2HD1      ILE  65   6.351 -10.947  -4.587
  537   3HD1  ILE  65          3HD1      ILE  65   6.036 -12.293  -5.685
  538    H    GLU  66           H        GLU  66   3.396 -10.274  -6.087
  539    HA   GLU  66           HA       GLU  66   4.866  -7.868  -6.464
  540   1HB   GLU  66          2HB       GLU  66   3.883 -10.072  -8.157
  541   2HB   GLU  66          1HB       GLU  66   4.026  -8.521  -8.972
  542   1HG   GLU  66          2HG       GLU  66   6.243  -9.857  -7.434
  543   2HG   GLU  66          1HG       GLU  66   6.035  -9.929  -9.184
  544    H    GLU  67           H        GLU  67   1.480  -8.782  -7.008
  545    HA   GLU  67           HA       GLU  67   0.716  -6.409  -8.340
  546   1HB   GLU  67          2HB       GLU  67  -0.829  -8.504  -6.823
  547   2HB   GLU  67          1HB       GLU  67  -1.617  -7.133  -7.594
  548   1HG   GLU  67          2HG       GLU  67   0.206  -8.540  -9.373
  549   2HG   GLU  67          1HG       GLU  67  -1.084  -9.567  -8.751
  550    H    LEU  68           H        LEU  68   0.399  -7.387  -4.925
  551    HA   LEU  68           HA       LEU  68  -0.865  -5.011  -4.071
  552   1HB   LEU  68          2HB       LEU  68  -0.406  -5.742  -1.825
  553   2HB   LEU  68          1HB       LEU  68  -0.912  -7.111  -2.797
  554    HG   LEU  68           HG       LEU  68   1.688  -7.477  -3.066
  555   1HD1  LEU  68          1HD1      LEU  68   2.213  -6.787  -0.386
  556   2HD1  LEU  68          2HD1      LEU  68   1.568  -5.347  -1.173
  557   3HD1  LEU  68          3HD1      LEU  68   2.981  -6.160  -1.844
  558   1HD2  LEU  68          1HD2      LEU  68   0.188  -8.159  -0.544
  559   2HD2  LEU  68          2HD2      LEU  68   1.626  -8.979  -1.150
  560   3HD2  LEU  68          3HD2      LEU  68   0.118  -9.055  -2.062
  561    H    LYS  69           H        LYS  69   2.536  -5.934  -4.284
  562    HA   LYS  69           HA       LYS  69   3.514  -3.652  -2.880
  563   1HB   LYS  69          2HB       LYS  69   4.663  -5.949  -4.278
  564   2HB   LYS  69          1HB       LYS  69   5.602  -4.477  -4.488
  565   1HG   LYS  69          2HG       LYS  69   5.384  -4.264  -1.915
  566   2HG   LYS  69          1HG       LYS  69   4.982  -5.980  -1.983
  567   1HD   LYS  69          2HD       LYS  69   7.413  -4.950  -3.391
  568   2HD   LYS  69          1HD       LYS  69   7.455  -5.245  -1.651
  569   1HE   LYS  69          2HE       LYS  69   6.309  -7.534  -2.515
  570   2HE   LYS  69          1HE       LYS  69   7.333  -7.148  -3.898
  571   1HZ   LYS  69          1HZ       LYS  69   9.222  -6.981  -2.363
  572   2HZ   LYS  69          2HZ       LYS  69   8.527  -8.522  -2.344
  573   3HZ   LYS  69          3HZ       LYS  69   8.221  -7.442  -1.078
  574    H    ASP  70           H        ASP  70   3.152  -4.439  -6.326
  575    HA   ASP  70           HA       ASP  70   4.395  -2.177  -7.383
  576   1HB   ASP  70          2HB       ASP  70   3.389  -4.314  -8.544
  577   2HB   ASP  70          1HB       ASP  70   1.958  -3.303  -8.709
  578    H    ASN  71           H        ASN  71   1.017  -2.672  -6.419
  579    HA   ASN  71           HA       ASN  71   0.164  -0.082  -7.225
  580   1HB   ASN  71          2HB       ASN  71  -1.029  -2.385  -5.808
  581   2HB   ASN  71          1HB       ASN  71  -1.734  -0.817  -5.440
  582   1HD2  ASN  71          1HD2      ASN  71  -2.611   0.424  -7.163
  583   2HD2  ASN  71          2HD2      ASN  71  -3.166  -0.346  -8.605
  584    H    PHE  72           H        PHE  72   0.969  -1.454  -4.010
  585    HA   PHE  72           HA       PHE  72   0.445   0.896  -2.549
  586   1HB   PHE  72          2HB       PHE  72   0.695  -1.227  -1.396
  587   2HB   PHE  72          1HB       PHE  72   2.361  -1.371  -1.944
  588    HD1  PHE  72           1HD      PHE  72   0.555   1.539  -0.474
  589    HD2  PHE  72           2HD      PHE  72   3.669  -1.331  -0.021
  590    HE1  PHE  72           1HE      PHE  72   1.327   2.697   1.552
  591    HE2  PHE  72           2HE      PHE  72   4.441  -0.175   2.012
  592    HZ   PHE  72           HZ       PHE  72   3.270   1.843   2.799
  593    H    LYS  73           H        LYS  73   3.473  -0.334  -3.952
  594    HA   LYS  73           HA       LYS  73   5.100   1.807  -3.114
  595   1HB   LYS  73          2HB       LYS  73   5.551  -0.572  -4.407
  596   2HB   LYS  73          1HB       LYS  73   5.857   0.598  -5.682
  597   1HG   LYS  73          2HG       LYS  73   7.300   1.758  -3.804
  598   2HG   LYS  73          1HG       LYS  73   7.322   0.122  -3.138
  599   1HD   LYS  73          2HD       LYS  73   7.893  -0.379  -5.741
  600   2HD   LYS  73          1HD       LYS  73   8.631   1.213  -5.543
  601   1HE   LYS  73          2HE       LYS  73  10.234   0.441  -4.146
  602   2HE   LYS  73          1HE       LYS  73   9.155  -0.725  -3.381
  603   1HZ   LYS  73          1HZ       LYS  73  10.960  -1.752  -4.687
  604   2HZ   LYS  73          2HZ       LYS  73  10.319  -1.061  -6.092
  605   3HZ   LYS  73          3HZ       LYS  73   9.419  -2.201  -5.225
  606    H    LEU  74           H        LEU  74   3.026   1.376  -5.940
  607    HA   LEU  74           HA       LEU  74   3.957   3.519  -7.489
  608   1HB   LEU  74          2HB       LEU  74   1.489   1.902  -7.367
  609   2HB   LEU  74          1HB       LEU  74   1.307   3.491  -8.086
  610    HG   LEU  74           HG       LEU  74   3.435   1.578  -9.016
  611   1HD1  LEU  74          1HD1      LEU  74   1.634   1.297 -10.933
  612   2HD1  LEU  74          2HD1      LEU  74   0.523   1.585  -9.594
  613   3HD1  LEU  74          3HD1      LEU  74   1.664   0.243  -9.521
  614   1HD2  LEU  74          1HD2      LEU  74   3.427   4.083  -9.564
  615   2HD2  LEU  74          2HD2      LEU  74   2.029   3.721 -10.578
  616   3HD2  LEU  74          3HD2      LEU  74   3.579   2.948 -10.905
  617    H    MET  75           H        MET  75   1.424   3.431  -4.976
  618    HA   MET  75           HA       MET  75   0.667   6.141  -5.245
  619   1HB   MET  75          2HB       MET  75  -0.511   4.210  -3.959
  620   2HB   MET  75          1HB       MET  75   0.523   4.694  -2.622
  621   1HG   MET  75          2HG       MET  75  -0.562   7.079  -3.517
  622   2HG   MET  75          1HG       MET  75  -1.888   5.927  -3.649
  623   1HE   MET  75          1HE       MET  75   0.148   7.882  -0.333
  624   2HE   MET  75          2HE       MET  75   0.972   7.105  -1.684
  625   3HE   MET  75          3HE       MET  75   0.803   6.256  -0.147
  626    H    CYS  76           H        CYS  76   3.027   4.526  -3.152
  627    HA   CYS  76           HA       CYS  76   3.796   6.820  -1.696
  628   1HB   CYS  76          2HB       CYS  76   4.944   4.107  -2.152
  629   2HB   CYS  76          1HB       CYS  76   6.012   5.349  -1.510
  630    HG   CYS  76           HG       CYS  76   4.980   5.065   0.684
  631    H    THR  77           H        THR  77   5.065   5.336  -4.659
  632    HA   THR  77           HA       THR  77   7.247   7.127  -4.963
  633    HB   THR  77           HB       THR  77   5.841   5.451  -7.056
  634    HG1  THR  77           1HG      THR  77   6.657   4.041  -5.623
  635   1HG2  THR  77          1HG2      THR  77   7.173   6.468  -8.509
  636   2HG2  THR  77          2HG2      THR  77   8.502   5.610  -7.728
  637   3HG2  THR  77          3HG2      THR  77   8.102   7.257  -7.235
  638    H    ASN  78           H        ASN  78   4.011   7.015  -6.467
  639    HA   ASN  78           HA       ASN  78   4.310   9.331  -8.040
  640   1HB   ASN  78          2HB       ASN  78   1.769   8.135  -6.901
  641   2HB   ASN  78          1HB       ASN  78   1.864   9.283  -8.222
  642   1HD2  ASN  78          1HD2      ASN  78   0.500   7.223  -8.914
  643   2HD2  ASN  78          2HD2      ASN  78   1.391   6.074  -9.838
  644    H    ALA  79           H        ALA  79   3.236   8.796  -4.731
  645    HA   ALA  79           HA       ALA  79   2.315  11.454  -4.269
  646   1HB   ALA  79          1HB       ALA  79   1.432   9.672  -2.934
  647   2HB   ALA  79          2HB       ALA  79   2.323  10.769  -1.879
  648   3HB   ALA  79          3HB       ALA  79   3.045   9.235  -2.367
  649    H    MET  80           H        MET  80   5.357   9.742  -3.530
  650    HA   MET  80           HA       MET  80   6.481  11.972  -2.144
  651   1HB   MET  80          2HB       MET  80   8.514  10.706  -2.040
  652   2HB   MET  80          1HB       MET  80   7.176   9.603  -1.775
  653   1HG   MET  80          2HG       MET  80   8.005   8.298  -3.349
  654   2HG   MET  80          1HG       MET  80   7.663   9.557  -4.531
  655   1HE   MET  80          1HE       MET  80  11.023   9.760  -6.025
  656   2HE   MET  80          2HE       MET  80   9.410  10.471  -6.024
  657   3HE   MET  80          3HE       MET  80   9.602   8.721  -6.117
  658    H    ILE  81           H        ILE  81   6.517  10.919  -5.510
  659    HA   ILE  81           HA       ILE  81   8.642  12.638  -6.311
  660    HB   ILE  81           HB       ILE  81   7.938  10.660  -7.639
  661   1HG1  ILE  81          2HG1      ILE  81   8.037  11.845  -9.883
  662   2HG1  ILE  81          1HG1      ILE  81   7.975  13.361  -8.992
  663   1HG2  ILE  81          1HG2      ILE  81   5.536  10.865  -7.450
  664   2HG2  ILE  81          2HG2      ILE  81   6.009  10.856  -9.148
  665   3HG2  ILE  81          3HG2      ILE  81   5.565  12.371  -8.363
  666   1HD1  ILE  81          1HD1      ILE  81  10.046  12.787  -7.854
  667   2HD1  ILE  81          2HD1      ILE  81  10.252  12.762  -9.606
  668   3HD1  ILE  81          3HD1      ILE  81  10.101  11.249  -8.713
  669    H    TYR  82           H        TYR  82   5.098  12.983  -6.266
  670    HA   TYR  82           HA       TYR  82   5.256  15.643  -7.411
  671   1HB   TYR  82          2HB       TYR  82   3.316  13.946  -7.716
  672   2HB   TYR  82          1HB       TYR  82   2.787  14.492  -6.130
  673    HD1  TYR  82           2HD      TYR  82   4.337  16.619  -8.748
  674    HD2  TYR  82           1HD      TYR  82   0.751  15.544  -6.722
  675    HE1  TYR  82           2HE      TYR  82   3.183  18.519  -9.793
  676    HE2  TYR  82           1HE      TYR  82  -0.409  17.442  -7.768
  677    HH   TYR  82           HH       TYR  82  -0.064  18.839  -9.960
  678    H    ASN  83           H        ASN  83   4.725  14.191  -4.234
  679    HA   ASN  83           HA       ASN  83   4.394  16.808  -3.009
  680   1HB   ASN  83          2HB       ASN  83   3.230  14.457  -2.402
  681   2HB   ASN  83          1HB       ASN  83   4.612  14.380  -1.313
  682   1HD2  ASN  83          1HD2      ASN  83   4.973  16.775  -0.326
  683   2HD2  ASN  83          2HD2      ASN  83   3.555  17.394   0.441
  684    H    LYS  84           H        LYS  84   6.398  17.745  -3.242
  685    HA   LYS  84           HA       LYS  84   8.848  16.496  -2.529
  686   1HB   LYS  84          2HB       LYS  84   8.041  19.377  -2.933
  687   2HB   LYS  84          1HB       LYS  84   9.675  18.928  -2.470
  688   1HG   LYS  84          2HG       LYS  84   8.235  18.096  -4.979
  689   2HG   LYS  84          1HG       LYS  84   9.540  19.277  -4.855
  690   1HD   LYS  84          2HD       LYS  84  10.872  17.307  -3.804
  691   2HD   LYS  84          1HD       LYS  84   9.644  16.296  -4.571
  692   1HE   LYS  84          2HE       LYS  84  10.570  16.560  -6.581
  693   2HE   LYS  84          1HE       LYS  84  10.644  18.310  -6.390
  694   1HZ   LYS  84          1HZ       LYS  84  12.831  17.147  -6.684
  695   2HZ   LYS  84          2HZ       LYS  84  12.615  16.479  -5.145
  696   3HZ   LYS  84          3HZ       LYS  84  12.729  18.158  -5.332
  697    HA   PRO  85           HA       PRO  85   9.106  16.897   1.862
  698   1HB   PRO  85          2HB       PRO  85  11.502  18.206   2.251
  699   2HB   PRO  85          1HB       PRO  85  11.350  16.483   1.903
  700   1HG   PRO  85          2HG       PRO  85  11.973  18.747   0.051
  701   2HG   PRO  85          1HG       PRO  85  12.684  17.123   0.114
  702   1HD   PRO  85          2HD       PRO  85  10.850  17.777  -1.725
  703   2HD   PRO  85          1HD       PRO  85  10.891  16.159  -0.995
  704    H    GLU  86           H        GLU  86   7.281  18.445   1.657
  705    HA   GLU  86           HA       GLU  86   7.893  21.264   1.950
  706   1HB   GLU  86          2HB       GLU  86   5.961  20.385   0.606
  707   2HB   GLU  86          1HB       GLU  86   5.209  19.886   2.113
  708   1HG   GLU  86          2HG       GLU  86   5.276  22.257   2.857
  709   2HG   GLU  86          1HG       GLU  86   5.864  22.694   1.253
  710    H    THR  87           H        THR  87   5.900  18.985   3.858
  711    HA   THR  87           HA       THR  87   6.934  20.242   6.298
  712    HB   THR  87           HB       THR  87   4.625  20.160   7.265
  713    HG1  THR  87           1HG      THR  87   3.932  19.559   4.580
  714   1HG2  THR  87          1HG2      THR  87   4.238  21.845   4.887
  715   2HG2  THR  87          2HG2      THR  87   5.690  22.159   5.836
  716   3HG2  THR  87          3HG2      THR  87   4.104  22.239   6.601
  717    H    ILE  88           H        ILE  88   4.350  17.845   5.967
  718    HA   ILE  88           HA       ILE  88   6.161  15.819   7.098
  719    HB   ILE  88           HB       ILE  88   4.356  14.935   8.475
  720   1HG1  ILE  88          2HG1      ILE  88   2.507  15.843   6.957
  721   2HG1  ILE  88          1HG1      ILE  88   2.220  15.927   8.690
  722   1HG2  ILE  88          1HG2      ILE  88   4.075  17.112   9.934
  723   2HG2  ILE  88          2HG2      ILE  88   5.293  17.731   8.819
  724   3HG2  ILE  88          3HG2      ILE  88   5.631  16.293   9.783
  725   1HD1  ILE  88          1HD1      ILE  88   2.164  18.015   6.772
  726   2HD1  ILE  88          2HD1      ILE  88   3.456  18.350   7.924
  727   3HD1  ILE  88          3HD1      ILE  88   1.810  18.086   8.498
  728    H    TYR  89           H        TYR  89   4.155  16.578   4.522
  729    HA   TYR  89           HA       TYR  89   2.822  14.168   4.002
  730   1HB   TYR  89          2HB       TYR  89   3.680  16.502   2.357
  731   2HB   TYR  89          1HB       TYR  89   3.218  15.029   1.510
  732    HD1  TYR  89           1HD      TYR  89   2.028  17.747   3.682
  733    HD2  TYR  89           2HD      TYR  89   0.930  14.286   1.465
  734    HE1  TYR  89           1HE      TYR  89  -0.341  18.376   3.883
  735    HE2  TYR  89           2HE      TYR  89  -1.441  14.905   1.660
  736    HH   TYR  89           HH       TYR  89  -2.758  16.568   3.632
  737    H    TYR  90           H        TYR  90   6.043  15.295   2.973
  738    HA   TYR  90           HA       TYR  90   6.710  13.039   1.428
  739   1HB   TYR  90          2HB       TYR  90   7.910  15.335   1.620
  740   2HB   TYR  90          1HB       TYR  90   8.767  14.602   2.971
  741    HD1  TYR  90           1HD      TYR  90   7.801  13.483  -0.475
  742    HD2  TYR  90           2HD      TYR  90  10.898  13.934   2.407
  743    HE1  TYR  90           1HE      TYR  90   9.404  12.487  -2.049
  744    HE2  TYR  90           2HE      TYR  90  12.509  12.937   0.841
  745    HH   TYR  90           HH       TYR  90  11.614  11.251  -1.900
  746    H    LYS  91           H        LYS  91   7.262  13.749   4.863
  747    HA   LYS  91           HA       LYS  91   8.690  11.347   5.402
  748   1HB   LYS  91          2HB       LYS  91   7.180  13.123   7.328
  749   2HB   LYS  91          1HB       LYS  91   8.377  11.910   7.760
  750   1HG   LYS  91          2HG       LYS  91  10.096  13.265   7.307
  751   2HG   LYS  91          1HG       LYS  91   9.340  13.899   5.844
  752   1HD   LYS  91          2HD       LYS  91   9.071  15.793   7.006
  753   2HD   LYS  91          1HD       LYS  91   7.765  14.944   7.834
  754   1HE   LYS  91          2HE       LYS  91  10.642  14.963   8.743
  755   2HE   LYS  91          1HE       LYS  91   9.392  16.037   9.368
  756   1HZ   LYS  91          1HZ       LYS  91   9.216  14.398  10.891
  757   2HZ   LYS  91          2HZ       LYS  91   9.818  13.198   9.862
  758   3HZ   LYS  91          3HZ       LYS  91   8.207  13.695   9.727
  759    H    ALA  92           H        ALA  92   5.284  12.270   5.606
  760    HA   ALA  92           HA       ALA  92   4.298  10.072   7.016
  761   1HB   ALA  92          1HB       ALA  92   3.046  12.171   6.384
  762   2HB   ALA  92          2HB       ALA  92   2.147  10.664   6.219
  763   3HB   ALA  92          3HB       ALA  92   2.814  11.454   4.789
  764    H    ALA  93           H        ALA  93   4.762  10.493   3.512
  765    HA   ALA  93           HA       ALA  93   3.745   7.932   2.807
  766   1HB   ALA  93          1HB       ALA  93   4.282   8.457   0.624
  767   2HB   ALA  93          2HB       ALA  93   5.701   9.397   1.085
  768   3HB   ALA  93          3HB       ALA  93   4.085  10.055   1.342
  769    H    LYS  94           H        LYS  94   7.040   9.190   3.276
  770    HA   LYS  94           HA       LYS  94   8.409   6.845   2.553
  771   1HB   LYS  94          2HB       LYS  94   9.196   9.346   3.171
  772   2HB   LYS  94          1HB       LYS  94   9.601   8.534   4.678
  773   1HG   LYS  94          2HG       LYS  94  10.860   6.846   3.291
  774   2HG   LYS  94          1HG       LYS  94  10.631   7.934   1.920
  775   1HD   LYS  94          2HD       LYS  94  12.743   8.495   2.762
  776   2HD   LYS  94          1HD       LYS  94  11.670   9.736   3.415
  777   1HE   LYS  94          2HE       LYS  94  13.039   9.072   5.214
  778   2HE   LYS  94          1HE       LYS  94  11.483   8.290   5.487
  779   1HZ   LYS  94          1HZ       LYS  94  14.066   7.109   4.861
  780   2HZ   LYS  94          2HZ       LYS  94  12.732   6.397   4.104
  781   3HZ   LYS  94          3HZ       LYS  94  12.790   6.498   5.790
  782    H    LYS  95           H        LYS  95   7.347   8.002   5.752
  783    HA   LYS  95           HA       LYS  95   8.399   5.878   7.256
  784   1HB   LYS  95          2HB       LYS  95   7.150   8.189   7.889
  785   2HB   LYS  95          1HB       LYS  95   5.837   7.055   8.171
  786   1HG   LYS  95          2HG       LYS  95   6.695   6.531  10.139
  787   2HG   LYS  95          1HG       LYS  95   8.187   5.996   9.365
  788   1HD   LYS  95          2HD       LYS  95   7.714   8.915   9.815
  789   2HD   LYS  95          1HD       LYS  95   8.241   7.898  11.159
  790   1HE   LYS  95          2HE       LYS  95   9.764   7.475   8.698
  791   2HE   LYS  95          1HE       LYS  95   9.888   9.117   9.330
  792   1HZ   LYS  95          1HZ       LYS  95  11.608   7.627  10.208
  793   2HZ   LYS  95          2HZ       LYS  95  10.414   6.652  10.905
  794   3HZ   LYS  95          3HZ       LYS  95  10.622   8.244  11.437
  795    H    LEU  96           H        LEU  96   5.173   6.317   5.822
  796    HA   LEU  96           HA       LEU  96   4.061   3.905   6.755
  797   1HB   LEU  96          2HB       LEU  96   3.115   6.072   5.410
  798   2HB   LEU  96          1HB       LEU  96   3.139   4.877   4.127
  799    HG   LEU  96           HG       LEU  96   1.715   3.396   5.503
  800   1HD1  LEU  96          1HD1      LEU  96   2.547   4.873   7.631
  801   2HD1  LEU  96          2HD1      LEU  96   1.147   3.800   7.634
  802   3HD1  LEU  96          3HD1      LEU  96   0.933   5.527   7.355
  803   1HD2  LEU  96          1HD2      LEU  96   0.731   4.930   3.865
  804   2HD2  LEU  96          2HD2      LEU  96   0.592   6.166   5.112
  805   3HD2  LEU  96          3HD2      LEU  96  -0.336   4.674   5.244
  806    H    LEU  97           H        LEU  97   5.879   4.679   3.814
  807    HA   LEU  97           HA       LEU  97   5.503   2.299   2.407
  808   1HB   LEU  97          2HB       LEU  97   6.763   4.531   1.794
  809   2HB   LEU  97          1HB       LEU  97   8.167   3.657   2.371
  810    HG   LEU  97           HG       LEU  97   6.360   2.587   0.208
  811   1HD1  LEU  97          1HD1      LEU  97   9.004   3.863  -0.349
  812   2HD1  LEU  97          2HD1      LEU  97   7.548   4.852  -0.243
  813   3HD1  LEU  97          3HD1      LEU  97   7.651   3.560  -1.439
  814   1HD2  LEU  97          1HD2      LEU  97   7.570   0.773   0.842
  815   2HD2  LEU  97          2HD2      LEU  97   8.895   1.740   1.489
  816   3HD2  LEU  97          3HD2      LEU  97   8.748   1.497  -0.252
  817    H    HIS  98           H        HIS  98   7.972   3.130   4.829
  818    HA   HIS  98           HA       HIS  98   9.374   0.684   4.688
  819   1HB   HIS  98          2HB       HIS  98   9.653   3.092   6.089
  820   2HB   HIS  98          1HB       HIS  98   9.466   1.862   7.335
  821    HD1  HIS  98           1HD      HIS  98  11.937   3.355   5.155
  822    HD2  HIS  98           2HD      HIS  98  11.421  -0.332   7.001
  823    HE1  HIS  98           1HE      HIS  98  14.202   2.262   5.117
  824    HE2  HIS  98           2HE      HIS  98  13.838  -0.013   6.136
  825    H    SER  99           H        SER  99   6.687   1.770   6.731
  826    HA   SER  99           HA       SER  99   6.560  -0.409   8.478
  827   1HB   SER  99          2HB       SER  99   4.196   1.169   7.428
  828   2HB   SER  99          1HB       SER  99   4.278   0.265   8.939
  829    HG   SER  99           HG       SER  99   4.737   2.735   8.766
  830    H    GLY 100           H        GLY 100   4.984   0.087   5.323
  831   1HA   GLY 100          2HA       GLY 100   3.524  -2.313   5.267
  832   2HA   GLY 100          1HA       GLY 100   4.021  -1.390   3.856
  833    H    MET 101           H        MET 101   6.822  -1.581   4.189
  834    HA   MET 101           HA       MET 101   7.361  -3.997   2.893
  835   1HB   MET 101          2HB       MET 101   9.012  -1.844   4.116
  836   2HB   MET 101          1HB       MET 101   9.807  -3.379   3.793
  837   1HG   MET 101          2HG       MET 101   8.198  -2.072   1.650
  838   2HG   MET 101          1HG       MET 101   9.822  -1.491   2.010
  839   1HE   MET 101          1HE       MET 101  11.467  -1.945   0.772
  840   2HE   MET 101          2HE       MET 101  10.792  -2.471  -0.771
  841   3HE   MET 101          3HE       MET 101  11.999  -3.461   0.047
  842    H    LYS 102           H        LYS 102   7.712  -3.099   6.313
  843    HA   LYS 102           HA       LYS 102   8.932  -5.520   7.134
  844   1HB   LYS 102          2HB       LYS 102   7.335  -3.489   8.699
  845   2HB   LYS 102          1HB       LYS 102   8.185  -4.843   9.430
  846   1HG   LYS 102          2HG       LYS 102  10.041  -3.647   9.510
  847   2HG   LYS 102          1HG       LYS 102  10.017  -3.473   7.754
  848   1HD   LYS 102          2HD       LYS 102   9.830  -1.277   8.199
  849   2HD   LYS 102          1HD       LYS 102   8.133  -1.659   8.490
  850   1HE   LYS 102          2HE       LYS 102  10.251  -1.709  10.632
  851   2HE   LYS 102          1HE       LYS 102   9.247  -0.303  10.284
  852   1HZ   LYS 102          1HZ       LYS 102   8.542  -2.812  11.585
  853   2HZ   LYS 102          2HZ       LYS 102   7.367  -2.137  10.574
  854   3HZ   LYS 102          3HZ       LYS 102   7.975  -1.246  11.876
  855    H    ILE 103           H        ILE 103   5.542  -4.473   6.995
  856    HA   ILE 103           HA       ILE 103   4.501  -6.826   8.218
  857    HB   ILE 103           HB       ILE 103   3.006  -4.991   6.348
  858   1HG1  ILE 103          2HG1      ILE 103   2.937  -4.714   9.333
  859   2HG1  ILE 103          1HG1      ILE 103   4.254  -3.970   8.435
  860   1HG2  ILE 103          1HG2      ILE 103   2.268  -7.169   8.219
  861   2HG2  ILE 103          2HG2      ILE 103   1.546  -6.702   6.681
  862   3HG2  ILE 103          3HG2      ILE 103   1.195  -5.773   8.138
  863   1HD1  ILE 103          1HD1      ILE 103   2.398  -2.903   7.015
  864   2HD1  ILE 103          2HD1      ILE 103   2.695  -2.271   8.635
  865   3HD1  ILE 103          3HD1      ILE 103   1.332  -3.354   8.346
  866    H    LEU 104           H        LEU 104   5.225  -5.923   4.886
  867    HA   LEU 104           HA       LEU 104   3.855  -8.017   3.600
  868   1HB   LEU 104          2HB       LEU 104   5.619  -5.925   2.856
  869   2HB   LEU 104          1HB       LEU 104   6.264  -7.410   2.188
  870    HG   LEU 104           HG       LEU 104   3.427  -7.265   1.702
  871   1HD1  LEU 104          1HD1      LEU 104   4.380  -4.749   1.828
  872   2HD1  LEU 104          2HD1      LEU 104   3.093  -5.258   0.735
  873   3HD1  LEU 104          3HD1      LEU 104   4.752  -5.140   0.149
  874   1HD2  LEU 104          1HD2      LEU 104   4.139  -7.620  -0.593
  875   2HD2  LEU 104          2HD2      LEU 104   5.037  -8.674   0.497
  876   3HD2  LEU 104          3HD2      LEU 104   5.803  -7.226  -0.159
  877    H    SER 105           H        SER 105   6.837  -7.993   5.388
  878    HA   SER 105           HA       SER 105   8.147 -10.198   4.294
  879   1HB   SER 105          2HB       SER 105   8.133  -9.130   7.123
  880   2HB   SER 105          1HB       SER 105   9.207 -10.417   6.576
  881    HG   SER 105           HG       SER 105  10.164  -8.997   5.155
  882    H    GLN 106           H        GLN 106   5.898 -10.130   7.083
  883    HA   GLN 106           HA       GLN 106   5.897 -12.886   7.560
  884   1HB   GLN 106          2HB       GLN 106   3.675 -12.511   8.646
  885   2HB   GLN 106          1HB       GLN 106   4.946 -11.437   9.207
  886   1HG   GLN 106          2HG       GLN 106   3.997  -9.585   8.251
  887   2HG   GLN 106          1HG       GLN 106   3.156 -10.518   7.015
  888   1HE2  GLN 106          1HE2      GLN 106   2.675  -8.683   9.648
  889   2HE2  GLN 106          2HE2      GLN 106   1.183  -9.343  10.215
  890    H    GLU 107           H        GLU 107   4.058 -10.959   5.262
  891    HA   GLU 107           HA       GLU 107   2.131 -12.813   4.491
  892   1HB   GLU 107          2HB       GLU 107   2.923 -10.286   3.655
  893   2HB   GLU 107          1HB       GLU 107   3.184 -11.295   2.238
  894   1HG   GLU 107          2HG       GLU 107   0.813 -12.151   2.631
  895   2HG   GLU 107          1HG       GLU 107   0.633 -10.773   3.716
  896    H    ARG 108           H        ARG 108   5.543 -12.667   3.698
  897    HA   ARG 108           HA       ARG 108   5.309 -14.677   1.617
  898   1HB   ARG 108          2HB       ARG 108   6.953 -12.728   1.589
  899   2HB   ARG 108          1HB       ARG 108   7.857 -13.595   2.821
  900   1HG   ARG 108          2HG       ARG 108   8.065 -15.506   1.248
  901   2HG   ARG 108          1HG       ARG 108   7.282 -14.518   0.014
  902   1HD   ARG 108          2HD       ARG 108   9.452 -14.060  -0.500
  903   2HD   ARG 108          1HD       ARG 108   9.194 -12.811   0.717
  904    HE   ARG 108           HE       ARG 108  10.184 -15.295   1.782
  905   1HH1  ARG 108          1HH1      ARG 108  11.091 -12.222   0.364
  906   2HH1  ARG 108          2HH1      ARG 108  12.676 -12.232   1.057
  907   1HH2  ARG 108          1HH2      ARG 108  12.280 -15.300   2.689
  908   2HH2  ARG 108          2HH2      ARG 108  13.352 -13.978   2.374
  909    H    LEU 109           H        LEU 109   4.249 -15.839   3.754
  910    HA   LEU 109           HA       LEU 109   6.362 -17.593   4.825
  911   1HB   LEU 109          2HB       LEU 109   4.914 -18.040   6.741
  912   2HB   LEU 109          1HB       LEU 109   5.287 -16.335   6.604
  913    HG   LEU 109           HG       LEU 109   2.981 -16.158   5.418
  914   1HD1  LEU 109          1HD1      LEU 109   1.526 -17.994   6.745
  915   2HD1  LEU 109          2HD1      LEU 109   2.977 -18.936   6.403
  916   3HD1  LEU 109          3HD1      LEU 109   2.074 -18.195   5.081
  917   1HD2  LEU 109          1HD2      LEU 109   3.821 -15.629   7.919
  918   2HD2  LEU 109          2HD2      LEU 109   2.556 -16.808   8.264
  919   3HD2  LEU 109          3HD2      LEU 109   2.174 -15.342   7.361
  920    H    GLU 110           H        GLU 110   5.886 -19.845   5.014
  921    HA   GLU 110           HA       GLU 110   5.195 -21.841   4.173
  922   1HB   GLU 110          2HB       GLU 110   3.123 -20.993   5.433
  923   2HB   GLU 110          1HB       GLU 110   2.462 -20.610   3.850
  924   1HG   GLU 110          2HG       GLU 110   1.732 -22.686   3.684
  925   2HG   GLU 110          1HG       GLU 110   3.400 -23.257   3.702
  926    H    HIS 111           H        HIS 111   6.230 -19.876   2.297
  927    HA   HIS 111           HA       HIS 111   5.323 -21.125  -0.149
  928   1HB   HIS 111          2HB       HIS 111   4.141 -18.731   0.555
  929   2HB   HIS 111          1HB       HIS 111   5.449 -18.215  -0.504
  930    HD1  HIS 111           1HD      HIS 111   4.854 -21.198  -2.064
  931    HD2  HIS 111           2HD      HIS 111   2.485 -17.807  -1.642
  932    HE1  HIS 111           1HE      HIS 111   3.194 -21.298  -3.948
  933    HE2  HIS 111           2HE      HIS 111   1.789 -19.223  -3.691
  934    H    HIS 112           H        HIS 112   6.623 -19.963  -2.075
  935    HA   HIS 112           HA       HIS 112   8.653 -19.750  -3.069
  936   1HB   HIS 112          2HB       HIS 112   8.838 -18.035  -0.652
  937   2HB   HIS 112          1HB       HIS 112  10.354 -18.415  -1.458
  938    HD1  HIS 112           1HD      HIS 112   9.769 -18.149  -4.351
  939    HD2  HIS 112           2HD      HIS 112   8.082 -15.603  -1.532
  940    HE1  HIS 112           1HE      HIS 112   9.120 -16.075  -5.619
  941    HE2  HIS 112           2HE      HIS 112   8.188 -14.513  -3.875
  942    H    HIS 113           H        HIS 113   8.827 -22.090  -2.841
  943    HA   HIS 113           HA       HIS 113  11.328 -22.828  -1.621
  944   1HB   HIS 113          2HB       HIS 113  10.446 -24.606  -0.203
  945   2HB   HIS 113          1HB       HIS 113   9.754 -23.061   0.276
  946    HD1  HIS 113           1HD      HIS 113   7.309 -22.676  -1.205
  947    HD2  HIS 113           2HD      HIS 113   8.535 -26.505  -0.165
  948    HE1  HIS 113           1HE      HIS 113   5.238 -24.092  -1.306
  949    HE2  HIS 113           2HE      HIS 113   5.975 -26.361  -0.497
  950    H    HIS 114           H        HIS 114  11.684 -25.310  -1.956
  951    HA   HIS 114           HA       HIS 114  10.938 -25.878  -4.727
  952   1HB   HIS 114          2HB       HIS 114  13.358 -25.960  -3.757
  953   2HB   HIS 114          1HB       HIS 114  12.869 -27.529  -3.128
  954    HD1  HIS 114           1HD      HIS 114  14.052 -29.142  -4.604
  955    HD2  HIS 114           2HD      HIS 114  12.169 -26.134  -6.769
  956    HE1  HIS 114           1HE      HIS 114  14.335 -29.776  -7.021
  957    HE2  HIS 114           2HE      HIS 114  13.251 -27.905  -8.315
  958    H    HIS 115           H        HIS 115   9.944 -27.765  -5.392
  959    HA   HIS 115           HA       HIS 115   9.351 -29.948  -3.684
  960   1HB   HIS 115          2HB       HIS 115   6.869 -29.620  -3.592
  961   2HB   HIS 115          1HB       HIS 115   7.777 -28.472  -2.616
  962    HD1  HIS 115           1HD      HIS 115   5.239 -28.663  -5.210
  963    HD2  HIS 115           2HD      HIS 115   7.995 -25.842  -3.901
  964    HE1  HIS 115           1HE      HIS 115   4.455 -26.467  -6.154
  965    HE2  HIS 115           2HE      HIS 115   6.181 -24.789  -5.411
  966    H    HIS 116           H        HIS 116   7.747 -31.477  -4.730
  967    HA   HIS 116           HA       HIS 116   8.095 -31.353  -7.647
  968   1HB   HIS 116          2HB       HIS 116   7.829 -33.639  -5.714
  969   2HB   HIS 116          1HB       HIS 116   7.492 -33.869  -7.427
  970    HD1  HIS 116           1HD      HIS 116   9.519 -33.581  -9.075
  971    HD2  HIS 116           2HD      HIS 116  10.509 -33.487  -5.040
  972    HE1  HIS 116           1HE      HIS 116  12.014 -33.875  -8.989
  973    HE2  HIS 116           2HE      HIS 116  12.601 -33.732  -6.542
  Start of MODEL    7
    1   1H    MET   0          1HT       MET   0  -4.508 -17.626  -7.788
    2   2H    MET   0          2HT       MET   0  -4.012 -15.988  -7.884
    3   3H    MET   0          3HT       MET   0  -3.836 -16.855  -6.412
    4    HA   MET   0           HA       MET   0  -2.345 -17.109  -8.919
    5   1HB   MET   0          2HB       MET   0  -1.839 -16.337  -6.093
    6   2HB   MET   0          1HB       MET   0  -0.554 -17.204  -6.921
    7   1HG   MET   0          2HG       MET   0  -0.762 -15.475  -8.759
    8   2HG   MET   0          1HG       MET   0  -1.771 -14.557  -7.644
    9   1HE   MET   0          1HE       MET   0   1.269 -16.676  -7.798
   10   2HE   MET   0          2HE       MET   0   2.432 -15.957  -6.683
   11   3HE   MET   0          3HE       MET   0   2.294 -15.344  -8.331
   12    H    GLU   1           H        GLU   1  -3.257 -18.833  -5.944
   13    HA   GLU   1           HA       GLU   1  -2.230 -21.309  -7.171
   14   1HB   GLU   1          2HB       GLU   1  -1.924 -20.282  -4.374
   15   2HB   GLU   1          1HB       GLU   1  -1.960 -22.016  -4.662
   16   1HG   GLU   1          2HG       GLU   1  -0.077 -21.736  -6.252
   17   2HG   GLU   1          1HG       GLU   1  -0.005 -20.033  -5.803
   18    H    GLU   2           H        GLU   2  -3.215 -23.306  -6.077
   19    HA   GLU   2           HA       GLU   2  -6.064 -23.110  -6.304
   20   1HB   GLU   2          2HB       GLU   2  -4.503 -25.081  -6.961
   21   2HB   GLU   2          1HB       GLU   2  -4.626 -25.535  -5.266
   22   1HG   GLU   2          2HG       GLU   2  -7.129 -25.508  -5.562
   23   2HG   GLU   2          1HG       GLU   2  -6.836 -25.358  -7.294
   24    H    VAL   3           H        VAL   3  -7.325 -22.388  -4.730
   25    HA   VAL   3           HA       VAL   3  -8.241 -21.987  -2.692
   26    HB   VAL   3           HB       VAL   3  -6.759 -24.398  -1.649
   27   1HG1  VAL   3          1HG1      VAL   3  -8.032 -24.169   0.159
   28   2HG1  VAL   3          2HG1      VAL   3  -9.499 -24.079  -0.815
   29   3HG1  VAL   3          3HG1      VAL   3  -8.571 -22.618  -0.482
   30   1HG2  VAL   3          1HG2      VAL   3  -7.709 -25.360  -3.516
   31   2HG2  VAL   3          2HG2      VAL   3  -9.074 -24.243  -3.530
   32   3HG2  VAL   3          3HG2      VAL   3  -9.010 -25.544  -2.340
   33    H    GLU   4           H        GLU   4  -5.422 -21.053  -3.369
   34    HA   GLU   4           HA       GLU   4  -4.478 -20.527  -0.631
   35   1HB   GLU   4          2HB       GLU   4  -3.098 -21.276  -3.037
   36   2HB   GLU   4          1HB       GLU   4  -2.524 -19.704  -2.496
   37   1HG   GLU   4          2HG       GLU   4  -2.754 -21.909  -0.512
   38   2HG   GLU   4          1HG       GLU   4  -1.410 -21.913  -1.654
   39    H    GLN   5           H        GLN   5  -5.678 -19.076  -3.544
   40    HA   GLN   5           HA       GLN   5  -4.746 -16.442  -3.136
   41   1HB   GLN   5          2HB       GLN   5  -6.495 -15.777  -4.726
   42   2HB   GLN   5          1HB       GLN   5  -5.588 -17.164  -5.304
   43   1HG   GLN   5          2HG       GLN   5  -7.497 -18.572  -4.341
   44   2HG   GLN   5          1HG       GLN   5  -8.395 -17.056  -4.259
   45   1HE2  GLN   5          1HE2      GLN   5  -8.212 -19.687  -6.023
   46   2HE2  GLN   5          2HE2      GLN   5  -8.487 -19.059  -7.608
   47    H    THR   6           H        THR   6  -7.632 -18.152  -2.037
   48    HA   THR   6           HA       THR   6  -9.030 -15.946  -1.017
   49    HB   THR   6           HB       THR   6  -9.380 -18.435   0.502
   50    HG1  THR   6           1HG      THR   6  -9.214 -19.708  -1.146
   51   1HG2  THR   6          1HG2      THR   6 -11.266 -17.230   0.702
   52   2HG2  THR   6          2HG2      THR   6 -11.691 -18.077  -0.785
   53   3HG2  THR   6          3HG2      THR   6 -11.057 -16.434  -0.858
   54    HA   PRO   7           HA       PRO   7  -7.084 -17.095   3.356
   55   1HB   PRO   7          2HB       PRO   7  -4.574 -18.259   3.034
   56   2HB   PRO   7          1HB       PRO   7  -6.043 -19.094   3.527
   57   1HG   PRO   7          2HG       PRO   7  -4.760 -18.946   0.849
   58   2HG   PRO   7          1HG       PRO   7  -5.612 -20.298   1.615
   59   1HD   PRO   7          2HD       PRO   7  -6.758 -18.819  -0.308
   60   2HD   PRO   7          1HD       PRO   7  -7.699 -19.465   1.052
   61    H    LEU   8           H        LEU   8  -4.930 -16.501   0.606
   62    HA   LEU   8           HA       LEU   8  -3.078 -14.832   1.854
   63   1HB   LEU   8          2HB       LEU   8  -4.046 -15.059  -0.977
   64   2HB   LEU   8          1HB       LEU   8  -2.906 -13.804  -0.531
   65    HG   LEU   8           HG       LEU   8  -2.390 -16.733  -0.038
   66   1HD1  LEU   8          1HD1      LEU   8  -0.793 -16.373  -2.038
   67   2HD1  LEU   8          2HD1      LEU   8  -1.873 -15.041  -2.452
   68   3HD1  LEU   8          3HD1      LEU   8  -2.500 -16.687  -2.351
   69   1HD2  LEU   8          1HD2      LEU   8  -0.088 -16.027   0.215
   70   2HD2  LEU   8          2HD2      LEU   8  -1.116 -15.126   1.328
   71   3HD2  LEU   8          3HD2      LEU   8  -0.533 -14.360  -0.148
   72    H    GLN   9           H        GLN   9  -6.242 -14.090   0.464
   73    HA   GLN   9           HA       GLN   9  -6.116 -11.292   0.539
   74   1HB   GLN   9          2HB       GLN   9  -7.892 -12.692  -0.569
   75   2HB   GLN   9          1HB       GLN   9  -8.577 -12.979   1.024
   76   1HG   GLN   9          2HG       GLN   9  -8.686 -10.416   1.205
   77   2HG   GLN   9          1HG       GLN   9  -8.458 -10.433  -0.544
   78   1HE2  GLN   9          1HE2      GLN   9 -10.279 -10.323  -1.643
   79   2HE2  GLN   9          2HE2      GLN   9 -11.810 -10.958  -1.151
   80    H    GLU  10           H        GLU  10  -7.090 -13.633   3.019
   81    HA   GLU  10           HA       GLU  10  -7.966 -11.781   4.951
   82   1HB   GLU  10          2HB       GLU  10  -8.473 -14.191   5.048
   83   2HB   GLU  10          1HB       GLU  10  -6.779 -14.533   5.371
   84   1HG   GLU  10          2HG       GLU  10  -7.643 -14.609   7.483
   85   2HG   GLU  10          1HG       GLU  10  -7.144 -12.921   7.394
   86    H    ALA  11           H        ALA  11  -4.795 -13.328   4.465
   87    HA   ALA  11           HA       ALA  11  -3.506 -12.141   6.677
   88   1HB   ALA  11          1HB       ALA  11  -1.874 -12.733   4.279
   89   2HB   ALA  11          2HB       ALA  11  -2.792 -14.074   4.967
   90   3HB   ALA  11          3HB       ALA  11  -1.630 -13.197   5.964
   91    H    LEU  12           H        LEU  12  -3.666 -11.188   3.254
   92    HA   LEU  12           HA       LEU  12  -2.024  -8.910   3.469
   93   1HB   LEU  12          2HB       LEU  12  -4.197  -9.646   1.518
   94   2HB   LEU  12          1HB       LEU  12  -3.247  -8.182   1.365
   95    HG   LEU  12           HG       LEU  12  -1.819 -10.796   1.575
   96   1HD1  LEU  12          1HD1      LEU  12  -3.793 -10.703  -0.212
   97   2HD1  LEU  12          2HD1      LEU  12  -2.252 -11.498  -0.532
   98   3HD1  LEU  12          3HD1      LEU  12  -2.546  -9.868  -1.137
   99   1HD2  LEU  12          1HD2      LEU  12  -0.564  -9.315  -0.301
  100   2HD2  LEU  12          2HD2      LEU  12  -0.206  -9.230   1.425
  101   3HD2  LEU  12          3HD2      LEU  12  -1.278  -8.041   0.686
  102    H    ASN  13           H        ASN  13  -5.542  -9.311   3.764
  103    HA   ASN  13           HA       ASN  13  -6.230  -6.606   3.989
  104   1HB   ASN  13          2HB       ASN  13  -7.509  -9.169   4.856
  105   2HB   ASN  13          1HB       ASN  13  -8.171  -7.650   5.453
  106   1HD2  ASN  13          1HD2      ASN  13  -9.506  -9.509   3.773
  107   2HD2  ASN  13          2HD2      ASN  13  -9.841  -8.714   2.277
  108    H    GLN  14           H        GLN  14  -5.113  -8.924   6.404
  109    HA   GLN  14           HA       GLN  14  -5.582  -7.326   8.683
  110   1HB   GLN  14          2HB       GLN  14  -4.905  -9.876   8.398
  111   2HB   GLN  14          1HB       GLN  14  -3.286  -9.230   8.625
  112   1HG   GLN  14          2HG       GLN  14  -3.819  -9.705  10.781
  113   2HG   GLN  14          1HG       GLN  14  -4.412  -8.047  10.690
  114   1HE2  GLN  14          1HE2      GLN  14  -5.468 -11.401  10.227
  115   2HE2  GLN  14          2HE2      GLN  14  -7.070 -11.160  10.825
  116    H    LEU  15           H        LEU  15  -2.714  -7.752   6.625
  117    HA   LEU  15           HA       LEU  15  -0.969  -6.102   8.077
  118   1HB   LEU  15          2HB       LEU  15  -1.006  -6.629   5.103
  119   2HB   LEU  15          1HB       LEU  15   0.338  -5.952   5.999
  120    HG   LEU  15           HG       LEU  15  -0.773  -8.736   6.367
  121   1HD1  LEU  15          1HD1      LEU  15   1.891  -7.967   5.212
  122   2HD1  LEU  15          2HD1      LEU  15   0.464  -8.231   4.211
  123   3HD1  LEU  15          3HD1      LEU  15   1.104  -9.545   5.199
  124   1HD2  LEU  15          1HD2      LEU  15   1.634  -8.798   7.535
  125   2HD2  LEU  15          2HD2      LEU  15   0.152  -8.412   8.410
  126   3HD2  LEU  15          3HD2      LEU  15   1.208  -7.116   7.850
  127    H    MET  16           H        MET  16  -3.279  -5.352   5.497
  128    HA   MET  16           HA       MET  16  -2.535  -2.643   5.166
  129   1HB   MET  16          2HB       MET  16  -4.467  -4.412   4.066
  130   2HB   MET  16          1HB       MET  16  -5.330  -2.991   4.636
  131   1HG   MET  16          2HG       MET  16  -4.826  -2.370   2.498
  132   2HG   MET  16          1HG       MET  16  -3.456  -1.692   3.374
  133   1HE   MET  16          1HE       MET  16  -0.466  -3.579   2.415
  134   2HE   MET  16          2HE       MET  16  -1.294  -2.485   3.521
  135   3HE   MET  16          3HE       MET  16  -1.017  -2.003   1.848
  136    H    ARG  17           H        ARG  17  -4.862  -4.242   7.307
  137    HA   ARG  17           HA       ARG  17  -6.127  -1.930   8.286
  138   1HB   ARG  17          2HB       ARG  17  -5.690  -4.657   9.498
  139   2HB   ARG  17          1HB       ARG  17  -6.590  -3.395  10.329
  140   1HG   ARG  17          2HG       ARG  17  -7.639  -3.586   7.713
  141   2HG   ARG  17          1HG       ARG  17  -7.489  -5.225   8.345
  142   1HD   ARG  17          2HD       ARG  17  -9.457  -4.822   9.330
  143   2HD   ARG  17          1HD       ARG  17  -8.516  -3.888  10.493
  144    HE   ARG  17           HE       ARG  17  -9.170  -2.227   8.332
  145   1HH1  ARG  17          1HH1      ARG  17 -10.745  -3.866  10.995
  146   2HH1  ARG  17          2HH1      ARG  17 -12.030  -2.711  11.104
  147   1HH2  ARG  17          1HH2      ARG  17 -10.866  -0.708   8.484
  148   2HH2  ARG  17          2HH2      ARG  17 -12.100  -0.923   9.681
  149    H    GLN  18           H        GLN  18  -3.285  -3.708   9.475
  150    HA   GLN  18           HA       GLN  18  -2.819  -1.986  11.696
  151   1HB   GLN  18          2HB       GLN  18  -0.967  -3.893  10.250
  152   2HB   GLN  18          1HB       GLN  18  -0.583  -3.086  11.765
  153   1HG   GLN  18          2HG       GLN  18  -2.404  -4.234  12.875
  154   2HG   GLN  18          1HG       GLN  18  -2.881  -4.987  11.354
  155   1HE2  GLN  18          1HE2      GLN  18  -1.275  -6.402  10.326
  156   2HE2  GLN  18          2HE2      GLN  18  -0.235  -7.338  11.339
  157    H    LEU  19           H        LEU  19  -1.653  -2.098   8.371
  158    HA   LEU  19           HA       LEU  19   0.340  -0.119   8.586
  159   1HB   LEU  19          2HB       LEU  19   0.339  -1.573   6.702
  160   2HB   LEU  19          1HB       LEU  19  -1.299  -1.127   6.268
  161    HG   LEU  19           HG       LEU  19   0.610   1.110   6.267
  162   1HD1  LEU  19          1HD1      LEU  19   0.959  -1.267   4.472
  163   2HD1  LEU  19          2HD1      LEU  19   2.178  -0.392   5.399
  164   3HD1  LEU  19          3HD1      LEU  19   1.448   0.355   3.980
  165   1HD2  LEU  19          1HD2      LEU  19  -1.749   0.150   4.774
  166   2HD2  LEU  19          2HD2      LEU  19  -0.575   1.094   3.857
  167   3HD2  LEU  19          3HD2      LEU  19  -1.321   1.776   5.301
  168    H    GLN  20           H        GLN  20  -3.091   0.078   7.668
  169    HA   GLN  20           HA       GLN  20  -3.107   2.861   7.150
  170   1HB   GLN  20          2HB       GLN  20  -5.062   0.702   7.330
  171   2HB   GLN  20          1HB       GLN  20  -5.691   2.227   7.938
  172   1HG   GLN  20          2HG       GLN  20  -5.003   3.293   5.803
  173   2HG   GLN  20          1HG       GLN  20  -4.546   1.699   5.209
  174   1HE2  GLN  20          1HE2      GLN  20  -6.107   0.267   4.585
  175   2HE2  GLN  20          2HE2      GLN  20  -7.782   0.679   4.466
  176    H    ARG  21           H        ARG  21  -3.767   0.945  10.038
  177    HA   ARG  21           HA       ARG  21  -4.691   3.075  11.660
  178   1HB   ARG  21          2HB       ARG  21  -3.818   0.268  12.102
  179   2HB   ARG  21          1HB       ARG  21  -3.833   1.334  13.499
  180   1HG   ARG  21          2HG       ARG  21  -6.234   1.893  12.824
  181   2HG   ARG  21          1HG       ARG  21  -6.128   0.482  11.769
  182   1HD   ARG  21          2HD       ARG  21  -5.726  -0.967  13.624
  183   2HD   ARG  21          1HD       ARG  21  -5.531   0.399  14.722
  184    HE   ARG  21           HE       ARG  21  -8.107   0.370  13.491
  185   1HH1  ARG  21          1HH1      ARG  21  -6.224  -1.062  16.072
  186   2HH1  ARG  21          2HH1      ARG  21  -7.607  -1.429  17.045
  187   1HH2  ARG  21          1HH2      ARG  21  -9.930  -0.121  14.781
  188   2HH2  ARG  21          2HH2      ARG  21  -9.709  -0.896  16.313
  189    H    LYS  22           H        LYS  22  -1.530   2.240  10.617
  190    HA   LYS  22           HA       LYS  22   0.160   2.813  12.662
  191   1HB   LYS  22          2HB       LYS  22   0.874   2.150  10.408
  192   2HB   LYS  22          1HB       LYS  22   0.455   3.743   9.800
  193   1HG   LYS  22          2HG       LYS  22   2.695   4.000  10.072
  194   2HG   LYS  22          1HG       LYS  22   2.144   4.529  11.661
  195   1HD   LYS  22          2HD       LYS  22   2.989   2.703  12.712
  196   2HD   LYS  22          1HD       LYS  22   2.666   1.635  11.343
  197   1HE   LYS  22          2HE       LYS  22   4.560   2.959  10.175
  198   2HE   LYS  22          1HE       LYS  22   4.992   3.464  11.810
  199   1HZ   LYS  22          1HZ       LYS  22   4.629   0.607  11.156
  200   2HZ   LYS  22          2HZ       LYS  22   5.501   1.302  12.429
  201   3HZ   LYS  22          3HZ       LYS  22   6.101   1.387  10.849
  202    H    ASP  23           H        ASP  23  -0.502   5.395  10.281
  203    HA   ASP  23           HA       ASP  23  -1.574   7.335  11.842
  204   1HB   ASP  23          2HB       ASP  23   1.129   6.873  12.676
  205   2HB   ASP  23          1HB       ASP  23   0.997   8.489  11.993
  206    HA   PRO  24           HA       PRO  24   0.912   9.494   8.233
  207   1HB   PRO  24          2HB       PRO  24   2.101   7.116   6.943
  208   2HB   PRO  24          1HB       PRO  24   2.826   8.687   7.283
  209   1HG   PRO  24          2HG       PRO  24   3.502   6.511   8.686
  210   2HG   PRO  24          1HG       PRO  24   3.390   8.106   9.449
  211   1HD   PRO  24          2HD       PRO  24   1.460   5.829   9.543
  212   2HD   PRO  24          1HD       PRO  24   1.956   6.950  10.825
  213    H    SER  25           H        SER  25  -0.474   6.280   7.963
  214    HA   SER  25           HA       SER  25  -1.369   6.352   5.317
  215   1HB   SER  25          2HB       SER  25  -1.827   4.704   7.667
  216   2HB   SER  25          1HB       SER  25  -3.292   4.883   6.701
  217    HG   SER  25           HG       SER  25  -2.445   3.564   5.320
  218    H    ALA  26           H        ALA  26  -2.653   7.856   8.197
  219    HA   ALA  26           HA       ALA  26  -5.299   8.282   7.519
  220   1HB   ALA  26          1HB       ALA  26  -3.743   9.039   9.586
  221   2HB   ALA  26          2HB       ALA  26  -5.363   9.672   9.288
  222   3HB   ALA  26          3HB       ALA  26  -3.949  10.584   8.759
  223    H    PHE  27           H        PHE  27  -2.444   9.873   6.240
  224    HA   PHE  27           HA       PHE  27  -3.910  12.012   4.997
  225   1HB   PHE  27          2HB       PHE  27  -1.054  11.090   4.904
  226   2HB   PHE  27          1HB       PHE  27  -1.642  12.291   3.761
  227    HD1  PHE  27           1HD      PHE  27  -2.385  11.825   7.392
  228    HD2  PHE  27           2HD      PHE  27  -0.700  14.303   4.367
  229    HE1  PHE  27           1HE      PHE  27  -2.017  13.600   9.054
  230    HE2  PHE  27           2HE      PHE  27  -0.328  16.079   6.027
  231    HZ   PHE  27           HZ       PHE  27  -0.988  15.731   8.373
  232    H    PHE  28           H        PHE  28  -2.799   8.819   4.028
  233    HA   PHE  28           HA       PHE  28  -3.976   9.298   1.364
  234   1HB   PHE  28          2HB       PHE  28  -1.688   7.455   2.097
  235   2HB   PHE  28          1HB       PHE  28  -2.415   7.577   0.499
  236    HD1  PHE  28           2HD      PHE  28  -2.550  10.110  -0.379
  237    HD2  PHE  28           1HD      PHE  28   0.269   8.600   2.431
  238    HE1  PHE  28           2HE      PHE  28  -1.013  11.945  -0.941
  239    HE2  PHE  28           1HE      PHE  28   1.812  10.436   1.874
  240    HZ   PHE  28           HZ       PHE  28   1.171  12.110   0.186
  241    H    SER  29           H        SER  29  -5.400   8.414   3.718
  242    HA   SER  29           HA       SER  29  -5.909   5.580   3.226
  243   1HB   SER  29          2HB       SER  29  -6.060   7.308   5.527
  244   2HB   SER  29          1HB       SER  29  -7.621   6.531   5.267
  245    HG   SER  29           HG       SER  29  -5.785   5.425   6.523
  246    H    PHE  30           H        PHE  30  -6.816   7.971   1.491
  247    HA   PHE  30           HA       PHE  30  -9.499   6.950   1.036
  248   1HB   PHE  30          2HB       PHE  30  -9.002   9.474   2.330
  249   2HB   PHE  30          1HB       PHE  30  -9.747   9.757   0.760
  250    HD1  PHE  30           1HD      PHE  30 -10.152   7.804   3.894
  251    HD2  PHE  30           2HD      PHE  30 -12.044   9.523   0.492
  252    HE1  PHE  30           1HE      PHE  30 -12.354   7.266   4.851
  253    HE2  PHE  30           2HE      PHE  30 -14.249   8.990   1.442
  254    HZ   PHE  30           HZ       PHE  30 -14.407   7.859   3.624
  255    HA   PRO  31           HA       PRO  31  -8.364   7.314  -3.219
  256   1HB   PRO  31          2HB       PRO  31 -11.108   8.320  -3.746
  257   2HB   PRO  31          1HB       PRO  31 -10.276   6.915  -4.421
  258   1HG   PRO  31          2HG       PRO  31 -12.212   6.618  -2.612
  259   2HG   PRO  31          1HG       PRO  31 -10.777   5.575  -2.599
  260   1HD   PRO  31          2HD       PRO  31 -11.441   7.908  -0.846
  261   2HD   PRO  31          1HD       PRO  31 -10.674   6.364  -0.425
  262    H    VAL  32           H        VAL  32  -7.051   8.934  -3.846
  263    HA   VAL  32           HA       VAL  32  -7.308  11.606  -3.159
  264    HB   VAL  32           HB       VAL  32  -5.726  12.127  -5.007
  265   1HG1  VAL  32          1HG1      VAL  32  -5.153   9.952  -3.031
  266   2HG1  VAL  32          2HG1      VAL  32  -4.729  11.662  -2.956
  267   3HG1  VAL  32          3HG1      VAL  32  -3.897  10.594  -4.088
  268   1HG2  VAL  32          1HG2      VAL  32  -4.791   9.736  -5.864
  269   2HG2  VAL  32          2HG2      VAL  32  -5.914  10.757  -6.761
  270   3HG2  VAL  32          3HG2      VAL  32  -6.524   9.426  -5.783
  271    H    THR  33           H        THR  33  -7.991  13.445  -4.186
  272    HA   THR  33           HA       THR  33  -9.411  13.244  -6.711
  273    HB   THR  33           HB       THR  33 -10.960  14.697  -4.663
  274    HG1  THR  33           1HG      THR  33 -10.870  11.864  -4.586
  275   1HG2  THR  33          1HG2      THR  33 -12.660  12.919  -5.783
  276   2HG2  THR  33          2HG2      THR  33 -11.474  13.124  -7.072
  277   3HG2  THR  33          3HG2      THR  33 -12.320  14.527  -6.420
  278    H    ASP  34           H        ASP  34 -10.684  15.825  -6.416
  279    HA   ASP  34           HA       ASP  34  -8.421  17.485  -6.992
  280   1HB   ASP  34          2HB       ASP  34 -11.061  17.456  -7.767
  281   2HB   ASP  34          1HB       ASP  34 -10.999  18.837  -6.681
  282    H    PHE  35           H        PHE  35  -9.704  16.557  -4.094
  283    HA   PHE  35           HA       PHE  35  -8.973  19.099  -2.795
  284   1HB   PHE  35          2HB       PHE  35 -11.312  18.778  -2.447
  285   2HB   PHE  35          1HB       PHE  35 -11.095  17.071  -2.084
  286    HD1  PHE  35           2HD      PHE  35 -10.061  16.398   0.073
  287    HD2  PHE  35           1HD      PHE  35 -11.127  20.428  -0.771
  288    HE1  PHE  35           2HE      PHE  35  -9.970  16.920   2.478
  289    HE2  PHE  35           1HE      PHE  35 -11.038  20.959   1.630
  290    HZ   PHE  35           HZ       PHE  35 -10.460  19.204   3.257
  291    H    ILE  36           H        ILE  36  -9.024  15.566  -2.524
  292    HA   ILE  36           HA       ILE  36  -7.356  15.440  -0.229
  293    HB   ILE  36           HB       ILE  36  -8.279  13.428  -2.258
  294   1HG1  ILE  36          2HG1      ILE  36  -8.623  13.237   0.709
  295   2HG1  ILE  36          1HG1      ILE  36  -9.606  14.382  -0.197
  296   1HG2  ILE  36          1HG2      ILE  36  -6.257  12.986  -0.079
  297   2HG2  ILE  36          2HG2      ILE  36  -6.080  12.680  -1.807
  298   3HG2  ILE  36          3HG2      ILE  36  -7.170  11.685  -0.843
  299   1HD1  ILE  36          1HD1      ILE  36  -9.457  11.424  -0.717
  300   2HD1  ILE  36          2HD1      ILE  36 -10.480  12.584  -1.564
  301   3HD1  ILE  36          3HD1      ILE  36 -10.749  12.257   0.148
  302    H    ALA  37           H        ALA  37  -6.782  15.413  -3.705
  303    HA   ALA  37           HA       ALA  37  -3.879  15.340  -3.184
  304   1HB   ALA  37          1HB       ALA  37  -3.886  14.617  -5.710
  305   2HB   ALA  37          2HB       ALA  37  -5.527  14.103  -5.335
  306   3HB   ALA  37          3HB       ALA  37  -4.167  13.437  -4.433
  307    HA   PRO  38           HA       PRO  38  -3.735  19.354  -5.017
  308   1HB   PRO  38          2HB       PRO  38  -1.131  19.524  -5.670
  309   2HB   PRO  38          1HB       PRO  38  -1.690  19.586  -3.995
  310   1HG   PRO  38          2HG       PRO  38  -0.499  17.313  -5.523
  311   2HG   PRO  38          1HG       PRO  38  -0.242  17.786  -3.835
  312   1HD   PRO  38          2HD       PRO  38  -1.899  15.746  -4.629
  313   2HD   PRO  38          1HD       PRO  38  -2.085  16.645  -3.113
  314    H    GLY  39           H        GLY  39  -3.452  16.657  -6.781
  315   1HA   GLY  39          2HA       GLY  39  -4.445  17.271  -9.129
  316   2HA   GLY  39          1HA       GLY  39  -2.841  17.966  -9.320
  317    H    TYR  40           H        TYR  40  -3.645  14.978  -7.610
  318    HA   TYR  40           HA       TYR  40  -1.597  13.473  -8.768
  319   1HB   TYR  40          2HB       TYR  40  -4.086  12.786  -7.259
  320   2HB   TYR  40          1HB       TYR  40  -3.211  11.491  -8.072
  321    HD1  TYR  40           1HD      TYR  40  -1.945  14.504  -6.271
  322    HD2  TYR  40           2HD      TYR  40  -2.152  10.249  -6.397
  323    HE1  TYR  40           1HE      TYR  40  -0.407  14.377  -4.361
  324    HE2  TYR  40           2HE      TYR  40  -0.618  10.120  -4.489
  325    HH   TYR  40           HH       TYR  40   0.167  11.462  -2.651
  326    H    SER  41           H        SER  41  -5.044  13.641  -9.651
  327    HA   SER  41           HA       SER  41  -4.948  11.746 -11.721
  328   1HB   SER  41          2HB       SER  41  -7.048  12.735 -12.494
  329   2HB   SER  41          1HB       SER  41  -7.037  12.604 -10.738
  330    HG   SER  41           HG       SER  41  -6.825  14.898 -12.345
  331    H    MET  42           H        MET  42  -3.930  15.068 -11.637
  332    HA   MET  42           HA       MET  42  -3.833  15.348 -14.507
  333   1HB   MET  42          2HB       MET  42  -3.834  17.105 -12.301
  334   2HB   MET  42          1HB       MET  42  -2.307  17.359 -13.133
  335   1HG   MET  42          2HG       MET  42  -3.285  18.403 -14.835
  336   2HG   MET  42          1HG       MET  42  -4.568  17.200 -14.953
  337   1HE   MET  42          1HE       MET  42  -5.891  20.585 -15.184
  338   2HE   MET  42          2HE       MET  42  -4.159  20.265 -15.285
  339   3HE   MET  42          3HE       MET  42  -4.790  21.311 -14.013
  340    H    ILE  43           H        ILE  43  -1.517  14.630 -11.927
  341    HA   ILE  43           HA       ILE  43   0.603  14.484 -13.973
  342    HB   ILE  43           HB       ILE  43   0.957  16.141 -12.172
  343   1HG1  ILE  43          2HG1      ILE  43   3.183  14.507 -11.469
  344   2HG1  ILE  43          1HG1      ILE  43   2.757  14.150 -13.139
  345   1HG2  ILE  43          1HG2      ILE  43  -0.150  14.670 -10.414
  346   2HG2  ILE  43          2HG2      ILE  43   1.284  15.573  -9.938
  347   3HG2  ILE  43          3HG2      ILE  43   1.408  13.852 -10.293
  348   1HD1  ILE  43          1HD1      ILE  43   2.816  16.612 -13.578
  349   2HD1  ILE  43          2HD1      ILE  43   4.367  15.878 -13.171
  350   3HD1  ILE  43          3HD1      ILE  43   3.489  16.810 -11.960
  351    H    ILE  44           H        ILE  44  -0.602  12.836 -11.059
  352    HA   ILE  44           HA       ILE  44   0.956  10.461 -11.769
  353    HB   ILE  44           HB       ILE  44  -0.236  11.494  -9.233
  354   1HG1  ILE  44          2HG1      ILE  44   2.105  11.881  -9.652
  355   2HG1  ILE  44          1HG1      ILE  44   1.949  10.719  -8.340
  356   1HG2  ILE  44          1HG2      ILE  44   0.047   8.588  -9.896
  357   2HG2  ILE  44          2HG2      ILE  44  -1.282   9.427  -9.097
  358   3HG2  ILE  44          3HG2      ILE  44   0.234   9.169  -8.242
  359   1HD1  ILE  44          1HD1      ILE  44   3.066  10.393 -11.047
  360   2HD1  ILE  44          2HD1      ILE  44   2.165   9.023 -10.395
  361   3HD1  ILE  44          3HD1      ILE  44   3.554   9.664  -9.517
  362    H    LYS  45           H        LYS  45  -0.237   9.637 -13.444
  363    HA   LYS  45           HA       LYS  45  -2.929   9.472 -13.807
  364   1HB   LYS  45          2HB       LYS  45  -0.618   8.186 -14.900
  365   2HB   LYS  45          1HB       LYS  45  -1.910   7.005 -14.736
  366   1HG   LYS  45          2HG       LYS  45  -3.387   8.342 -16.064
  367   2HG   LYS  45          1HG       LYS  45  -2.222   9.667 -16.105
  368   1HD   LYS  45          2HD       LYS  45  -1.645   8.763 -18.091
  369   2HD   LYS  45          1HD       LYS  45  -0.709   7.651 -17.091
  370   1HE   LYS  45          2HE       LYS  45  -2.625   6.090 -17.094
  371   2HE   LYS  45          1HE       LYS  45  -3.494   7.192 -18.161
  372   1HZ   LYS  45          1HZ       LYS  45  -2.293   5.263 -19.240
  373   2HZ   LYS  45          2HZ       LYS  45  -0.850   6.071 -18.885
  374   3HZ   LYS  45          3HZ       LYS  45  -1.995   6.794 -19.898
  375    H    HIS  46           H        HIS  46  -1.093   6.654 -12.548
  376    HA   HIS  46           HA       HIS  46  -3.563   5.867 -11.154
  377   1HB   HIS  46          2HB       HIS  46  -2.260   4.446 -13.067
  378   2HB   HIS  46          1HB       HIS  46  -1.520   3.791 -11.611
  379    HD1  HIS  46           1HD      HIS  46  -3.213   1.923 -13.250
  380    HD2  HIS  46           2HD      HIS  46  -4.773   4.284 -10.207
  381    HE1  HIS  46           1HE      HIS  46  -5.333   0.778 -12.530
  382    HE2  HIS  46           2HE      HIS  46  -6.302   2.267 -10.743
  383    HA   PRO  47           HA       PRO  47  -0.678   6.561  -7.673
  384   1HB   PRO  47          2HB       PRO  47  -2.496   7.621  -5.993
  385   2HB   PRO  47          1HB       PRO  47  -1.699   8.579  -7.245
  386   1HG   PRO  47          2HG       PRO  47  -4.450   7.443  -7.188
  387   2HG   PRO  47          1HG       PRO  47  -3.874   8.967  -7.883
  388   1HD   PRO  47          2HD       PRO  47  -4.401   6.647  -9.318
  389   2HD   PRO  47          1HD       PRO  47  -3.399   7.998  -9.880
  390    H    MET  48           H        MET  48  -4.003   5.371  -7.429
  391    HA   MET  48           HA       MET  48  -4.974   3.701  -6.240
  392   1HB   MET  48          2HB       MET  48  -2.225   2.495  -6.585
  393   2HB   MET  48          1HB       MET  48  -3.638   1.606  -6.033
  394   1HG   MET  48          2HG       MET  48  -4.203   3.014  -8.480
  395   2HG   MET  48          1HG       MET  48  -2.790   1.978  -8.661
  396   1HE   MET  48          1HE       MET  48  -6.938   0.913  -7.298
  397   2HE   MET  48          2HE       MET  48  -5.780   1.984  -6.513
  398   3HE   MET  48          3HE       MET  48  -5.773   0.261  -6.146
  399    H    ASP  49           H        ASP  49  -5.187   5.103  -4.414
  400    HA   ASP  49           HA       ASP  49  -3.266   5.151  -2.312
  401   1HB   ASP  49          2HB       ASP  49  -6.172   5.958  -2.452
  402   2HB   ASP  49          1HB       ASP  49  -5.211   6.128  -0.988
  403    H    PHE  50           H        PHE  50  -4.057   4.561   0.000
  404    HA   PHE  50           HA       PHE  50  -4.224   1.754   0.154
  405   1HB   PHE  50          2HB       PHE  50  -4.900   3.694   2.372
  406   2HB   PHE  50          1HB       PHE  50  -4.359   2.025   2.541
  407    HD1  PHE  50           2HD      PHE  50  -2.129   1.934   0.622
  408    HD2  PHE  50           1HD      PHE  50  -3.252   4.949   3.407
  409    HE1  PHE  50           2HE      PHE  50   0.200   2.714   0.709
  410    HE2  PHE  50           1HE      PHE  50  -0.925   5.732   3.503
  411    HZ   PHE  50           HZ       PHE  50   0.805   4.617   2.150
  412    H    SER  51           H        SER  51  -6.711   4.247   0.275
  413    HA   SER  51           HA       SER  51  -8.800   2.545   1.202
  414   1HB   SER  51          2HB       SER  51  -8.809   5.075   1.285
  415   2HB   SER  51          1HB       SER  51  -9.128   5.060  -0.446
  416    HG   SER  51           HG       SER  51 -10.749   3.948   1.602
  417    H    THR  52           H        THR  52  -7.685   3.561  -2.007
  418    HA   THR  52           HA       THR  52  -9.751   2.204  -3.434
  419    HB   THR  52           HB       THR  52  -7.026   3.022  -4.465
  420    HG1  THR  52           1HG      THR  52  -7.829   4.897  -3.770
  421   1HG2  THR  52          1HG2      THR  52  -8.809   1.590  -5.827
  422   2HG2  THR  52          2HG2      THR  52  -7.791   2.819  -6.576
  423   3HG2  THR  52          3HG2      THR  52  -9.454   3.202  -6.132
  424    H    MET  53           H        MET  53  -6.460   1.404  -2.437
  425    HA   MET  53           HA       MET  53  -6.276  -1.057  -3.827
  426   1HB   MET  53          2HB       MET  53  -4.763   0.287  -1.650
  427   2HB   MET  53          1HB       MET  53  -4.576  -1.456  -1.788
  428   1HG   MET  53          2HG       MET  53  -3.657  -1.304  -3.931
  429   2HG   MET  53          1HG       MET  53  -4.213   0.355  -4.147
  430   1HE   MET  53          1HE       MET  53  -1.653  -0.634  -0.701
  431   2HE   MET  53          2HE       MET  53  -0.854  -1.507  -2.008
  432   3HE   MET  53          3HE       MET  53  -2.559  -1.798  -1.666
  433    H    LYS  54           H        LYS  54  -7.279  -0.213  -0.524
  434    HA   LYS  54           HA       LYS  54  -7.625  -2.809   0.460
  435   1HB   LYS  54          2HB       LYS  54  -8.617  -0.116   1.201
  436   2HB   LYS  54          1HB       LYS  54  -9.523  -1.484   1.835
  437   1HG   LYS  54          2HG       LYS  54  -6.746  -1.986   2.206
  438   2HG   LYS  54          1HG       LYS  54  -7.116  -0.367   2.799
  439   1HD   LYS  54          2HD       LYS  54  -7.621  -1.551   4.677
  440   2HD   LYS  54          1HD       LYS  54  -9.185  -1.651   3.868
  441   1HE   LYS  54          2HE       LYS  54  -8.894  -3.859   3.285
  442   2HE   LYS  54          1HE       LYS  54  -7.135  -3.743   3.310
  443   1HZ   LYS  54          1HZ       LYS  54  -8.315  -5.013   5.182
  444   2HZ   LYS  54          2HZ       LYS  54  -8.686  -3.486   5.806
  445   3HZ   LYS  54          3HZ       LYS  54  -7.071  -3.946   5.600
  446    H    GLU  55           H        GLU  55  -9.901  -0.685  -1.249
  447    HA   GLU  55           HA       GLU  55 -12.145  -2.384  -1.079
  448   1HB   GLU  55          2HB       GLU  55 -11.832   0.122  -1.925
  449   2HB   GLU  55          1HB       GLU  55 -11.755  -0.671  -3.491
  450   1HG   GLU  55          2HG       GLU  55 -13.952  -0.946  -3.549
  451   2HG   GLU  55          1HG       GLU  55 -13.971  -1.665  -1.941
  452    H    LYS  56           H        LYS  56  -9.449  -2.195  -3.327
  453    HA   LYS  56           HA       LYS  56 -10.454  -4.013  -5.253
  454   1HB   LYS  56          2HB       LYS  56  -7.836  -2.769  -4.632
  455   2HB   LYS  56          1HB       LYS  56  -7.794  -4.257  -5.565
  456   1HG   LYS  56          2HG       LYS  56  -9.729  -2.824  -6.860
  457   2HG   LYS  56          1HG       LYS  56  -8.600  -1.566  -6.350
  458   1HD   LYS  56          2HD       LYS  56  -6.836  -3.334  -7.275
  459   2HD   LYS  56          1HD       LYS  56  -8.220  -3.809  -8.260
  460   1HE   LYS  56          2HE       LYS  56  -8.433  -1.577  -9.127
  461   2HE   LYS  56          1HE       LYS  56  -7.183  -0.989  -8.033
  462   1HZ   LYS  56          1HZ       LYS  56  -5.923  -1.294  -9.869
  463   2HZ   LYS  56          2HZ       LYS  56  -6.921  -2.497 -10.514
  464   3HZ   LYS  56          3HZ       LYS  56  -5.827  -2.879  -9.284
  465    H    ILE  57           H        ILE  57  -8.407  -4.426  -2.369
  466    HA   ILE  57           HA       ILE  57  -7.769  -7.131  -2.759
  467    HB   ILE  57           HB       ILE  57  -8.269  -6.233   0.039
  468   1HG1  ILE  57          2HG1      ILE  57  -6.176  -5.053  -1.784
  469   2HG1  ILE  57          1HG1      ILE  57  -7.300  -4.218  -0.720
  470   1HG2  ILE  57          1HG2      ILE  57  -6.432  -7.589   0.547
  471   2HG2  ILE  57          2HG2      ILE  57  -5.834  -7.553  -1.112
  472   3HG2  ILE  57          3HG2      ILE  57  -7.293  -8.462  -0.720
  473   1HD1  ILE  57          1HD1      ILE  57  -5.833  -5.783   1.007
  474   2HD1  ILE  57          2HD1      ILE  57  -5.611  -4.058   0.705
  475   3HD1  ILE  57          3HD1      ILE  57  -4.648  -5.240  -0.181
  476    H    LYS  58           H        LYS  58 -10.583  -5.614  -1.243
  477    HA   LYS  58           HA       LYS  58 -11.776  -7.921  -0.196
  478   1HB   LYS  58          2HB       LYS  58 -13.102  -5.418  -1.258
  479   2HB   LYS  58          1HB       LYS  58 -13.888  -6.634  -0.261
  480   1HG   LYS  58          2HG       LYS  58 -11.730  -6.026   1.268
  481   2HG   LYS  58          1HG       LYS  58 -12.051  -4.476   0.488
  482   1HD   LYS  58          2HD       LYS  58 -14.558  -5.196   1.194
  483   2HD   LYS  58          1HD       LYS  58 -13.630  -5.961   2.486
  484   1HE   LYS  58          2HE       LYS  58 -12.445  -3.565   2.476
  485   2HE   LYS  58          1HE       LYS  58 -14.030  -3.092   1.867
  486   1HZ   LYS  58          1HZ       LYS  58 -13.268  -4.063   4.505
  487   2HZ   LYS  58          2HZ       LYS  58 -14.758  -4.604   3.915
  488   3HZ   LYS  58          3HZ       LYS  58 -14.460  -2.946   4.064
  489    H    ASN  59           H        ASN  59 -11.589  -6.762  -3.485
  490    HA   ASN  59           HA       ASN  59 -13.597  -8.706  -4.371
  491   1HB   ASN  59          2HB       ASN  59 -12.398  -6.239  -5.541
  492   2HB   ASN  59          1HB       ASN  59 -12.973  -7.483  -6.643
  493   1HD2  ASN  59          1HD2      ASN  59 -13.834  -4.789  -4.892
  494   2HD2  ASN  59          2HD2      ASN  59 -15.551  -4.970  -4.949
  495    H    ASN  60           H        ASN  60 -10.719  -9.301  -3.491
  496    HA   ASN  60           HA       ASN  60  -9.067 -10.754  -4.063
  497   1HB   ASN  60          2HB       ASN  60 -11.399 -11.716  -5.350
  498   2HB   ASN  60          1HB       ASN  60 -10.089 -11.854  -6.517
  499   1HD2  ASN  60          1HD2      ASN  60  -9.894 -12.117  -2.999
  500   2HD2  ASN  60          2HD2      ASN  60  -9.375 -13.761  -2.978
  501    H    ASP  61           H        ASP  61  -9.353  -8.016  -5.348
  502    HA   ASP  61           HA       ASP  61  -8.019  -8.274  -7.888
  503   1HB   ASP  61          2HB       ASP  61  -8.499  -5.841  -6.154
  504   2HB   ASP  61          1HB       ASP  61  -7.893  -5.804  -7.801
  505    H    TYR  62           H        TYR  62  -7.112  -7.868  -4.553
  506    HA   TYR  62           HA       TYR  62  -4.286  -7.686  -5.358
  507   1HB   TYR  62          2HB       TYR  62  -5.771  -6.377  -3.098
  508   2HB   TYR  62          1HB       TYR  62  -4.038  -6.654  -2.986
  509    HD1  TYR  62           2HD      TYR  62  -2.687  -5.826  -5.147
  510    HD2  TYR  62           1HD      TYR  62  -6.479  -4.352  -3.912
  511    HE1  TYR  62           2HE      TYR  62  -2.286  -3.753  -6.403
  512    HE2  TYR  62           1HE      TYR  62  -6.087  -2.277  -5.168
  513    HH   TYR  62           HH       TYR  62  -4.085  -1.877  -7.491
  514    H    GLN  63           H        GLN  63  -3.709  -9.801  -5.268
  515    HA   GLN  63           HA       GLN  63  -3.612 -11.027  -2.642
  516   1HB   GLN  63          2HB       GLN  63  -4.682 -13.045  -3.240
  517   2HB   GLN  63          1HB       GLN  63  -5.737 -11.768  -3.823
  518   1HG   GLN  63          2HG       GLN  63  -4.576 -12.060  -6.070
  519   2HG   GLN  63          1HG       GLN  63  -3.931 -13.560  -5.404
  520   1HE2  GLN  63          1HE2      GLN  63  -5.373 -13.888  -7.564
  521   2HE2  GLN  63          2HE2      GLN  63  -6.951 -14.494  -7.213
  522    H    SER  64           H        SER  64  -1.829  -9.903  -4.829
  523    HA   SER  64           HA       SER  64   0.010 -12.186  -4.954
  524   1HB   SER  64          2HB       SER  64  -0.063 -10.092  -7.120
  525   2HB   SER  64          1HB       SER  64   0.630 -11.711  -7.171
  526    HG   SER  64           HG       SER  64  -1.600 -11.128  -8.169
  527    H    ILE  65           H        ILE  65   1.987 -11.771  -4.229
  528    HA   ILE  65           HA       ILE  65   2.613  -9.545  -2.727
  529    HB   ILE  65           HB       ILE  65   4.999 -10.286  -2.941
  530   1HG1  ILE  65          2HG1      ILE  65   3.815 -12.504  -4.620
  531   2HG1  ILE  65          1HG1      ILE  65   4.828 -11.205  -5.243
  532   1HG2  ILE  65          1HG2      ILE  65   4.712 -11.995  -1.442
  533   2HG2  ILE  65          2HG2      ILE  65   3.348 -12.679  -2.324
  534   3HG2  ILE  65          3HG2      ILE  65   3.133 -11.212  -1.371
  535   1HD1  ILE  65          1HD1      ILE  65   6.223 -13.080  -4.997
  536   2HD1  ILE  65          2HD1      ILE  65   5.599 -13.429  -3.385
  537   3HD1  ILE  65          3HD1      ILE  65   6.611 -12.008  -3.652
  538    H    GLU  66           H        GLU  66   3.289 -10.191  -6.139
  539    HA   GLU  66           HA       GLU  66   4.886  -7.871  -6.551
  540   1HB   GLU  66          2HB       GLU  66   4.367  -8.321  -9.003
  541   2HB   GLU  66          1HB       GLU  66   5.195  -9.597  -8.125
  542   1HG   GLU  66          2HG       GLU  66   2.304  -9.886  -8.037
  543   2HG   GLU  66          1HG       GLU  66   2.939  -9.877  -9.680
  544    H    GLU  67           H        GLU  67   1.430  -8.570  -6.940
  545    HA   GLU  67           HA       GLU  67   0.763  -6.118  -8.193
  546   1HB   GLU  67          2HB       GLU  67  -0.691  -8.098  -8.281
  547   2HB   GLU  67          1HB       GLU  67  -0.971  -7.977  -6.551
  548   1HG   GLU  67          2HG       GLU  67  -2.755  -6.756  -7.027
  549   2HG   GLU  67          1HG       GLU  67  -1.655  -5.474  -7.528
  550    H    LEU  68           H        LEU  68   0.580  -7.200  -4.806
  551    HA   LEU  68           HA       LEU  68  -0.441  -4.787  -3.759
  552   1HB   LEU  68          2HB       LEU  68   0.927  -7.179  -2.618
  553   2HB   LEU  68          1HB       LEU  68   0.812  -5.745  -1.620
  554    HG   LEU  68           HG       LEU  68  -1.011  -7.149  -1.041
  555   1HD1  LEU  68          1HD1      LEU  68  -2.275  -5.159  -2.892
  556   2HD1  LEU  68          2HD1      LEU  68  -1.423  -4.660  -1.434
  557   3HD1  LEU  68          3HD1      LEU  68  -2.831  -5.714  -1.312
  558   1HD2  LEU  68          1HD2      LEU  68  -0.929  -8.504  -3.133
  559   2HD2  LEU  68          2HD2      LEU  68  -1.836  -7.223  -3.936
  560   3HD2  LEU  68          3HD2      LEU  68  -2.557  -8.102  -2.588
  561    H    LYS  69           H        LYS  69   2.872  -5.944  -4.239
  562    HA   LYS  69           HA       LYS  69   4.124  -3.772  -2.896
  563   1HB   LYS  69          2HB       LYS  69   5.010  -6.036  -4.598
  564   2HB   LYS  69          1HB       LYS  69   6.093  -4.656  -4.492
  565   1HG   LYS  69          2HG       LYS  69   6.557  -5.005  -2.287
  566   2HG   LYS  69          1HG       LYS  69   4.997  -5.764  -1.965
  567   1HD   LYS  69          2HD       LYS  69   6.045  -7.563  -3.672
  568   2HD   LYS  69          1HD       LYS  69   7.526  -6.945  -2.933
  569   1HE   LYS  69          2HE       LYS  69   5.859  -7.302  -0.774
  570   2HE   LYS  69          1HE       LYS  69   5.440  -8.658  -1.817
  571   1HZ   LYS  69          1HZ       LYS  69   7.432  -8.754  -0.097
  572   2HZ   LYS  69          2HZ       LYS  69   8.283  -8.125  -1.416
  573   3HZ   LYS  69          3HZ       LYS  69   7.468  -9.599  -1.562
  574    H    ASP  70           H        ASP  70   3.553  -4.459  -6.350
  575    HA   ASP  70           HA       ASP  70   4.879  -2.201  -7.352
  576   1HB   ASP  70          2HB       ASP  70   3.969  -4.278  -8.603
  577   2HB   ASP  70          1HB       ASP  70   2.464  -3.369  -8.709
  578    H    ASN  71           H        ASN  71   1.446  -2.651  -6.519
  579    HA   ASN  71           HA       ASN  71   0.702  -0.012  -7.289
  580   1HB   ASN  71          2HB       ASN  71  -0.666  -2.180  -5.712
  581   2HB   ASN  71          1HB       ASN  71  -1.389  -0.582  -5.890
  582   1HD2  ASN  71          1HD2      ASN  71  -1.946   0.147  -7.992
  583   2HD2  ASN  71          2HD2      ASN  71  -2.240  -0.979  -9.268
  584    H    PHE  72           H        PHE  72   1.383  -1.516  -4.128
  585    HA   PHE  72           HA       PHE  72   0.815   0.729  -2.541
  586   1HB   PHE  72          2HB       PHE  72   1.091  -1.483  -1.561
  587   2HB   PHE  72          1HB       PHE  72   2.774  -1.532  -2.066
  588    HD1  PHE  72           1HD      PHE  72   0.425   0.437   0.052
  589    HD2  PHE  72           2HD      PHE  72   4.429  -0.861  -0.592
  590    HE1  PHE  72           1HE      PHE  72   1.092   1.429   2.203
  591    HE2  PHE  72           2HE      PHE  72   5.098   0.129   1.556
  592    HZ   PHE  72           HZ       PHE  72   3.430   1.277   2.956
  593    H    LYS  73           H        LYS  73   3.905  -0.394  -3.909
  594    HA   LYS  73           HA       LYS  73   5.445   1.765  -2.943
  595   1HB   LYS  73          2HB       LYS  73   6.076  -0.583  -4.107
  596   2HB   LYS  73          1HB       LYS  73   6.291   0.490  -5.481
  597   1HG   LYS  73          2HG       LYS  73   7.625   1.869  -3.591
  598   2HG   LYS  73          1HG       LYS  73   7.875   0.220  -3.015
  599   1HD   LYS  73          2HD       LYS  73   9.503   0.003  -4.513
  600   2HD   LYS  73          1HD       LYS  73   8.295   0.141  -5.790
  601   1HE   LYS  73          2HE       LYS  73   8.775   2.335  -6.198
  602   2HE   LYS  73          1HE       LYS  73   9.273   2.648  -4.536
  603   1HZ   LYS  73          1HZ       LYS  73  10.835   1.648  -6.787
  604   2HZ   LYS  73          2HZ       LYS  73  11.199   1.000  -5.267
  605   3HZ   LYS  73          3HZ       LYS  73  11.294   2.670  -5.520
  606    H    LEU  74           H        LEU  74   3.554   1.323  -5.892
  607    HA   LEU  74           HA       LEU  74   4.568   3.482  -7.357
  608   1HB   LEU  74          2HB       LEU  74   2.219   1.754  -7.477
  609   2HB   LEU  74          1HB       LEU  74   1.887   3.380  -8.041
  610    HG   LEU  74           HG       LEU  74   4.208   1.778  -9.095
  611   1HD1  LEU  74          1HD1      LEU  74   2.605   1.447 -11.089
  612   2HD1  LEU  74          2HD1      LEU  74   1.327   1.721  -9.905
  613   3HD1  LEU  74          3HD1      LEU  74   2.455   0.382  -9.692
  614   1HD2  LEU  74          1HD2      LEU  74   3.899   4.355  -9.350
  615   2HD2  LEU  74          2HD2      LEU  74   2.695   3.899 -10.556
  616   3HD2  LEU  74          3HD2      LEU  74   4.371   3.382 -10.743
  617    H    MET  75           H        MET  75   1.844   3.388  -5.026
  618    HA   MET  75           HA       MET  75   1.185   6.130  -5.363
  619   1HB   MET  75          2HB       MET  75  -0.147   4.174  -4.181
  620   2HB   MET  75          1HB       MET  75   0.676   4.780  -2.750
  621   1HG   MET  75          2HG       MET  75  -0.811   6.664  -4.546
  622   2HG   MET  75          1HG       MET  75  -1.671   5.689  -3.352
  623   1HE   MET  75          1HE       MET  75  -0.897   5.578  -0.841
  624   2HE   MET  75          2HE       MET  75  -0.048   6.875  -0.003
  625   3HE   MET  75          3HE       MET  75   0.852   5.737  -1.004
  626    H    CYS  76           H        CYS  76   3.310   4.423  -3.092
  627    HA   CYS  76           HA       CYS  76   3.963   6.611  -1.456
  628   1HB   CYS  76          2HB       CYS  76   5.214   3.980  -2.072
  629   2HB   CYS  76          1HB       CYS  76   6.234   5.196  -1.314
  630    HG   CYS  76           HG       CYS  76   3.628   4.740   0.189
  631    H    THR  77           H        THR  77   5.496   5.374  -4.412
  632    HA   THR  77           HA       THR  77   7.524   7.384  -4.497
  633    HB   THR  77           HB       THR  77   6.477   5.639  -6.738
  634    HG1  THR  77           1HG      THR  77   7.235   4.264  -5.221
  635   1HG2  THR  77          1HG2      THR  77   8.864   5.885  -7.549
  636   2HG2  THR  77          2HG2      THR  77   8.984   7.252  -6.443
  637   3HG2  THR  77          3HG2      THR  77   7.802   7.278  -7.751
  638    H    ASN  78           H        ASN  78   4.307   7.018  -5.892
  639    HA   ASN  78           HA       ASN  78   4.411   9.243  -7.640
  640   1HB   ASN  78          2HB       ASN  78   2.150   7.682  -6.403
  641   2HB   ASN  78          1HB       ASN  78   1.861   9.060  -7.448
  642   1HD2  ASN  78          1HD2      ASN  78   0.709   7.185  -8.518
  643   2HD2  ASN  78          2HD2      ASN  78   1.577   6.310  -9.714
  644    H    ALA  79           H        ALA  79   3.566   8.851  -4.247
  645    HA   ALA  79           HA       ALA  79   2.408  11.442  -3.937
  646   1HB   ALA  79          1HB       ALA  79   3.503   9.559  -1.848
  647   2HB   ALA  79          2HB       ALA  79   1.836   9.618  -2.421
  648   3HB   ALA  79          3HB       ALA  79   2.512  10.985  -1.536
  649    H    MET  80           H        MET  80   5.626  10.066  -3.300
  650    HA   MET  80           HA       MET  80   6.677  12.457  -2.169
  651   1HB   MET  80          2HB       MET  80   8.861  11.387  -2.353
  652   2HB   MET  80          1HB       MET  80   7.674  10.268  -1.701
  653   1HG   MET  80          2HG       MET  80   7.459   9.241  -3.926
  654   2HG   MET  80          1HG       MET  80   8.713  10.325  -4.525
  655   1HE   MET  80          1HE       MET  80  11.374   8.319  -4.677
  656   2HE   MET  80          2HE       MET  80  11.788   9.522  -3.457
  657   3HE   MET  80          3HE       MET  80  10.694   9.946  -4.773
  658    H    ILE  81           H        ILE  81   6.609  11.140  -5.457
  659    HA   ILE  81           HA       ILE  81   8.392  13.037  -6.571
  660    HB   ILE  81           HB       ILE  81   7.837  10.945  -7.734
  661   1HG1  ILE  81          2HG1      ILE  81   7.417  11.999 -10.021
  662   2HG1  ILE  81          1HG1      ILE  81   7.289  13.538  -9.174
  663   1HG2  ILE  81          1HG2      ILE  81   5.743  10.655  -8.906
  664   2HG2  ILE  81          2HG2      ILE  81   5.158  12.205  -8.299
  665   3HG2  ILE  81          3HG2      ILE  81   5.448  10.871  -7.182
  666   1HD1  ILE  81          1HD1      ILE  81   9.587  12.393 -10.167
  667   2HD1  ILE  81          2HD1      ILE  81   9.680  12.083  -8.434
  668   3HD1  ILE  81          3HD1      ILE  81   9.493  13.734  -9.026
  669    H    TYR  82           H        TYR  82   4.831  12.995  -6.264
  670    HA   TYR  82           HA       TYR  82   4.749  15.726  -7.320
  671   1HB   TYR  82          2HB       TYR  82   3.146  13.964  -8.160
  672   2HB   TYR  82          1HB       TYR  82   2.396  13.984  -6.568
  673    HD1  TYR  82           1HD      TYR  82   3.682  16.910  -8.476
  674    HD2  TYR  82           2HD      TYR  82   0.256  14.817  -7.068
  675    HE1  TYR  82           1HE      TYR  82   2.255  18.783  -9.181
  676    HE2  TYR  82           2HE      TYR  82  -1.178  16.681  -7.772
  677    HH   TYR  82           HH       TYR  82  -0.434  18.895  -9.869
  678    H    ASN  83           H        ASN  83   5.931  15.268  -4.748
  679    HA   ASN  83           HA       ASN  83   4.613  17.277  -3.261
  680   1HB   ASN  83          2HB       ASN  83   3.266  15.044  -2.841
  681   2HB   ASN  83          1HB       ASN  83   4.596  14.697  -1.740
  682   1HD2  ASN  83          1HD2      ASN  83   1.637  16.218  -2.092
  683   2HD2  ASN  83          2HD2      ASN  83   1.662  17.170  -0.652
  684    H    LYS  84           H        LYS  84   6.661  18.181  -3.270
  685    HA   LYS  84           HA       LYS  84   9.014  16.853  -2.426
  686   1HB   LYS  84          2HB       LYS  84   8.213  19.633  -3.045
  687   2HB   LYS  84          1HB       LYS  84   9.571  19.471  -1.941
  688   1HG   LYS  84          2HG       LYS  84  10.202  17.696  -3.939
  689   2HG   LYS  84          1HG       LYS  84   9.425  19.018  -4.812
  690   1HD   LYS  84          2HD       LYS  84  10.989  20.592  -4.046
  691   2HD   LYS  84          1HD       LYS  84  11.560  19.525  -2.761
  692   1HE   LYS  84          2HE       LYS  84  12.165  17.987  -4.843
  693   2HE   LYS  84          1HE       LYS  84  12.220  19.550  -5.657
  694   1HZ   LYS  84          1HZ       LYS  84  14.344  18.615  -4.558
  695   2HZ   LYS  84          2HZ       LYS  84  13.659  19.169  -3.114
  696   3HZ   LYS  84          3HZ       LYS  84  13.977  20.257  -4.369
  697    HA   PRO  85           HA       PRO  85   8.969  16.975   1.983
  698   1HB   PRO  85          2HB       PRO  85  11.266  18.325   2.666
  699   2HB   PRO  85          1HB       PRO  85  11.220  16.634   2.156
  700   1HG   PRO  85          2HG       PRO  85  11.871  19.080   0.561
  701   2HG   PRO  85          1HG       PRO  85  12.660  17.491   0.547
  702   1HD   PRO  85          2HD       PRO  85  10.938  18.218  -1.373
  703   2HD   PRO  85          1HD       PRO  85  11.009  16.547  -0.780
  704    H    GLU  86           H        GLU  86   7.101  18.476   1.715
  705    HA   GLU  86           HA       GLU  86   7.520  21.286   2.188
  706   1HB   GLU  86          2HB       GLU  86   5.424  19.660   1.224
  707   2HB   GLU  86          1HB       GLU  86   4.813  20.424   2.684
  708   1HG   GLU  86          2HG       GLU  86   5.877  22.570   1.525
  709   2HG   GLU  86          1HG       GLU  86   5.556  21.613   0.081
  710    H    THR  87           H        THR  87   5.626  18.868   4.011
  711    HA   THR  87           HA       THR  87   6.661  20.011   6.508
  712    HB   THR  87           HB       THR  87   4.365  19.876   7.484
  713    HG1  THR  87           1HG      THR  87   3.658  19.348   4.790
  714   1HG2  THR  87          1HG2      THR  87   3.516  21.686   5.548
  715   2HG2  THR  87          2HG2      THR  87   5.273  21.832   5.594
  716   3HG2  THR  87          3HG2      THR  87   4.333  22.043   7.070
  717    H    ILE  88           H        ILE  88   4.066  17.649   6.095
  718    HA   ILE  88           HA       ILE  88   5.864  15.566   7.146
  719    HB   ILE  88           HB       ILE  88   2.918  15.734   7.770
  720   1HG1  ILE  88          2HG1      ILE  88   4.478  16.244  10.088
  721   2HG1  ILE  88          1HG1      ILE  88   5.051  17.335   8.834
  722   1HG2  ILE  88          1HG2      ILE  88   3.232  13.684   8.563
  723   2HG2  ILE  88          2HG2      ILE  88   4.368  14.343   9.741
  724   3HG2  ILE  88          3HG2      ILE  88   4.952  13.763   8.181
  725   1HD1  ILE  88          1HD1      ILE  88   2.236  17.074   9.861
  726   2HD1  ILE  88          2HD1      ILE  88   2.713  18.080   8.492
  727   3HD1  ILE  88          3HD1      ILE  88   3.345  18.424  10.101
  728    H    TYR  89           H        TYR  89   4.031  16.463   4.505
  729    HA   TYR  89           HA       TYR  89   2.706  14.087   3.797
  730   1HB   TYR  89          2HB       TYR  89   3.900  16.190   1.975
  731   2HB   TYR  89          1HB       TYR  89   2.727  14.971   1.495
  732    HD1  TYR  89           1HD      TYR  89   0.425  15.033   2.581
  733    HD2  TYR  89           2HD      TYR  89   3.206  18.241   2.871
  734    HE1  TYR  89           1HE      TYR  89  -1.407  16.559   3.173
  735    HE2  TYR  89           2HE      TYR  89   1.381  19.775   3.468
  736    HH   TYR  89           HH       TYR  89  -0.950  19.552   4.520
  737    H    TYR  90           H        TYR  90   5.966  15.267   2.985
  738    HA   TYR  90           HA       TYR  90   6.706  13.041   1.405
  739   1HB   TYR  90          2HB       TYR  90   7.841  15.333   1.521
  740   2HB   TYR  90          1HB       TYR  90   8.641  14.742   2.972
  741    HD1  TYR  90           1HD      TYR  90  10.045  12.597   2.756
  742    HD2  TYR  90           2HD      TYR  90   8.728  14.871  -0.592
  743    HE1  TYR  90           1HE      TYR  90  11.787  11.556   1.369
  744    HE2  TYR  90           2HE      TYR  90  10.467  13.834  -1.987
  745    HH   TYR  90           HH       TYR  90  11.898  11.199  -1.485
  746    H    LYS  91           H        LYS  91   7.344  13.816   4.821
  747    HA   LYS  91           HA       LYS  91   8.819  11.487   5.403
  748   1HB   LYS  91          2HB       LYS  91   7.152  13.154   7.297
  749   2HB   LYS  91          1HB       LYS  91   8.415  12.020   7.754
  750   1HG   LYS  91          2HG       LYS  91   9.216  14.146   5.875
  751   2HG   LYS  91          1HG       LYS  91   8.796  14.667   7.509
  752   1HD   LYS  91          2HD       LYS  91  10.347  12.601   8.144
  753   2HD   LYS  91          1HD       LYS  91  11.046  12.970   6.566
  754   1HE   LYS  91          2HE       LYS  91  10.712  14.919   8.846
  755   2HE   LYS  91          1HE       LYS  91  12.219  14.130   8.382
  756   1HZ   LYS  91          1HZ       LYS  91  12.376  16.157   7.336
  757   2HZ   LYS  91          2HZ       LYS  91  10.726  16.244   6.978
  758   3HZ   LYS  91          3HZ       LYS  91  11.727  15.206   6.096
  759    H    ALA  92           H        ALA  92   5.355  12.212   5.728
  760    HA   ALA  92           HA       ALA  92   4.560   9.857   7.006
  761   1HB   ALA  92          1HB       ALA  92   3.118  11.838   6.737
  762   2HB   ALA  92          2HB       ALA  92   2.320  10.352   6.223
  763   3HB   ALA  92          3HB       ALA  92   2.960  11.469   5.019
  764    H    ALA  93           H        ALA  93   4.797  10.593   3.529
  765    HA   ALA  93           HA       ALA  93   3.815   8.125   2.594
  766   1HB   ALA  93          1HB       ALA  93   4.269   8.904   0.512
  767   2HB   ALA  93          2HB       ALA  93   5.860   9.516   0.965
  768   3HB   ALA  93          3HB       ALA  93   4.412  10.430   1.384
  769    H    LYS  94           H        LYS  94   7.132   9.234   3.241
  770    HA   LYS  94           HA       LYS  94   8.422   6.872   2.382
  771   1HB   LYS  94          2HB       LYS  94   9.355   9.274   2.975
  772   2HB   LYS  94          1HB       LYS  94   9.600   8.549   4.559
  773   1HG   LYS  94          2HG       LYS  94  11.622   8.124   3.598
  774   2HG   LYS  94          1HG       LYS  94  10.755   6.651   3.156
  775   1HD   LYS  94          2HD       LYS  94  10.123   7.928   1.008
  776   2HD   LYS  94          1HD       LYS  94  11.428   9.029   1.452
  777   1HE   LYS  94          2HE       LYS  94  11.798   6.049   1.226
  778   2HE   LYS  94          1HE       LYS  94  12.034   7.148  -0.132
  779   1HZ   LYS  94          1HZ       LYS  94  14.114   6.640   1.009
  780   2HZ   LYS  94          2HZ       LYS  94  13.502   7.282   2.450
  781   3HZ   LYS  94          3HZ       LYS  94  13.749   8.289   1.113
  782    H    LYS  95           H        LYS  95   7.409   7.962   5.624
  783    HA   LYS  95           HA       LYS  95   8.366   5.741   7.050
  784   1HB   LYS  95          2HB       LYS  95   6.402   7.905   7.565
  785   2HB   LYS  95          1HB       LYS  95   6.281   6.474   8.579
  786   1HG   LYS  95          2HG       LYS  95   8.931   6.925   8.721
  787   2HG   LYS  95          1HG       LYS  95   8.342   8.574   8.499
  788   1HD   LYS  95          2HD       LYS  95   8.135   8.503  10.750
  789   2HD   LYS  95          1HD       LYS  95   6.606   7.712  10.367
  790   1HE   LYS  95          2HE       LYS  95   7.632   6.354  11.999
  791   2HE   LYS  95          1HE       LYS  95   7.873   5.519  10.465
  792   1HZ   LYS  95          1HZ       LYS  95   9.919   7.307  11.652
  793   2HZ   LYS  95          2HZ       LYS  95  10.115   6.199  10.390
  794   3HZ   LYS  95          3HZ       LYS  95   9.862   5.647  11.968
  795    H    LEU  96           H        LEU  96   5.285   6.300   5.403
  796    HA   LEU  96           HA       LEU  96   3.938   4.014   6.349
  797   1HB   LEU  96          2HB       LEU  96   3.201   6.132   4.861
  798   2HB   LEU  96          1HB       LEU  96   3.378   4.942   3.586
  799    HG   LEU  96           HG       LEU  96   1.057   5.170   4.452
  800   1HD1  LEU  96          1HD1      LEU  96   2.061   2.426   5.092
  801   2HD1  LEU  96          2HD1      LEU  96   2.107   3.053   3.443
  802   3HD1  LEU  96          3HD1      LEU  96   0.568   2.911   4.291
  803   1HD2  LEU  96          1HD2      LEU  96   0.512   4.976   6.607
  804   2HD2  LEU  96          2HD2      LEU  96   2.230   5.200   6.931
  805   3HD2  LEU  96          3HD2      LEU  96   1.554   3.574   6.840
  806    H    LEU  97           H        LEU  97   6.054   4.531   3.552
  807    HA   LEU  97           HA       LEU  97   5.716   2.027   2.323
  808   1HB   LEU  97          2HB       LEU  97   6.885   4.091   1.394
  809   2HB   LEU  97          1HB       LEU  97   8.279   3.616   2.341
  810    HG   LEU  97           HG       LEU  97   8.365   2.970  -0.080
  811   1HD1  LEU  97          1HD1      LEU  97   9.433   1.735   2.012
  812   2HD1  LEU  97          2HD1      LEU  97   9.626   1.140   0.364
  813   3HD1  LEU  97          3HD1      LEU  97   8.415   0.421   1.425
  814   1HD2  LEU  97          1HD2      LEU  97   6.682   0.615   0.323
  815   2HD2  LEU  97          2HD2      LEU  97   6.828   1.684  -1.071
  816   3HD2  LEU  97          3HD2      LEU  97   5.792   2.137   0.283
  817    H    HIS  98           H        HIS  98   7.965   3.117   4.840
  818    HA   HIS  98           HA       HIS  98   9.504   0.780   5.023
  819   1HB   HIS  98          2HB       HIS  98   9.187   3.226   6.530
  820   2HB   HIS  98          1HB       HIS  98   9.350   1.852   7.620
  821    HD1  HIS  98           1HD      HIS  98  11.129   2.418   4.312
  822    HD2  HIS  98           2HD      HIS  98  11.959   2.025   8.365
  823    HE1  HIS  98           1HE      HIS  98  13.636   2.385   4.484
  824    HE2  HIS  98           2HE      HIS  98  14.113   2.049   6.934
  825    H    SER  99           H        SER  99   6.467   1.702   6.582
  826    HA   SER  99           HA       SER  99   6.319  -0.600   8.264
  827   1HB   SER  99          2HB       SER  99   5.067   1.347   8.917
  828   2HB   SER  99          1HB       SER  99   4.235   1.405   7.364
  829    HG   SER  99           HG       SER  99   4.000  -0.856   9.036
  830    H    GLY 100           H        GLY 100   5.012   0.236   5.076
  831   1HA   GLY 100          2HA       GLY 100   3.423  -2.102   4.783
  832   2HA   GLY 100          1HA       GLY 100   3.934  -1.032   3.489
  833    H    MET 101           H        MET 101   6.761  -1.332   3.801
  834    HA   MET 101           HA       MET 101   7.140  -3.703   2.309
  835   1HB   MET 101          2HB       MET 101   9.498  -3.146   2.356
  836   2HB   MET 101          1HB       MET 101   8.552  -1.708   2.032
  837   1HG   MET 101          2HG       MET 101   8.824  -1.004   4.347
  838   2HG   MET 101          1HG       MET 101   9.757  -2.459   4.688
  839   1HE   MET 101          1HE       MET 101  12.979  -1.951   2.607
  840   2HE   MET 101          2HE       MET 101  11.535  -2.564   1.803
  841   3HE   MET 101          3HE       MET 101  11.921  -3.086   3.442
  842    H    LYS 102           H        LYS 102   7.829  -2.875   5.706
  843    HA   LYS 102           HA       LYS 102   9.105  -5.339   6.293
  844   1HB   LYS 102          2HB       LYS 102   8.771  -4.726   8.677
  845   2HB   LYS 102          1HB       LYS 102   9.537  -3.464   7.726
  846   1HG   LYS 102          2HG       LYS 102   8.065  -2.168   8.818
  847   2HG   LYS 102          1HG       LYS 102   6.992  -2.678   7.516
  848   1HD   LYS 102          2HD       LYS 102   5.667  -3.148   9.321
  849   2HD   LYS 102          1HD       LYS 102   6.516  -4.686   9.166
  850   1HE   LYS 102          2HE       LYS 102   6.704  -4.231  11.427
  851   2HE   LYS 102          1HE       LYS 102   8.231  -3.631  10.786
  852   1HZ   LYS 102          1HZ       LYS 102   6.752  -1.440  10.599
  853   2HZ   LYS 102          2HZ       LYS 102   7.646  -1.827  11.983
  854   3HZ   LYS 102          3HZ       LYS 102   5.991  -2.167  11.926
  855    H    ILE 103           H        ILE 103   5.734  -4.230   6.726
  856    HA   ILE 103           HA       ILE 103   4.842  -6.593   7.983
  857    HB   ILE 103           HB       ILE 103   2.568  -5.863   7.335
  858   1HG1  ILE 103          2HG1      ILE 103   2.716  -3.324   6.443
  859   2HG1  ILE 103          1HG1      ILE 103   4.114  -4.012   5.630
  860   1HG2  ILE 103          1HG2      ILE 103   4.267  -4.782   9.186
  861   2HG2  ILE 103          2HG2      ILE 103   2.524  -4.522   9.113
  862   3HG2  ILE 103          3HG2      ILE 103   3.619  -3.359   8.370
  863   1HD1  ILE 103          1HD1      ILE 103   1.252  -4.449   5.165
  864   2HD1  ILE 103          2HD1      ILE 103   2.267  -5.889   5.075
  865   3HD1  ILE 103          3HD1      ILE 103   2.610  -4.502   4.042
  866    H    LEU 104           H        LEU 104   5.162  -5.647   4.605
  867    HA   LEU 104           HA       LEU 104   3.670  -7.771   3.487
  868   1HB   LEU 104          2HB       LEU 104   5.667  -5.813   2.495
  869   2HB   LEU 104          1HB       LEU 104   5.416  -7.249   1.522
  870    HG   LEU 104           HG       LEU 104   3.020  -5.700   2.391
  871   1HD1  LEU 104          1HD1      LEU 104   3.338  -3.918   1.065
  872   2HD1  LEU 104          2HD1      LEU 104   4.195  -4.849  -0.162
  873   3HD1  LEU 104          3HD1      LEU 104   5.046  -4.297   1.279
  874   1HD2  LEU 104          1HD2      LEU 104   3.568  -6.912  -0.292
  875   2HD2  LEU 104          2HD2      LEU 104   2.023  -6.625   0.508
  876   3HD2  LEU 104          3HD2      LEU 104   3.082  -7.919   1.073
  877    H    SER 105           H        SER 105   6.984  -7.512   4.612
  878    HA   SER 105           HA       SER 105   7.999  -9.859   3.410
  879   1HB   SER 105          2HB       SER 105   8.859  -8.050   5.607
  880   2HB   SER 105          1HB       SER 105   9.569  -9.665   5.571
  881    HG   SER 105           HG       SER 105  10.863  -8.788   4.161
  882    H    GLN 106           H        GLN 106   5.920  -9.373   6.140
  883    HA   GLN 106           HA       GLN 106   6.457 -11.640   7.674
  884   1HB   GLN 106          2HB       GLN 106   4.637  -9.599   7.795
  885   2HB   GLN 106          1HB       GLN 106   3.606 -10.973   7.420
  886   1HG   GLN 106          2HG       GLN 106   3.583 -11.398   9.593
  887   2HG   GLN 106          1HG       GLN 106   5.256 -11.926   9.416
  888   1HE2  GLN 106          1HE2      GLN 106   3.149  -9.636  10.787
  889   2HE2  GLN 106          2HE2      GLN 106   4.345  -8.616  11.504
  890    H    GLU 107           H        GLU 107   4.650 -11.294   4.679
  891    HA   GLU 107           HA       GLU 107   3.457 -13.881   4.719
  892   1HB   GLU 107          2HB       GLU 107   3.025 -11.668   3.247
  893   2HB   GLU 107          1HB       GLU 107   4.015 -12.576   2.112
  894   1HG   GLU 107          2HG       GLU 107   1.978 -14.253   3.264
  895   2HG   GLU 107          1HG       GLU 107   1.276 -12.810   2.537
  896    H    ARG 108           H        ARG 108   6.610 -12.706   3.849
  897    HA   ARG 108           HA       ARG 108   7.272 -15.100   2.328
  898   1HB   ARG 108          2HB       ARG 108   8.649 -12.501   2.892
  899   2HB   ARG 108          1HB       ARG 108   9.598 -13.880   2.356
  900   1HG   ARG 108          2HG       ARG 108   7.725 -13.969   0.483
  901   2HG   ARG 108          1HG       ARG 108   7.603 -12.255   0.885
  902   1HD   ARG 108          2HD       ARG 108   9.608 -11.767  -0.021
  903   2HD   ARG 108          1HD       ARG 108  10.345 -13.261   0.556
  904    HE   ARG 108           HE       ARG 108   8.486 -13.636  -1.610
  905   1HH1  ARG 108          1HH1      ARG 108  11.819 -12.927  -0.788
  906   2HH1  ARG 108          2HH1      ARG 108  12.441 -13.501  -2.297
  907   1HH2  ARG 108          1HH2      ARG 108   9.319 -14.389  -3.599
  908   2HH2  ARG 108          2HH2      ARG 108  11.025 -14.329  -3.891
  909    H    LEU 109           H        LEU 109   6.644 -15.365   5.203
  910    HA   LEU 109           HA       LEU 109   8.681 -17.162   5.930
  911   1HB   LEU 109          2HB       LEU 109   9.324 -14.497   6.533
  912   2HB   LEU 109          1HB       LEU 109   8.821 -15.207   8.056
  913    HG   LEU 109           HG       LEU 109  10.735 -16.807   6.462
  914   1HD1  LEU 109          1HD1      LEU 109  11.818 -14.784   6.039
  915   2HD1  LEU 109          2HD1      LEU 109  12.615 -15.408   7.484
  916   3HD1  LEU 109          3HD1      LEU 109  11.411 -14.126   7.624
  917   1HD2  LEU 109          1HD2      LEU 109  10.457 -16.067   9.370
  918   2HD2  LEU 109          2HD2      LEU 109  11.715 -17.119   8.724
  919   3HD2  LEU 109          3HD2      LEU 109  10.023 -17.599   8.615
  920    H    GLU 110           H        GLU 110   7.813 -18.624   7.283
  921    HA   GLU 110           HA       GLU 110   5.577 -17.786   9.008
  922   1HB   GLU 110          2HB       GLU 110   5.643 -19.896   6.928
  923   2HB   GLU 110          1HB       GLU 110   4.855 -20.325   8.441
  924   1HG   GLU 110          2HG       GLU 110   4.069 -17.716   7.375
  925   2HG   GLU 110          1HG       GLU 110   3.656 -19.083   6.341
  926    H    HIS 111           H        HIS 111   7.526 -20.717   8.366
  927    HA   HIS 111           HA       HIS 111   7.460 -21.567  11.076
  928   1HB   HIS 111          2HB       HIS 111   9.406 -22.418   8.921
  929   2HB   HIS 111          1HB       HIS 111   9.021 -23.296  10.395
  930    HD1  HIS 111           1HD      HIS 111   8.652 -24.398   7.442
  931    HD2  HIS 111           2HD      HIS 111   5.653 -22.857   9.871
  932    HE1  HIS 111           1HE      HIS 111   6.510 -25.388   6.576
  933    HE2  HIS 111           2HE      HIS 111   4.700 -24.338   7.979
  934    H    HIS 112           H        HIS 112   8.441 -20.541  12.686
  935    HA   HIS 112           HA       HIS 112  11.013 -19.207  12.184
  936   1HB   HIS 112          2HB       HIS 112   8.704 -18.628  13.935
  937   2HB   HIS 112          1HB       HIS 112  10.285 -18.341  14.653
  938    HD1  HIS 112           1HD      HIS 112   8.501 -15.955  14.192
  939    HD2  HIS 112           2HD      HIS 112  11.201 -17.335  11.350
  940    HE1  HIS 112           1HE      HIS 112   8.972 -13.987  12.697
  941    HE2  HIS 112           2HE      HIS 112  10.700 -14.815  11.064
  942    H    HIS 113           H        HIS 113  12.756 -19.475  13.613
  943    HA   HIS 113           HA       HIS 113  12.585 -21.863  15.335
  944   1HB   HIS 113          2HB       HIS 113  14.598 -21.065  13.303
  945   2HB   HIS 113          1HB       HIS 113  15.214 -21.803  14.777
  946    HD1  HIS 113           1HD      HIS 113  13.435 -24.069  15.347
  947    HD2  HIS 113           2HD      HIS 113  14.392 -23.004  11.445
  948    HE1  HIS 113           1HE      HIS 113  13.034 -26.133  13.969
  949    HE2  HIS 113           2HE      HIS 113  13.534 -25.441  11.599
  950    H    HIS 114           H        HIS 114  14.223 -18.738  14.866
  951    HA   HIS 114           HA       HIS 114  14.549 -18.576  17.784
  952   1HB   HIS 114          2HB       HIS 114  16.644 -18.776  15.893
  953   2HB   HIS 114          1HB       HIS 114  16.635 -17.106  16.449
  954    HD1  HIS 114           1HD      HIS 114  15.743 -19.963  18.732
  955    HD2  HIS 114           2HD      HIS 114  18.917 -17.380  17.999
  956    HE1  HIS 114           1HE      HIS 114  17.346 -20.306  20.638
  957    HE2  HIS 114           2HE      HIS 114  19.222 -18.678  20.214
  958    H    HIS 115           H        HIS 115  15.115 -16.489  14.943
  959    HA   HIS 115           HA       HIS 115  12.964 -14.743  15.438
  960   1HB   HIS 115          2HB       HIS 115  15.104 -14.311  17.196
  961   2HB   HIS 115          1HB       HIS 115  15.260 -13.052  15.974
  962    HD1  HIS 115           1HD      HIS 115  12.375 -14.498  18.011
  963    HD2  HIS 115           2HD      HIS 115  13.882 -10.854  16.700
  964    HE1  HIS 115           1HE      HIS 115  10.824 -12.754  18.947
  965    HE2  HIS 115           2HE      HIS 115  11.706 -10.563  18.068
  966    H    HIS 116           H        HIS 116  16.317 -14.869  14.254
  967    HA   HIS 116           HA       HIS 116  15.384 -13.661  11.736
  968   1HB   HIS 116          2HB       HIS 116  17.716 -12.980  13.444
  969   2HB   HIS 116          1HB       HIS 116  17.991 -12.983  11.706
  970    HD1  HIS 116           1HD      HIS 116  15.685 -11.641  10.506
  971    HD2  HIS 116           2HD      HIS 116  17.172 -10.452  14.201
  972    HE1  HIS 116           1HE      HIS 116  14.898  -9.274  10.817
  973    HE2  HIS 116           2HE      HIS 116  15.891  -8.541  13.014
  Start of MODEL    8
    1   1H    MET   0          1HT       MET   0  -0.205 -28.796  -7.516
    2   2H    MET   0          2HT       MET   0  -0.690 -28.425  -5.911
    3   3H    MET   0          3HT       MET   0   0.574 -27.536  -6.656
    4    HA   MET   0           HA       MET   0  -1.032 -26.804  -8.343
    5   1HB   MET   0          2HB       MET   0  -2.666 -28.626  -6.753
    6   2HB   MET   0          1HB       MET   0  -3.422 -27.051  -6.944
    7   1HG   MET   0          2HG       MET   0  -3.449 -27.231  -9.288
    8   2HG   MET   0          1HG       MET   0  -2.340 -28.600  -9.274
    9   1HE   MET   0          1HE       MET   0  -5.512 -27.168  -8.097
   10   2HE   MET   0          2HE       MET   0  -6.556 -28.519  -7.658
   11   3HE   MET   0          3HE       MET   0  -6.473 -27.978  -9.334
   12    H    GLU   1           H        GLU   1  -2.599 -24.924  -7.791
   13    HA   GLU   1           HA       GLU   1  -1.722 -23.629  -5.293
   14   1HB   GLU   1          2HB       GLU   1  -0.748 -22.818  -7.588
   15   2HB   GLU   1          1HB       GLU   1  -2.313 -22.035  -7.762
   16   1HG   GLU   1          2HG       GLU   1  -1.758 -20.404  -6.366
   17   2HG   GLU   1          1HG       GLU   1  -1.131 -21.534  -5.165
   18    H    GLU   2           H        GLU   2  -4.167 -25.152  -5.798
   19    HA   GLU   2           HA       GLU   2  -6.294 -23.201  -6.019
   20   1HB   GLU   2          2HB       GLU   2  -6.142 -25.855  -6.619
   21   2HB   GLU   2          1HB       GLU   2  -6.957 -25.909  -5.062
   22   1HG   GLU   2          2HG       GLU   2  -8.052 -23.907  -6.881
   23   2HG   GLU   2          1HG       GLU   2  -8.162 -25.556  -7.491
   24    H    VAL   3           H        VAL   3  -7.626 -22.493  -4.386
   25    HA   VAL   3           HA       VAL   3  -8.255 -21.867  -2.295
   26    HB   VAL   3           HB       VAL   3  -7.076 -24.453  -1.275
   27   1HG1  VAL   3          1HG1      VAL   3  -8.037 -23.931   0.658
   28   2HG1  VAL   3          2HG1      VAL   3  -9.589 -23.654  -0.130
   29   3HG1  VAL   3          3HG1      VAL   3  -8.418 -22.343  -0.008
   30   1HG2  VAL   3          1HG2      VAL   3  -9.065 -25.604  -1.838
   31   2HG2  VAL   3          2HG2      VAL   3  -8.574 -24.747  -3.298
   32   3HG2  VAL   3          3HG2      VAL   3  -9.884 -24.114  -2.303
   33    H    GLU   4           H        GLU   4  -5.428 -21.447  -3.326
   34    HA   GLU   4           HA       GLU   4  -4.007 -21.071  -0.787
   35   1HB   GLU   4          2HB       GLU   4  -2.917 -22.286  -2.725
   36   2HB   GLU   4          1HB       GLU   4  -2.894 -20.748  -3.574
   37   1HG   GLU   4          2HG       GLU   4  -1.120 -20.027  -2.445
   38   2HG   GLU   4          1HG       GLU   4  -1.766 -20.576  -0.899
   39    H    GLN   5           H        GLN   5  -5.574 -19.356  -3.359
   40    HA   GLN   5           HA       GLN   5  -4.334 -16.823  -2.922
   41   1HB   GLN   5          2HB       GLN   5  -6.070 -15.930  -4.386
   42   2HB   GLN   5          1HB       GLN   5  -5.369 -17.387  -5.073
   43   1HG   GLN   5          2HG       GLN   5  -7.378 -18.594  -3.996
   44   2HG   GLN   5          1HG       GLN   5  -8.082 -16.981  -3.878
   45   1HE2  GLN   5          1HE2      GLN   5  -7.737 -19.677  -5.813
   46   2HE2  GLN   5          2HE2      GLN   5  -8.224 -18.987  -7.319
   47    H    THR   6           H        THR   6  -7.226 -18.410  -1.680
   48    HA   THR   6           HA       THR   6  -8.493 -16.201  -0.541
   49    HB   THR   6           HB       THR   6  -8.830 -18.512   1.150
   50    HG1  THR   6           1HG      THR   6  -9.335 -19.089  -1.568
   51   1HG2  THR   6          1HG2      THR   6 -10.508 -16.887  -0.675
   52   2HG2  THR   6          2HG2      THR   6 -10.724 -17.267   1.034
   53   3HG2  THR   6          3HG2      THR   6 -11.093 -18.479  -0.193
   54    HA   PRO   7           HA       PRO   7  -6.110 -17.342   3.647
   55   1HB   PRO   7          2HB       PRO   7  -3.649 -18.396   2.337
   56   2HB   PRO   7          1HB       PRO   7  -4.414 -18.878   3.856
   57   1HG   PRO   7          2HG       PRO   7  -4.640 -20.397   1.683
   58   2HG   PRO   7          1HG       PRO   7  -6.007 -20.184   2.795
   59   1HD   PRO   7          2HD       PRO   7  -5.536 -18.967   0.111
   60   2HD   PRO   7          1HD       PRO   7  -7.055 -19.500   0.859
   61    H    LEU   8           H        LEU   8  -4.219 -16.533   0.732
   62    HA   LEU   8           HA       LEU   8  -2.496 -14.672   1.951
   63   1HB   LEU   8          2HB       LEU   8  -3.045 -15.614  -0.702
   64   2HB   LEU   8          1HB       LEU   8  -2.936 -13.864  -0.726
   65    HG   LEU   8           HG       LEU   8  -0.730 -14.373   0.696
   66   1HD1  LEU   8          1HD1      LEU   8  -0.474 -16.625  -1.198
   67   2HD1  LEU   8          2HD1      LEU   8  -1.444 -16.915   0.247
   68   3HD1  LEU   8          3HD1      LEU   8   0.233 -16.395   0.402
   69   1HD2  LEU   8          1HD2      LEU   8  -1.248 -13.356  -1.729
   70   2HD2  LEU   8          2HD2      LEU   8  -0.379 -14.813  -2.205
   71   3HD2  LEU   8          3HD2      LEU   8   0.385 -13.643  -1.132
   72    H    GLN   9           H        GLN   9  -5.645 -14.276   0.371
   73    HA   GLN   9           HA       GLN   9  -5.798 -11.492   0.356
   74   1HB   GLN   9          2HB       GLN   9  -7.392 -13.176  -0.702
   75   2HB   GLN   9          1HB       GLN   9  -8.143 -13.312   0.881
   76   1HG   GLN   9          2HG       GLN   9  -8.272 -10.687   0.663
   77   2HG   GLN   9          1HG       GLN   9  -8.184 -11.063  -1.057
   78   1HE2  GLN   9          1HE2      GLN   9 -10.226 -10.597  -1.668
   79   2HE2  GLN   9          2HE2      GLN   9 -11.634 -11.388  -1.056
   80    H    GLU  10           H        GLU  10  -6.462 -13.800   2.949
   81    HA   GLU  10           HA       GLU  10  -7.681 -12.023   4.758
   82   1HB   GLU  10          2HB       GLU  10  -7.748 -14.469   5.019
   83   2HB   GLU  10          1HB       GLU  10  -6.019 -14.485   5.341
   84   1HG   GLU  10          2HG       GLU  10  -6.895 -14.602   7.457
   85   2HG   GLU  10          1HG       GLU  10  -6.630 -12.868   7.278
   86    H    ALA  11           H        ALA  11  -4.278 -12.994   4.362
   87    HA   ALA  11           HA       ALA  11  -3.279 -11.387   6.476
   88   1HB   ALA  11          1HB       ALA  11  -2.093 -12.900   4.221
   89   2HB   ALA  11          2HB       ALA  11  -1.717 -12.949   5.943
   90   3HB   ALA  11          3HB       ALA  11  -1.109 -11.628   4.945
   91    H    LEU  12           H        LEU  12  -3.783 -10.810   3.023
   92    HA   LEU  12           HA       LEU  12  -2.388  -8.409   2.764
   93   1HB   LEU  12          2HB       LEU  12  -4.489  -9.820   1.279
   94   2HB   LEU  12          1HB       LEU  12  -4.524  -8.079   1.074
   95    HG   LEU  12           HG       LEU  12  -1.822  -8.950   0.782
   96   1HD1  LEU  12          1HD1      LEU  12  -2.820 -11.153   0.275
   97   2HD1  LEU  12          2HD1      LEU  12  -1.984 -10.437  -1.102
   98   3HD1  LEU  12          3HD1      LEU  12  -3.746 -10.403  -1.025
   99   1HD2  LEU  12          1HD2      LEU  12  -2.454  -8.161  -1.654
  100   2HD2  LEU  12          2HD2      LEU  12  -2.320  -7.013  -0.323
  101   3HD2  LEU  12          3HD2      LEU  12  -3.908  -7.581  -0.841
  102    H    ASN  13           H        ASN  13  -5.803  -8.938   3.693
  103    HA   ASN  13           HA       ASN  13  -6.378  -6.171   3.966
  104   1HB   ASN  13          2HB       ASN  13  -8.487  -6.789   4.818
  105   2HB   ASN  13          1HB       ASN  13  -8.078  -8.037   3.651
  106   1HD2  ASN  13          1HD2      ASN  13  -8.475 -10.031   4.281
  107   2HD2  ASN  13          2HD2      ASN  13  -8.539 -10.590   5.915
  108    H    GLN  14           H        GLN  14  -5.116  -8.600   6.179
  109    HA   GLN  14           HA       GLN  14  -5.450  -7.110   8.565
  110   1HB   GLN  14          2HB       GLN  14  -4.136  -9.578   7.767
  111   2HB   GLN  14          1HB       GLN  14  -3.166  -8.680   8.927
  112   1HG   GLN  14          2HG       GLN  14  -4.421  -9.478  10.557
  113   2HG   GLN  14          1HG       GLN  14  -5.809  -8.622   9.886
  114   1HE2  GLN  14          1HE2      GLN  14  -7.307  -9.737   8.664
  115   2HE2  GLN  14          2HE2      GLN  14  -7.352 -11.461   8.589
  116    H    LEU  15           H        LEU  15  -2.701  -7.437   6.328
  117    HA   LEU  15           HA       LEU  15  -0.966  -5.710   7.753
  118   1HB   LEU  15          2HB       LEU  15  -0.937  -6.344   4.801
  119   2HB   LEU  15          1HB       LEU  15   0.393  -5.689   5.736
  120    HG   LEU  15           HG       LEU  15  -0.786  -8.373   6.395
  121   1HD1  LEU  15          1HD1      LEU  15   1.388  -9.090   5.047
  122   2HD1  LEU  15          2HD1      LEU  15   0.993  -7.627   4.145
  123   3HD1  LEU  15          3HD1      LEU  15  -0.190  -8.928   4.275
  124   1HD2  LEU  15          1HD2      LEU  15   0.992  -6.841   7.738
  125   2HD2  LEU  15          2HD2      LEU  15   2.077  -7.785   6.718
  126   3HD2  LEU  15          3HD2      LEU  15   0.956  -8.604   7.802
  127    H    MET  16           H        MET  16  -3.404  -5.156   5.268
  128    HA   MET  16           HA       MET  16  -2.694  -2.496   4.629
  129   1HB   MET  16          2HB       MET  16  -5.205  -4.114   4.343
  130   2HB   MET  16          1HB       MET  16  -5.235  -2.388   4.012
  131   1HG   MET  16          2HG       MET  16  -3.406  -4.368   2.675
  132   2HG   MET  16          1HG       MET  16  -4.914  -3.759   1.997
  133   1HE   MET  16          1HE       MET  16  -0.833  -2.025   1.741
  134   2HE   MET  16          2HE       MET  16  -1.537  -3.293   0.738
  135   3HE   MET  16          3HE       MET  16  -1.367  -3.536   2.476
  136    H    ARG  17           H        ARG  17  -4.920  -3.869   7.025
  137    HA   ARG  17           HA       ARG  17  -5.966  -1.434   7.974
  138   1HB   ARG  17          2HB       ARG  17  -5.846  -4.232   8.969
  139   2HB   ARG  17          1HB       ARG  17  -6.181  -2.979  10.156
  140   1HG   ARG  17          2HG       ARG  17  -7.914  -2.267   8.225
  141   2HG   ARG  17          1HG       ARG  17  -7.850  -4.010   7.961
  142   1HD   ARG  17          2HD       ARG  17  -8.035  -3.434  10.773
  143   2HD   ARG  17          1HD       ARG  17  -9.328  -2.614   9.899
  144    HE   ARG  17           HE       ARG  17  -9.009  -5.451  10.282
  145   1HH1  ARG  17          1HH1      ARG  17 -10.516  -2.962   8.333
  146   2HH1  ARG  17          2HH1      ARG  17 -11.794  -3.992   7.784
  147   1HH2  ARG  17          1HH2      ARG  17 -10.691  -6.807   9.550
  148   2HH2  ARG  17          2HH2      ARG  17 -11.893  -6.177   8.474
  149    H    GLN  18           H        GLN  18  -3.136  -3.332   8.959
  150    HA   GLN  18           HA       GLN  18  -2.450  -1.833  11.233
  151   1HB   GLN  18          2HB       GLN  18  -0.727  -3.439   9.341
  152   2HB   GLN  18          1HB       GLN  18  -0.136  -2.743  10.844
  153   1HG   GLN  18          2HG       GLN  18  -1.853  -4.064  12.061
  154   2HG   GLN  18          1HG       GLN  18  -2.271  -4.837  10.534
  155   1HE2  GLN  18          1HE2      GLN  18  -1.488  -6.817  10.495
  156   2HE2  GLN  18          2HE2      GLN  18   0.082  -7.302  11.028
  157    H    LEU  19           H        LEU  19  -1.523  -1.451   7.825
  158    HA   LEU  19           HA       LEU  19   0.280   0.689   8.229
  159   1HB   LEU  19          2HB       LEU  19  -1.335  -0.059   5.790
  160   2HB   LEU  19          1HB       LEU  19  -0.045   1.128   5.802
  161    HG   LEU  19           HG       LEU  19   0.652  -1.576   6.796
  162   1HD1  LEU  19          1HD1      LEU  19   0.728  -1.280   3.858
  163   2HD1  LEU  19          2HD1      LEU  19  -0.849  -1.602   4.579
  164   3HD1  LEU  19          3HD1      LEU  19   0.490  -2.717   4.853
  165   1HD2  LEU  19          1HD2      LEU  19   2.066   0.657   6.292
  166   2HD2  LEU  19          2HD2      LEU  19   2.225  -0.163   4.740
  167   3HD2  LEU  19          3HD2      LEU  19   2.748  -0.968   6.218
  168    H    GLN  20           H        GLN  20  -3.175   0.620   7.383
  169    HA   GLN  20           HA       GLN  20  -3.488   3.420   7.153
  170   1HB   GLN  20          2HB       GLN  20  -5.172   1.084   7.032
  171   2HB   GLN  20          1HB       GLN  20  -5.957   2.335   7.986
  172   1HG   GLN  20          2HG       GLN  20  -5.569   3.918   6.103
  173   2HG   GLN  20          1HG       GLN  20  -4.969   2.559   5.153
  174   1HE2  GLN  20          1HE2      GLN  20  -7.774   3.378   7.182
  175   2HE2  GLN  20          2HE2      GLN  20  -8.952   2.694   6.120
  176    H    ARG  21           H        ARG  21  -3.865   1.192   9.872
  177    HA   ARG  21           HA       ARG  21  -4.881   3.156  11.680
  178   1HB   ARG  21          2HB       ARG  21  -4.967   0.499  11.701
  179   2HB   ARG  21          1HB       ARG  21  -3.530   0.703  12.690
  180   1HG   ARG  21          2HG       ARG  21  -4.770   2.035  14.283
  181   2HG   ARG  21          1HG       ARG  21  -6.207   1.965  13.261
  182   1HD   ARG  21          2HD       ARG  21  -6.588   0.330  14.883
  183   2HD   ARG  21          1HD       ARG  21  -6.010  -0.581  13.489
  184    HE   ARG  21           HE       ARG  21  -3.930   0.167  15.333
  185   1HH1  ARG  21          1HH1      ARG  21  -6.361  -2.244  14.592
  186   2HH1  ARG  21          2HH1      ARG  21  -5.546  -3.507  15.450
  187   1HH2  ARG  21          1HH2      ARG  21  -2.863  -1.504  16.465
  188   2HH2  ARG  21          2HH2      ARG  21  -3.562  -3.088  16.513
  189    H    LYS  22           H        LYS  22  -1.715   2.437  10.567
  190    HA   LYS  22           HA       LYS  22  -0.085   2.888  12.732
  191   1HB   LYS  22          2HB       LYS  22   0.243   2.760   9.949
  192   2HB   LYS  22          1HB       LYS  22   0.954   4.294  10.424
  193   1HG   LYS  22          2HG       LYS  22   1.995   2.642  12.302
  194   2HG   LYS  22          1HG       LYS  22   1.860   1.552  10.920
  195   1HD   LYS  22          2HD       LYS  22   3.268   2.870   9.596
  196   2HD   LYS  22          1HD       LYS  22   3.092   4.277  10.645
  197   1HE   LYS  22          2HE       LYS  22   4.532   3.418  12.250
  198   2HE   LYS  22          1HE       LYS  22   4.311   1.758  11.700
  199   1HZ   LYS  22          1HZ       LYS  22   5.414   2.931   9.540
  200   2HZ   LYS  22          2HZ       LYS  22   6.280   2.077  10.716
  201   3HZ   LYS  22          3HZ       LYS  22   6.180   3.761  10.800
  202    H    ASP  23           H        ASP  23  -0.733   5.509  10.377
  203    HA   ASP  23           HA       ASP  23  -1.804   7.426  11.967
  204   1HB   ASP  23          2HB       ASP  23   0.821   6.931  12.893
  205   2HB   ASP  23          1HB       ASP  23   0.848   8.498  12.096
  206    HA   PRO  24           HA       PRO  24   0.592   9.826   8.501
  207   1HB   PRO  24          2HB       PRO  24   2.312   8.284   7.015
  208   2HB   PRO  24          1HB       PRO  24   2.801   9.270   8.397
  209   1HG   PRO  24          2HG       PRO  24   2.215   6.340   8.276
  210   2HG   PRO  24          1HG       PRO  24   3.519   7.183   9.127
  211   1HD   PRO  24          2HD       PRO  24   1.343   6.285  10.396
  212   2HD   PRO  24          1HD       PRO  24   2.129   7.798  10.877
  213    H    SER  25           H        SER  25  -0.376   6.476   8.054
  214    HA   SER  25           HA       SER  25  -1.016   6.663   5.295
  215   1HB   SER  25          2HB       SER  25  -0.650   4.510   6.494
  216   2HB   SER  25          1HB       SER  25  -2.179   4.756   7.336
  217    HG   SER  25           HG       SER  25  -3.251   4.615   5.371
  218    H    ALA  26           H        ALA  26  -2.646   7.746   8.142
  219    HA   ALA  26           HA       ALA  26  -5.318   7.641   7.351
  220   1HB   ALA  26          1HB       ALA  26  -4.064   8.502   9.565
  221   2HB   ALA  26          2HB       ALA  26  -5.747   8.876   9.193
  222   3HB   ALA  26          3HB       ALA  26  -4.482  10.052   8.833
  223    H    PHE  27           H        PHE  27  -2.758   9.832   6.373
  224    HA   PHE  27           HA       PHE  27  -4.420  11.852   5.265
  225   1HB   PHE  27          2HB       PHE  27  -1.589  11.184   4.432
  226   2HB   PHE  27          1HB       PHE  27  -2.425  12.716   4.222
  227    HD1  PHE  27           1HD      PHE  27  -3.557  13.363   6.748
  228    HD2  PHE  27           2HD      PHE  27   0.133  11.410   5.920
  229    HE1  PHE  27           1HE      PHE  27  -2.663  14.145   8.903
  230    HE2  PHE  27           2HE      PHE  27   1.031  12.186   8.075
  231    HZ   PHE  27           HZ       PHE  27  -0.366  13.556   9.569
  232    H    PHE  28           H        PHE  28  -2.804   9.011   3.850
  233    HA   PHE  28           HA       PHE  28  -4.225   9.513   1.326
  234   1HB   PHE  28          2HB       PHE  28  -2.058   7.462   1.790
  235   2HB   PHE  28          1HB       PHE  28  -2.647   8.082   0.252
  236    HD1  PHE  28           1HD      PHE  28  -2.465  10.778   0.116
  237    HD2  PHE  28           2HD      PHE  28  -0.009   8.216   2.465
  238    HE1  PHE  28           1HE      PHE  28  -0.700  12.491   0.133
  239    HE2  PHE  28           2HE      PHE  28   1.759   9.925   2.486
  240    HZ   PHE  28           HZ       PHE  28   1.416  12.066   1.320
  241    H    SER  29           H        SER  29  -5.215   8.206   3.958
  242    HA   SER  29           HA       SER  29  -5.752   5.490   3.418
  243   1HB   SER  29          2HB       SER  29  -5.926   6.189   5.680
  244   2HB   SER  29          1HB       SER  29  -7.010   7.516   5.268
  245    HG   SER  29           HG       SER  29  -7.906   4.965   4.623
  246    H    PHE  30           H        PHE  30  -7.152   8.382   2.204
  247    HA   PHE  30           HA       PHE  30  -9.326   6.835   0.972
  248   1HB   PHE  30          2HB       PHE  30 -10.331   9.336   0.920
  249   2HB   PHE  30          1HB       PHE  30 -10.655   8.200   2.220
  250    HD1  PHE  30           2HD      PHE  30  -8.073  10.729   1.271
  251    HD2  PHE  30           1HD      PHE  30 -10.419   8.985   4.367
  252    HE1  PHE  30           2HE      PHE  30  -7.126  12.326   2.886
  253    HE2  PHE  30           1HE      PHE  30  -9.476  10.581   5.983
  254    HZ   PHE  30           HZ       PHE  30  -7.826  12.253   5.244
  255    HA   PRO  31           HA       PRO  31  -7.949   8.229  -2.969
  256   1HB   PRO  31          2HB       PRO  31 -10.246   8.941  -4.255
  257   2HB   PRO  31          1HB       PRO  31  -9.779   7.265  -3.951
  258   1HG   PRO  31          2HG       PRO  31 -11.700   9.000  -2.454
  259   2HG   PRO  31          1HG       PRO  31 -11.847   7.291  -2.900
  260   1HD   PRO  31          2HD       PRO  31 -11.143   8.092  -0.413
  261   2HD   PRO  31          1HD       PRO  31 -10.545   6.586  -1.137
  262    H    VAL  32           H        VAL  32  -6.903  10.022  -3.528
  263    HA   VAL  32           HA       VAL  32  -7.354  12.526  -2.376
  264    HB   VAL  32           HB       VAL  32  -5.869  13.421  -4.230
  265   1HG1  VAL  32          1HG1      VAL  32  -3.927  11.822  -3.372
  266   2HG1  VAL  32          2HG1      VAL  32  -5.170  11.382  -2.201
  267   3HG1  VAL  32          3HG1      VAL  32  -4.656  13.063  -2.352
  268   1HG2  VAL  32          1HG2      VAL  32  -4.773  10.953  -5.041
  269   2HG2  VAL  32          2HG2      VAL  32  -5.562  12.179  -6.033
  270   3HG2  VAL  32          3HG2      VAL  32  -6.512  10.877  -5.318
  271    H    THR  33           H        THR  33  -7.854  14.573  -3.509
  272    HA   THR  33           HA       THR  33  -9.816  14.235  -5.671
  273    HB   THR  33           HB       THR  33 -10.447  16.366  -3.742
  274    HG1  THR  33           1HG      THR  33 -10.719  13.646  -2.976
  275   1HG2  THR  33          1HG2      THR  33 -11.871  14.513  -5.485
  276   2HG2  THR  33          2HG2      THR  33 -12.281  16.152  -4.979
  277   3HG2  THR  33          3HG2      THR  33 -12.646  14.786  -3.925
  278    H    ASP  34           H        ASP  34 -10.568  16.789  -6.124
  279    HA   ASP  34           HA       ASP  34  -8.298  17.895  -7.433
  280   1HB   ASP  34          2HB       ASP  34 -11.019  18.044  -7.784
  281   2HB   ASP  34          1HB       ASP  34 -10.635  19.646  -7.169
  282    H    PHE  35           H        PHE  35  -9.222  18.109  -4.231
  283    HA   PHE  35           HA       PHE  35  -7.852  20.697  -3.931
  284   1HB   PHE  35          2HB       PHE  35  -9.205  21.146  -1.943
  285   2HB   PHE  35          1HB       PHE  35 -10.220  20.943  -3.362
  286    HD1  PHE  35           2HD      PHE  35 -11.216  18.542  -3.703
  287    HD2  PHE  35           1HD      PHE  35  -9.726  20.025  -0.000
  288    HE1  PHE  35           2HE      PHE  35 -12.550  16.864  -2.494
  289    HE2  PHE  35           1HE      PHE  35 -11.060  18.352   1.211
  290    HZ   PHE  35           HZ       PHE  35 -12.475  16.768  -0.036
  291    H    ILE  36           H        ILE  36  -8.437  17.489  -2.581
  292    HA   ILE  36           HA       ILE  36  -6.615  17.724  -0.420
  293    HB   ILE  36           HB       ILE  36  -7.961  15.417  -1.789
  294   1HG1  ILE  36          2HG1      ILE  36  -8.008  16.191   1.121
  295   2HG1  ILE  36          1HG1      ILE  36  -9.056  16.964  -0.063
  296   1HG2  ILE  36          1HG2      ILE  36  -5.667  15.292   0.113
  297   2HG2  ILE  36          2HG2      ILE  36  -6.000  14.316  -1.318
  298   3HG2  ILE  36          3HG2      ILE  36  -6.921  14.053   0.163
  299   1HD1  ILE  36          1HD1      ILE  36 -10.270  15.031  -0.437
  300   2HD1  ILE  36          2HD1      ILE  36  -9.966  14.991   1.300
  301   3HD1  ILE  36          3HD1      ILE  36  -9.003  13.991   0.212
  302    H    ALA  37           H        ALA  37  -6.330  16.774  -3.790
  303    HA   ALA  37           HA       ALA  37  -3.452  16.265  -3.411
  304   1HB   ALA  37          1HB       ALA  37  -3.924  15.349  -5.899
  305   2HB   ALA  37          2HB       ALA  37  -5.500  15.067  -5.162
  306   3HB   ALA  37          3HB       ALA  37  -4.053  14.352  -4.450
  307    HA   PRO  38           HA       PRO  38  -2.696  19.899  -5.822
  308   1HB   PRO  38          2HB       PRO  38  -0.052  19.091  -6.499
  309   2HB   PRO  38          1HB       PRO  38  -0.544  20.178  -5.202
  310   1HG   PRO  38          2HG       PRO  38   0.564  17.663  -4.851
  311   2HG   PRO  38          1HG       PRO  38  -0.363  18.549  -3.631
  312   1HD   PRO  38          2HD       PRO  38  -1.218  16.329  -5.425
  313   2HD   PRO  38          1HD       PRO  38  -1.703  16.685  -3.754
  314    H    GLY  39           H        GLY  39  -3.133  17.051  -7.177
  315   1HA   GLY  39          2HA       GLY  39  -3.991  17.385  -9.561
  316   2HA   GLY  39          1HA       GLY  39  -2.337  17.885  -9.884
  317    H    TYR  40           H        TYR  40  -3.378  15.237  -7.773
  318    HA   TYR  40           HA       TYR  40  -1.525  13.395  -8.745
  319   1HB   TYR  40          2HB       TYR  40  -4.085  13.126  -7.204
  320   2HB   TYR  40          1HB       TYR  40  -3.317  11.673  -7.834
  321    HD1  TYR  40           1HD      TYR  40  -2.051  14.781  -6.184
  322    HD2  TYR  40           2HD      TYR  40  -2.178  10.517  -6.148
  323    HE1  TYR  40           1HE      TYR  40  -0.584  14.754  -4.217
  324    HE2  TYR  40           2HE      TYR  40  -0.707  10.494  -4.186
  325    HH   TYR  40           HH       TYR  40  -0.185  13.005  -2.232
  326    H    SER  41           H        SER  41  -4.960  13.786  -9.631
  327    HA   SER  41           HA       SER  41  -5.113  11.678 -11.461
  328   1HB   SER  41          2HB       SER  41  -6.890  13.495 -10.498
  329   2HB   SER  41          1HB       SER  41  -6.688  14.075 -12.152
  330    HG   SER  41           HG       SER  41  -8.181  12.580 -12.447
  331    H    MET  42           H        MET  42  -3.639  14.819 -11.839
  332    HA   MET  42           HA       MET  42  -3.574  14.619 -14.734
  333   1HB   MET  42          2HB       MET  42  -3.726  16.751 -13.105
  334   2HB   MET  42          1HB       MET  42  -1.985  16.699 -13.345
  335   1HG   MET  42          2HG       MET  42  -2.123  17.347 -15.494
  336   2HG   MET  42          1HG       MET  42  -3.624  16.467 -15.781
  337   1HE   MET  42          1HE       MET  42  -3.026  18.855 -17.099
  338   2HE   MET  42          2HE       MET  42  -3.714  20.386 -16.560
  339   3HE   MET  42          3HE       MET  42  -4.769  19.112 -17.170
  340    H    ILE  43           H        ILE  43  -1.155  14.705 -12.093
  341    HA   ILE  43           HA       ILE  43   0.952  14.001 -13.978
  342    HB   ILE  43           HB       ILE  43   1.267  15.735 -12.200
  343   1HG1  ILE  43          2HG1      ILE  43   3.502  14.476 -11.367
  344   2HG1  ILE  43          1HG1      ILE  43   3.065  13.435 -12.718
  345   1HG2  ILE  43          1HG2      ILE  43   0.337  13.682 -10.510
  346   2HG2  ILE  43          2HG2      ILE  43   0.827  15.311 -10.080
  347   3HG2  ILE  43          3HG2      ILE  43   2.010  14.004 -10.065
  348   1HD1  ILE  43          1HD1      ILE  43   4.441  15.869 -12.791
  349   2HD1  ILE  43          2HD1      ILE  43   2.860  16.174 -13.510
  350   3HD1  ILE  43          3HD1      ILE  43   3.890  14.895 -14.153
  351    H    ILE  44           H        ILE  44  -0.795  12.535 -11.302
  352    HA   ILE  44           HA       ILE  44   0.724  10.054 -11.704
  353    HB   ILE  44           HB       ILE  44  -0.445  11.332  -9.263
  354   1HG1  ILE  44          2HG1      ILE  44   1.887  11.645  -9.564
  355   2HG1  ILE  44          1HG1      ILE  44   1.715  10.435  -8.302
  356   1HG2  ILE  44          1HG2      ILE  44  -1.572   9.312  -9.028
  357   2HG2  ILE  44          2HG2      ILE  44  -0.092   9.069  -8.107
  358   3HG2  ILE  44          3HG2      ILE  44  -0.248   8.377  -9.722
  359   1HD1  ILE  44          1HD1      ILE  44   2.810  10.192 -11.038
  360   2HD1  ILE  44          2HD1      ILE  44   1.950   8.800 -10.382
  361   3HD1  ILE  44          3HD1      ILE  44   3.345   9.458  -9.528
  362    H    LYS  45           H        LYS  45  -0.563   9.375 -13.418
  363    HA   LYS  45           HA       LYS  45  -3.264   9.310 -13.709
  364   1HB   LYS  45          2HB       LYS  45  -1.090   8.125 -14.974
  365   2HB   LYS  45          1HB       LYS  45  -2.136   6.776 -14.548
  366   1HG   LYS  45          2HG       LYS  45  -3.840   8.731 -15.585
  367   2HG   LYS  45          1HG       LYS  45  -2.424   8.733 -16.639
  368   1HD   LYS  45          2HD       LYS  45  -3.765   6.167 -15.840
  369   2HD   LYS  45          1HD       LYS  45  -4.369   7.131 -17.189
  370   1HE   LYS  45          2HE       LYS  45  -1.493   6.270 -16.994
  371   2HE   LYS  45          1HE       LYS  45  -2.728   5.254 -17.733
  372   1HZ   LYS  45          1HZ       LYS  45  -3.226   7.238 -19.194
  373   2HZ   LYS  45          2HZ       LYS  45  -1.755   6.453 -19.479
  374   3HZ   LYS  45          3HZ       LYS  45  -1.782   7.913 -18.627
  375    H    HIS  46           H        HIS  46  -1.441   6.537 -12.327
  376    HA   HIS  46           HA       HIS  46  -3.944   5.737 -10.999
  377   1HB   HIS  46          2HB       HIS  46  -2.167   4.275 -12.662
  378   2HB   HIS  46          1HB       HIS  46  -2.065   3.587 -11.046
  379    HD1  HIS  46           1HD      HIS  46  -4.692   3.263  -9.990
  380    HD2  HIS  46           2HD      HIS  46  -4.097   3.071 -14.098
  381    HE1  HIS  46           1HE      HIS  46  -6.681   2.026 -10.900
  382    HE2  HIS  46           2HE      HIS  46  -6.248   1.830 -13.375
  383    HA   PRO  47           HA       PRO  47  -1.208   6.738  -7.449
  384   1HB   PRO  47          2HB       PRO  47  -3.128   7.853  -5.917
  385   2HB   PRO  47          1HB       PRO  47  -2.294   8.754  -7.186
  386   1HG   PRO  47          2HG       PRO  47  -5.014   7.535  -7.199
  387   2HG   PRO  47          1HG       PRO  47  -4.456   9.050  -7.926
  388   1HD   PRO  47          2HD       PRO  47  -4.843   6.686  -9.306
  389   2HD   PRO  47          1HD       PRO  47  -3.808   8.019  -9.847
  390    H    MET  48           H        MET  48  -4.504   5.467  -7.317
  391    HA   MET  48           HA       MET  48  -5.531   3.899  -6.048
  392   1HB   MET  48          2HB       MET  48  -3.482   2.699  -7.357
  393   2HB   MET  48          1HB       MET  48  -3.097   2.277  -5.694
  394   1HG   MET  48          2HG       MET  48  -4.429   0.537  -6.677
  395   2HG   MET  48          1HG       MET  48  -5.356   1.355  -5.421
  396   1HE   MET  48          1HE       MET  48  -5.088   0.862  -9.453
  397   2HE   MET  48          2HE       MET  48  -6.781   0.366  -9.426
  398   3HE   MET  48          3HE       MET  48  -5.621  -0.391  -8.336
  399    H    ASP  49           H        ASP  49  -5.852   5.223  -4.246
  400    HA   ASP  49           HA       ASP  49  -4.035   5.461  -2.077
  401   1HB   ASP  49          2HB       ASP  49  -6.105   6.197  -0.815
  402   2HB   ASP  49          1HB       ASP  49  -5.758   7.108  -2.282
  403    H    PHE  50           H        PHE  50  -4.747   4.705   0.193
  404    HA   PHE  50           HA       PHE  50  -4.593   1.907   0.295
  405   1HB   PHE  50          2HB       PHE  50  -5.319   3.924   2.420
  406   2HB   PHE  50          1HB       PHE  50  -5.122   2.205   2.747
  407    HD1  PHE  50           1HD      PHE  50  -3.350   5.204   1.492
  408    HD2  PHE  50           2HD      PHE  50  -3.003   1.276   3.089
  409    HE1  PHE  50           1HE      PHE  50  -0.931   5.536   1.761
  410    HE2  PHE  50           2HE      PHE  50  -0.580   1.601   3.365
  411    HZ   PHE  50           HZ       PHE  50   0.458   3.733   2.701
  412    H    SER  51           H        SER  51  -7.408   4.047   0.384
  413    HA   SER  51           HA       SER  51  -9.224   2.019   1.261
  414   1HB   SER  51          2HB       SER  51  -9.400   4.830   0.486
  415   2HB   SER  51          1HB       SER  51 -10.784   3.884  -0.060
  416    HG   SER  51           HG       SER  51 -11.148   3.245   2.057
  417    H    THR  52           H        THR  52  -8.336   3.325  -1.922
  418    HA   THR  52           HA       THR  52 -10.257   1.788  -3.352
  419    HB   THR  52           HB       THR  52  -7.728   3.160  -4.297
  420    HG1  THR  52           1HG      THR  52  -8.948   4.843  -4.153
  421   1HG2  THR  52          1HG2      THR  52 -10.002   2.348  -6.062
  422   2HG2  THR  52          2HG2      THR  52  -8.603   1.306  -5.809
  423   3HG2  THR  52          3HG2      THR  52  -8.389   2.909  -6.511
  424    H    MET  53           H        MET  53  -6.746   1.374  -2.802
  425    HA   MET  53           HA       MET  53  -6.500  -1.014  -4.258
  426   1HB   MET  53          2HB       MET  53  -4.376  -1.316  -3.177
  427   2HB   MET  53          1HB       MET  53  -4.588   0.395  -3.515
  428   1HG   MET  53          2HG       MET  53  -5.249   0.744  -1.169
  429   2HG   MET  53          1HG       MET  53  -4.943  -0.962  -0.852
  430   1HE   MET  53          1HE       MET  53  -1.779  -1.532  -2.222
  431   2HE   MET  53          2HE       MET  53  -2.975  -2.120  -1.066
  432   3HE   MET  53          3HE       MET  53  -1.433  -1.481  -0.495
  433    H    LYS  54           H        LYS  54  -7.204  -0.475  -0.804
  434    HA   LYS  54           HA       LYS  54  -7.199  -3.179  -0.023
  435   1HB   LYS  54          2HB       LYS  54  -7.205  -1.142   1.487
  436   2HB   LYS  54          1HB       LYS  54  -8.932  -1.021   1.185
  437   1HG   LYS  54          2HG       LYS  54  -9.096  -3.408   2.045
  438   2HG   LYS  54          1HG       LYS  54  -7.438  -3.197   2.616
  439   1HD   LYS  54          2HD       LYS  54  -8.045  -1.538   4.139
  440   2HD   LYS  54          1HD       LYS  54  -9.569  -1.208   3.314
  441   1HE   LYS  54          2HE       LYS  54  -9.780  -3.870   4.022
  442   2HE   LYS  54          1HE       LYS  54  -8.951  -3.143   5.400
  443   1HZ   LYS  54          1HZ       LYS  54 -11.280  -1.730   4.342
  444   2HZ   LYS  54          2HZ       LYS  54 -10.749  -1.896   5.939
  445   3HZ   LYS  54          3HZ       LYS  54 -11.570  -3.167   5.188
  446    H    GLU  55           H        GLU  55  -9.758  -1.129  -1.354
  447    HA   GLU  55           HA       GLU  55 -11.905  -2.920  -0.992
  448   1HB   GLU  55          2HB       GLU  55 -11.976  -0.447  -1.670
  449   2HB   GLU  55          1HB       GLU  55 -11.649  -1.001  -3.305
  450   1HG   GLU  55          2HG       GLU  55 -13.693  -2.426  -3.143
  451   2HG   GLU  55          1HG       GLU  55 -14.043  -1.645  -1.603
  452    H    LYS  56           H        LYS  56  -9.466  -2.589  -3.508
  453    HA   LYS  56           HA       LYS  56 -10.592  -4.426  -5.352
  454   1HB   LYS  56          2HB       LYS  56  -8.124  -2.903  -5.073
  455   2HB   LYS  56          1HB       LYS  56  -7.830  -4.510  -5.723
  456   1HG   LYS  56          2HG       LYS  56  -8.352  -3.681  -7.710
  457   2HG   LYS  56          1HG       LYS  56 -10.023  -3.602  -7.149
  458   1HD   LYS  56          2HD       LYS  56  -9.099  -1.325  -6.084
  459   2HD   LYS  56          1HD       LYS  56  -8.014  -1.449  -7.471
  460   1HE   LYS  56          2HE       LYS  56  -9.803  -0.228  -8.309
  461   2HE   LYS  56          1HE       LYS  56 -10.161  -1.874  -8.830
  462   1HZ   LYS  56          1HZ       LYS  56 -12.097  -0.703  -7.893
  463   2HZ   LYS  56          2HZ       LYS  56 -11.302  -0.595  -6.404
  464   3HZ   LYS  56          3HZ       LYS  56 -11.714  -2.109  -7.034
  465    H    ILE  57           H        ILE  57  -8.366  -4.759  -2.619
  466    HA   ILE  57           HA       ILE  57  -7.562  -7.411  -3.060
  467    HB   ILE  57           HB       ILE  57  -7.984  -6.196  -0.328
  468   1HG1  ILE  57          2HG1      ILE  57  -5.536  -5.990  -2.099
  469   2HG1  ILE  57          1HG1      ILE  57  -6.646  -4.671  -1.748
  470   1HG2  ILE  57          1HG2      ILE  57  -7.423  -8.702  -0.756
  471   2HG2  ILE  57          2HG2      ILE  57  -6.554  -7.808   0.490
  472   3HG2  ILE  57          3HG2      ILE  57  -5.802  -8.090  -1.079
  473   1HD1  ILE  57          1HD1      ILE  57  -4.479  -5.785  -0.138
  474   2HD1  ILE  57          2HD1      ILE  57  -5.967  -5.468   0.752
  475   3HD1  ILE  57          3HD1      ILE  57  -5.180  -4.168  -0.143
  476    H    LYS  58           H        LYS  58 -10.377  -6.086  -1.352
  477    HA   LYS  58           HA       LYS  58 -11.371  -8.494  -0.309
  478   1HB   LYS  58          2HB       LYS  58 -12.120  -6.134   0.244
  479   2HB   LYS  58          1HB       LYS  58 -13.074  -6.182  -1.233
  480   1HG   LYS  58          2HG       LYS  58 -13.916  -8.456  -0.065
  481   2HG   LYS  58          1HG       LYS  58 -13.529  -7.496   1.364
  482   1HD   LYS  58          2HD       LYS  58 -15.028  -5.772   0.722
  483   2HD   LYS  58          1HD       LYS  58 -15.231  -6.457  -0.891
  484   1HE   LYS  58          2HE       LYS  58 -15.918  -8.325   1.240
  485   2HE   LYS  58          1HE       LYS  58 -16.898  -6.859   1.267
  486   1HZ   LYS  58          1HZ       LYS  58 -16.666  -8.888  -0.862
  487   2HZ   LYS  58          2HZ       LYS  58 -17.174  -7.318  -1.233
  488   3HZ   LYS  58          3HZ       LYS  58 -18.060  -8.256  -0.141
  489    H    ASN  59           H        ASN  59 -11.442  -7.238  -3.552
  490    HA   ASN  59           HA       ASN  59 -13.446  -9.203  -4.387
  491   1HB   ASN  59          2HB       ASN  59 -12.315  -6.705  -5.562
  492   2HB   ASN  59          1HB       ASN  59 -12.931  -7.932  -6.661
  493   1HD2  ASN  59          1HD2      ASN  59 -13.851  -6.138  -3.735
  494   2HD2  ASN  59          2HD2      ASN  59 -15.520  -5.990  -4.152
  495    H    ASN  60           H        ASN  60 -10.513  -9.735  -3.629
  496    HA   ASN  60           HA       ASN  60  -8.840 -11.122  -4.251
  497   1HB   ASN  60          2HB       ASN  60 -11.190 -12.200  -5.427
  498   2HB   ASN  60          1HB       ASN  60  -9.892 -12.360  -6.605
  499   1HD2  ASN  60          1HD2      ASN  60 -10.554 -12.853  -3.158
  500   2HD2  ASN  60          2HD2      ASN  60  -9.616 -14.297  -3.008
  501    H    ASP  61           H        ASP  61  -9.227  -8.426  -5.557
  502    HA   ASP  61           HA       ASP  61  -8.129  -8.634  -8.188
  503   1HB   ASP  61          2HB       ASP  61  -9.460  -6.677  -7.063
  504   2HB   ASP  61          1HB       ASP  61  -7.872  -6.174  -6.493
  505    H    TYR  62           H        TYR  62  -6.841  -8.267  -4.946
  506    HA   TYR  62           HA       TYR  62  -4.119  -8.433  -6.052
  507   1HB   TYR  62          2HB       TYR  62  -4.991  -7.054  -3.501
  508   2HB   TYR  62          1HB       TYR  62  -3.332  -7.193  -4.074
  509    HD1  TYR  62           2HD      TYR  62  -3.317  -6.480  -6.801
  510    HD2  TYR  62           1HD      TYR  62  -5.778  -4.903  -3.710
  511    HE1  TYR  62           2HE      TYR  62  -3.600  -4.407  -8.088
  512    HE2  TYR  62           1HE      TYR  62  -6.065  -2.828  -4.988
  513    HH   TYR  62           HH       TYR  62  -5.948  -2.201  -7.525
  514    H    GLN  63           H        GLN  63  -3.557 -10.492  -5.846
  515    HA   GLN  63           HA       GLN  63  -3.684 -11.724  -3.196
  516   1HB   GLN  63          2HB       GLN  63  -4.379 -13.846  -4.121
  517   2HB   GLN  63          1HB       GLN  63  -5.537 -12.617  -4.611
  518   1HG   GLN  63          2HG       GLN  63  -4.663 -12.548  -6.816
  519   2HG   GLN  63          1HG       GLN  63  -3.269 -13.524  -6.360
  520   1HE2  GLN  63          1HE2      GLN  63  -6.750 -13.566  -6.820
  521   2HE2  GLN  63          2HE2      GLN  63  -6.877 -15.266  -7.104
  522    H    SER  64           H        SER  64  -1.709 -10.436  -5.176
  523    HA   SER  64           HA       SER  64   0.338 -12.505  -4.910
  524   1HB   SER  64          2HB       SER  64  -0.445 -12.320  -7.281
  525   2HB   SER  64          1HB       SER  64   0.109 -10.647  -7.290
  526    HG   SER  64           HG       SER  64   2.190 -11.342  -7.071
  527    H    ILE  65           H        ILE  65   2.245 -11.833  -4.262
  528    HA   ILE  65           HA       ILE  65   2.523  -9.564  -2.721
  529    HB   ILE  65           HB       ILE  65   4.972  -9.997  -2.795
  530   1HG1  ILE  65          2HG1      ILE  65   4.180 -12.251  -4.646
  531   2HG1  ILE  65          1HG1      ILE  65   5.138 -10.845  -5.097
  532   1HG2  ILE  65          1HG2      ILE  65   4.504 -12.561  -2.061
  533   2HG2  ILE  65          2HG2      ILE  65   2.883 -11.870  -1.973
  534   3HG2  ILE  65          3HG2      ILE  65   4.199 -11.153  -1.042
  535   1HD1  ILE  65          1HD1      ILE  65   5.941 -13.314  -3.810
  536   2HD1  ILE  65          2HD1      ILE  65   6.515 -11.882  -2.957
  537   3HD1  ILE  65          3HD1      ILE  65   6.909 -12.110  -4.660
  538    H    GLU  66           H        GLU  66   3.542 -10.071  -6.089
  539    HA   GLU  66           HA       GLU  66   4.815  -7.546  -6.347
  540   1HB   GLU  66          2HB       GLU  66   4.850  -7.992  -8.737
  541   2HB   GLU  66          1HB       GLU  66   5.327  -9.426  -7.840
  542   1HG   GLU  66          2HG       GLU  66   2.692  -9.893  -8.098
  543   2HG   GLU  66          1HG       GLU  66   2.975  -8.945  -9.552
  544    H    GLU  67           H        GLU  67   1.524  -8.683  -7.040
  545    HA   GLU  67           HA       GLU  67   0.654  -6.326  -8.346
  546   1HB   GLU  67          2HB       GLU  67  -0.724  -8.644  -7.038
  547   2HB   GLU  67          1HB       GLU  67  -1.661  -7.245  -7.551
  548   1HG   GLU  67          2HG       GLU  67   0.143  -8.151  -9.623
  549   2HG   GLU  67          1HG       GLU  67  -0.953  -9.426  -9.094
  550    H    LEU  68           H        LEU  68   0.296  -7.426  -4.967
  551    HA   LEU  68           HA       LEU  68  -1.074  -5.089  -4.109
  552   1HB   LEU  68          2HB       LEU  68  -0.714  -5.891  -1.854
  553   2HB   LEU  68          1HB       LEU  68  -1.223  -7.206  -2.893
  554    HG   LEU  68           HG       LEU  68   1.439  -7.550  -3.048
  555   1HD1  LEU  68          1HD1      LEU  68   2.145  -7.316  -0.551
  556   2HD1  LEU  68          2HD1      LEU  68   0.919  -6.050  -0.522
  557   3HD1  LEU  68          3HD1      LEU  68   2.277  -5.936  -1.638
  558   1HD2  LEU  68          1HD2      LEU  68  -0.055  -9.312  -2.471
  559   2HD2  LEU  68          2HD2      LEU  68  -0.452  -8.552  -0.932
  560   3HD2  LEU  68          3HD2      LEU  68   1.159  -9.215  -1.195
  561    H    LYS  69           H        LYS  69   2.322  -6.003  -4.238
  562    HA   LYS  69           HA       LYS  69   3.276  -3.790  -2.711
  563   1HB   LYS  69          2HB       LYS  69   4.564  -5.812  -4.508
  564   2HB   LYS  69          1HB       LYS  69   5.479  -4.411  -3.970
  565   1HG   LYS  69          2HG       LYS  69   5.074  -5.036  -1.644
  566   2HG   LYS  69          1HG       LYS  69   4.159  -6.443  -2.184
  567   1HD   LYS  69          2HD       LYS  69   6.399  -7.121  -1.600
  568   2HD   LYS  69          1HD       LYS  69   6.182  -7.265  -3.347
  569   1HE   LYS  69          2HE       LYS  69   7.383  -5.223  -3.721
  570   2HE   LYS  69          1HE       LYS  69   7.454  -4.891  -1.992
  571   1HZ   LYS  69          1HZ       LYS  69   9.146  -6.331  -1.697
  572   2HZ   LYS  69          2HZ       LYS  69   9.432  -6.034  -3.337
  573   3HZ   LYS  69          3HZ       LYS  69   8.594  -7.425  -2.863
  574    H    ASP  70           H        ASP  70   2.949  -4.429  -6.187
  575    HA   ASP  70           HA       ASP  70   4.220  -2.137  -7.147
  576   1HB   ASP  70          2HB       ASP  70   2.211  -4.045  -8.227
  577   2HB   ASP  70          1HB       ASP  70   2.366  -2.501  -9.058
  578    H    ASN  71           H        ASN  71   0.794  -2.637  -6.311
  579    HA   ASN  71           HA       ASN  71   0.003  -0.007  -7.034
  580   1HB   ASN  71          2HB       ASN  71  -1.274  -2.252  -5.531
  581   2HB   ASN  71          1HB       ASN  71  -2.000  -0.652  -5.450
  582   1HD2  ASN  71          1HD2      ASN  71  -2.645   0.355  -7.435
  583   2HD2  ASN  71          2HD2      ASN  71  -3.089  -0.619  -8.791
  584    H    PHE  72           H        PHE  72   0.734  -1.502  -3.869
  585    HA   PHE  72           HA       PHE  72   0.242   0.772  -2.298
  586   1HB   PHE  72          2HB       PHE  72   0.490  -1.349  -1.206
  587   2HB   PHE  72          1HB       PHE  72   2.103  -1.575  -1.871
  588    HD1  PHE  72           1HD      PHE  72   0.221   0.838   0.272
  589    HD2  PHE  72           2HD      PHE  72   3.901  -1.157  -0.499
  590    HE1  PHE  72           1HE      PHE  72   1.193   1.854   2.290
  591    HE2  PHE  72           2HE      PHE  72   4.876  -0.143   1.520
  592    HZ   PHE  72           HZ       PHE  72   3.520   1.364   2.916
  593    H    LYS  73           H        LYS  73   3.268  -0.414  -3.729
  594    HA   LYS  73           HA       LYS  73   4.900   1.707  -2.849
  595   1HB   LYS  73          2HB       LYS  73   5.158  -0.333  -5.038
  596   2HB   LYS  73          1HB       LYS  73   6.346   0.952  -4.869
  597   1HG   LYS  73          2HG       LYS  73   7.061   0.175  -2.782
  598   2HG   LYS  73          1HG       LYS  73   5.633  -0.841  -2.572
  599   1HD   LYS  73          2HD       LYS  73   6.685  -2.558  -3.517
  600   2HD   LYS  73          1HD       LYS  73   6.974  -1.608  -4.975
  601   1HE   LYS  73          2HE       LYS  73   9.029  -0.759  -4.103
  602   2HE   LYS  73          1HE       LYS  73   8.702  -1.446  -2.513
  603   1HZ   LYS  73          1HZ       LYS  73   9.409  -3.463  -3.148
  604   2HZ   LYS  73          2HZ       LYS  73  10.221  -2.621  -4.370
  605   3HZ   LYS  73          3HZ       LYS  73   8.732  -3.354  -4.696
  606    H    LEU  74           H        LEU  74   2.873   1.301  -5.716
  607    HA   LEU  74           HA       LEU  74   3.882   3.422  -7.236
  608   1HB   LEU  74          2HB       LEU  74   1.423   1.813  -7.210
  609   2HB   LEU  74          1HB       LEU  74   1.212   3.429  -7.860
  610    HG   LEU  74           HG       LEU  74   3.492   1.804  -8.882
  611   1HD1  LEU  74          1HD1      LEU  74   1.568   1.165 -10.669
  612   2HD1  LEU  74          2HD1      LEU  74   0.657   1.083  -9.163
  613   3HD1  LEU  74          3HD1      LEU  74   2.109   0.104  -9.370
  614   1HD2  LEU  74          1HD2      LEU  74   1.590   3.813 -10.080
  615   2HD2  LEU  74          2HD2      LEU  74   2.864   2.983 -10.975
  616   3HD2  LEU  74          3HD2      LEU  74   3.280   4.069  -9.650
  617    H    MET  75           H        MET  75   1.254   3.413  -4.793
  618    HA   MET  75           HA       MET  75   0.673   6.177  -5.105
  619   1HB   MET  75          2HB       MET  75  -0.654   4.250  -3.853
  620   2HB   MET  75          1HB       MET  75   0.229   4.869  -2.465
  621   1HG   MET  75          2HG       MET  75  -0.849   7.093  -3.871
  622   2HG   MET  75          1HG       MET  75  -2.124   5.893  -3.677
  623   1HE   MET  75          1HE       MET  75   0.931   6.447  -1.196
  624   2HE   MET  75          2HE       MET  75   0.260   7.715  -0.172
  625   3HE   MET  75          3HE       MET  75   0.580   8.035  -1.874
  626    H    CYS  76           H        CYS  76   2.816   4.393  -2.916
  627    HA   CYS  76           HA       CYS  76   3.618   6.543  -1.299
  628   1HB   CYS  76          2HB       CYS  76   4.441   3.811  -1.740
  629   2HB   CYS  76          1HB       CYS  76   5.854   4.847  -1.593
  630    HG   CYS  76           HG       CYS  76   5.513   4.744   0.817
  631    H    THR  77           H        THR  77   5.086   5.208  -4.249
  632    HA   THR  77           HA       THR  77   7.151   7.157  -4.417
  633    HB   THR  77           HB       THR  77   6.012   5.416  -6.615
  634    HG1  THR  77           1HG      THR  77   6.730   4.006  -5.140
  635   1HG2  THR  77          1HG2      THR  77   7.550   7.306  -7.295
  636   2HG2  THR  77          2HG2      THR  77   8.024   5.679  -7.782
  637   3HG2  THR  77          3HG2      THR  77   8.816   6.456  -6.410
  638    H    ASN  78           H        ASN  78   3.899   6.895  -5.773
  639    HA   ASN  78           HA       ASN  78   4.085   9.087  -7.556
  640   1HB   ASN  78          2HB       ASN  78   1.760   7.645  -6.294
  641   2HB   ASN  78          1HB       ASN  78   1.538   9.010  -7.371
  642   1HD2  ASN  78          1HD2      ASN  78   0.314   6.996  -8.302
  643   2HD2  ASN  78          2HD2      ASN  78   1.160   6.125  -9.515
  644    H    ALA  79           H        ALA  79   3.154   8.780  -4.169
  645    HA   ALA  79           HA       ALA  79   2.156  11.436  -3.903
  646   1HB   ALA  79          1HB       ALA  79   2.376  10.979  -1.442
  647   2HB   ALA  79          2HB       ALA  79   3.036   9.399  -1.868
  648   3HB   ALA  79          3HB       ALA  79   1.389   9.823  -2.336
  649    H    MET  80           H        MET  80   5.292   9.895  -3.247
  650    HA   MET  80           HA       MET  80   6.449  12.263  -2.149
  651   1HB   MET  80          2HB       MET  80   8.542  11.065  -2.149
  652   2HB   MET  80          1HB       MET  80   7.265   9.993  -1.597
  653   1HG   MET  80          2HG       MET  80   7.721   8.526  -3.185
  654   2HG   MET  80          1HG       MET  80   7.605   9.755  -4.440
  655   1HE   MET  80          1HE       MET  80  11.212  11.093  -4.747
  656   2HE   MET  80          2HE       MET  80   9.798  11.789  -3.954
  657   3HE   MET  80          3HE       MET  80   9.628  10.986  -5.515
  658    H    ILE  81           H        ILE  81   6.212  10.942  -5.409
  659    HA   ILE  81           HA       ILE  81   8.232  12.616  -6.524
  660    HB   ILE  81           HB       ILE  81   7.558  10.586  -7.692
  661   1HG1  ILE  81          2HG1      ILE  81   6.692  12.627  -9.648
  662   2HG1  ILE  81          1HG1      ILE  81   8.211  12.961  -8.821
  663   1HG2  ILE  81          1HG2      ILE  81   4.941  11.973  -8.246
  664   2HG2  ILE  81          2HG2      ILE  81   5.173  10.620  -7.141
  665   3HG2  ILE  81          3HG2      ILE  81   5.447  10.401  -8.866
  666   1HD1  ILE  81          1HD1      ILE  81   8.834  11.835 -10.754
  667   2HD1  ILE  81          2HD1      ILE  81   7.516  10.672 -10.616
  668   3HD1  ILE  81          3HD1      ILE  81   8.883  10.592  -9.505
  669    H    TYR  82           H        TYR  82   4.659  12.905  -6.354
  670    HA   TYR  82           HA       TYR  82   4.901  15.631  -7.408
  671   1HB   TYR  82          2HB       TYR  82   3.108  13.804  -8.100
  672   2HB   TYR  82          1HB       TYR  82   2.256  14.440  -6.697
  673    HD1  TYR  82           1HD      TYR  82   4.161  15.860  -9.598
  674    HD2  TYR  82           2HD      TYR  82   0.656  16.024  -7.191
  675    HE1  TYR  82           1HE      TYR  82   3.306  17.705 -10.979
  676    HE2  TYR  82           2HE      TYR  82  -0.206  17.868  -8.568
  677    HH   TYR  82           HH       TYR  82   1.676  19.626 -10.688
  678    H    ASN  83           H        ASN  83   5.940  15.139  -4.805
  679    HA   ASN  83           HA       ASN  83   4.654  17.223  -3.361
  680   1HB   ASN  83          2HB       ASN  83   3.352  14.903  -2.950
  681   2HB   ASN  83          1HB       ASN  83   4.615  14.732  -1.734
  682   1HD2  ASN  83          1HD2      ASN  83   1.670  16.223  -2.562
  683   2HD2  ASN  83          2HD2      ASN  83   1.499  17.200  -1.149
  684    H    LYS  84           H        LYS  84   6.523  18.246  -2.945
  685    HA   LYS  84           HA       LYS  84   8.929  16.848  -2.220
  686   1HB   LYS  84          2HB       LYS  84   8.161  19.598  -2.899
  687   2HB   LYS  84          1HB       LYS  84   9.394  19.507  -1.649
  688   1HG   LYS  84          2HG       LYS  84  10.645  17.944  -3.219
  689   2HG   LYS  84          1HG       LYS  84   9.510  18.474  -4.464
  690   1HD   LYS  84          2HD       LYS  84  11.092  20.056  -4.818
  691   2HD   LYS  84          1HD       LYS  84  10.259  20.864  -3.491
  692   1HE   LYS  84          2HE       LYS  84  12.563  20.955  -2.972
  693   2HE   LYS  84          1HE       LYS  84  11.875  19.710  -1.932
  694   1HZ   LYS  84          1HZ       LYS  84  12.621  18.231  -4.006
  695   2HZ   LYS  84          2HZ       LYS  84  13.641  18.557  -2.698
  696   3HZ   LYS  84          3HZ       LYS  84  13.778  19.460  -4.120
  697    HA   PRO  85           HA       PRO  85   8.787  16.928   2.191
  698   1HB   PRO  85          2HB       PRO  85  11.103  18.169   2.956
  699   2HB   PRO  85          1HB       PRO  85  11.034  16.512   2.349
  700   1HG   PRO  85          2HG       PRO  85  11.740  19.035   0.901
  701   2HG   PRO  85          1HG       PRO  85  12.524  17.446   0.824
  702   1HD   PRO  85          2HD       PRO  85  10.833  18.278  -1.088
  703   2HD   PRO  85          1HD       PRO  85  10.905  16.578  -0.587
  704    H    GLU  86           H        GLU  86   6.972  18.503   1.893
  705    HA   GLU  86           HA       GLU  86   7.453  21.288   2.400
  706   1HB   GLU  86          2HB       GLU  86   5.520  20.274   1.078
  707   2HB   GLU  86          1HB       GLU  86   4.812  19.849   2.629
  708   1HG   GLU  86          2HG       GLU  86   4.044  21.904   2.941
  709   2HG   GLU  86          1HG       GLU  86   5.603  22.629   2.548
  710    H    THR  87           H        THR  87   5.710  18.779   4.260
  711    HA   THR  87           HA       THR  87   6.736  19.956   6.731
  712    HB   THR  87           HB       THR  87   4.457  19.814   7.756
  713    HG1  THR  87           1HG      THR  87   3.719  19.282   5.073
  714   1HG2  THR  87          1HG2      THR  87   4.056  21.946   7.299
  715   2HG2  THR  87          2HG2      THR  87   3.853  21.632   5.577
  716   3HG2  THR  87          3HG2      THR  87   5.467  21.865   6.247
  717    H    ILE  88           H        ILE  88   4.128  17.598   6.341
  718    HA   ILE  88           HA       ILE  88   5.950  15.498   7.315
  719    HB   ILE  88           HB       ILE  88   3.043  15.714   8.102
  720   1HG1  ILE  88          2HG1      ILE  88   4.552  16.162  10.386
  721   2HG1  ILE  88          1HG1      ILE  88   5.399  17.098   9.161
  722   1HG2  ILE  88          1HG2      ILE  88   5.227  13.802   8.609
  723   2HG2  ILE  88          2HG2      ILE  88   3.483  13.551   8.567
  724   3HG2  ILE  88          3HG2      ILE  88   4.242  14.226  10.007
  725   1HD1  ILE  88          1HD1      ILE  88   2.607  17.583   8.901
  726   2HD1  ILE  88          2HD1      ILE  88   3.897  18.703   9.333
  727   3HD1  ILE  88          3HD1      ILE  88   3.072  17.783  10.591
  728    H    TYR  89           H        TYR  89   4.182  16.428   4.706
  729    HA   TYR  89           HA       TYR  89   2.730  14.091   4.038
  730   1HB   TYR  89          2HB       TYR  89   3.820  16.364   2.376
  731   2HB   TYR  89          1HB       TYR  89   2.917  15.030   1.667
  732    HD1  TYR  89           2HD      TYR  89   0.667  14.524   3.224
  733    HD2  TYR  89           1HD      TYR  89   2.576  18.279   2.616
  734    HE1  TYR  89           2HE      TYR  89  -1.444  15.673   3.732
  735    HE2  TYR  89           1HE      TYR  89   0.467  19.437   3.125
  736    HH   TYR  89           HH       TYR  89  -2.068  18.071   4.640
  737    H    TYR  90           H        TYR  90   5.985  15.227   3.142
  738    HA   TYR  90           HA       TYR  90   6.635  12.998   1.522
  739   1HB   TYR  90          2HB       TYR  90   7.825  15.312   1.733
  740   2HB   TYR  90          1HB       TYR  90   8.724  14.541   3.035
  741    HD1  TYR  90           1HD      TYR  90  10.024  12.412   2.491
  742    HD2  TYR  90           2HD      TYR  90   8.436  14.979  -0.505
  743    HE1  TYR  90           1HE      TYR  90  11.563  11.432   0.844
  744    HE2  TYR  90           2HE      TYR  90   9.969  14.006  -2.162
  745    HH   TYR  90           HH       TYR  90  12.494  12.669  -1.773
  746    H    LYS  91           H        LYS  91   7.267  13.719   4.944
  747    HA   LYS  91           HA       LYS  91   8.736  11.376   5.498
  748   1HB   LYS  91          2HB       LYS  91   7.881  13.642   6.937
  749   2HB   LYS  91          1HB       LYS  91   7.234  12.252   7.798
  750   1HG   LYS  91          2HG       LYS  91   9.275  11.518   8.437
  751   2HG   LYS  91          1HG       LYS  91  10.066  12.089   6.967
  752   1HD   LYS  91          2HD       LYS  91  10.805  13.867   8.074
  753   2HD   LYS  91          1HD       LYS  91   9.138  14.371   8.360
  754   1HE   LYS  91          2HE       LYS  91  10.501  12.329  10.091
  755   2HE   LYS  91          1HE       LYS  91  10.657  14.058  10.399
  756   1HZ   LYS  91          1HZ       LYS  91   8.746  12.577  11.468
  757   2HZ   LYS  91          2HZ       LYS  91   7.948  13.038  10.051
  758   3HZ   LYS  91          3HZ       LYS  91   8.534  14.217  11.111
  759    H    ALA  92           H        ALA  92   5.269  12.097   5.634
  760    HA   ALA  92           HA       ALA  92   4.388   9.775   6.919
  761   1HB   ALA  92          1HB       ALA  92   3.106  11.697   5.022
  762   2HB   ALA  92          2HB       ALA  92   2.736  11.373   6.715
  763   3HB   ALA  92          3HB       ALA  92   2.260  10.217   5.472
  764    H    ALA  93           H        ALA  93   4.920  10.417   3.458
  765    HA   ALA  93           HA       ALA  93   4.025   7.930   2.492
  766   1HB   ALA  93          1HB       ALA  93   4.944   8.531   0.431
  767   2HB   ALA  93          2HB       ALA  93   6.225   9.489   1.174
  768   3HB   ALA  93          3HB       ALA  93   4.564  10.078   1.186
  769    H    LYS  94           H        LYS  94   7.277   9.041   3.429
  770    HA   LYS  94           HA       LYS  94   8.652   6.669   2.788
  771   1HB   LYS  94          2HB       LYS  94   9.663   8.936   3.316
  772   2HB   LYS  94          1HB       LYS  94   9.395   8.569   5.015
  773   1HG   LYS  94          2HG       LYS  94  10.728   6.379   4.401
  774   2HG   LYS  94          1HG       LYS  94  11.342   7.400   3.099
  775   1HD   LYS  94          2HD       LYS  94  12.391   8.852   4.553
  776   2HD   LYS  94          1HD       LYS  94  11.327   8.442   5.899
  777   1HE   LYS  94          2HE       LYS  94  12.440   6.409   6.299
  778   2HE   LYS  94          1HE       LYS  94  13.253   6.453   4.735
  779   1HZ   LYS  94          1HZ       LYS  94  14.944   7.169   6.032
  780   2HZ   LYS  94          2HZ       LYS  94  13.933   7.816   7.223
  781   3HZ   LYS  94          3HZ       LYS  94  14.209   8.674   5.791
  782    H    LYS  95           H        LYS  95   7.018   7.714   5.756
  783    HA   LYS  95           HA       LYS  95   7.849   5.606   7.412
  784   1HB   LYS  95          2HB       LYS  95   6.556   7.817   7.959
  785   2HB   LYS  95          1HB       LYS  95   5.128   6.826   7.700
  786   1HG   LYS  95          2HG       LYS  95   5.382   6.546   9.940
  787   2HG   LYS  95          1HG       LYS  95   6.377   5.207   9.368
  788   1HD   LYS  95          2HD       LYS  95   7.643   7.877   9.778
  789   2HD   LYS  95          1HD       LYS  95   7.275   6.883  11.188
  790   1HE   LYS  95          2HE       LYS  95   9.225   5.866  10.828
  791   2HE   LYS  95          1HE       LYS  95   8.463   5.110   9.430
  792   1HZ   LYS  95          1HZ       LYS  95  10.533   6.156   8.809
  793   2HZ   LYS  95          2HZ       LYS  95  10.012   7.646   9.413
  794   3HZ   LYS  95          3HZ       LYS  95   9.247   6.966   8.067
  795    H    LEU  96           H        LEU  96   5.078   5.892   5.217
  796    HA   LEU  96           HA       LEU  96   3.842   3.456   5.936
  797   1HB   LEU  96          2HB       LEU  96   3.573   5.427   3.764
  798   2HB   LEU  96          1HB       LEU  96   3.117   3.792   3.322
  799    HG   LEU  96           HG       LEU  96   1.155   4.980   4.034
  800   1HD1  LEU  96          1HD1      LEU  96   0.314   3.252   5.173
  801   2HD1  LEU  96          2HD1      LEU  96   1.472   3.434   6.492
  802   3HD1  LEU  96          3HD1      LEU  96   1.928   2.554   5.032
  803   1HD2  LEU  96          1HD2      LEU  96   2.860   5.728   6.371
  804   2HD2  LEU  96          2HD2      LEU  96   1.107   5.677   6.532
  805   3HD2  LEU  96          3HD2      LEU  96   1.850   6.747   5.346
  806    H    LEU  97           H        LEU  97   6.145   4.275   3.346
  807    HA   LEU  97           HA       LEU  97   6.273   1.793   2.093
  808   1HB   LEU  97          2HB       LEU  97   7.527   4.194   1.754
  809   2HB   LEU  97          1HB       LEU  97   8.848   3.201   2.338
  810    HG   LEU  97           HG       LEU  97   7.124   2.404  -0.004
  811   1HD1  LEU  97          1HD1      LEU  97   8.052   4.257  -0.941
  812   2HD1  LEU  97          2HD1      LEU  97   9.373   3.118  -1.205
  813   3HD1  LEU  97          3HD1      LEU  97   9.442   4.250   0.145
  814   1HD2  LEU  97          1HD2      LEU  97   9.407   1.176  -0.448
  815   2HD2  LEU  97          2HD2      LEU  97   8.201   0.488   0.640
  816   3HD2  LEU  97          3HD2      LEU  97   9.590   1.356   1.297
  817    H    HIS  98           H        HIS  98   8.048   2.987   4.922
  818    HA   HIS  98           HA       HIS  98   9.770   0.782   5.236
  819   1HB   HIS  98          2HB       HIS  98   9.314   3.200   6.570
  820   2HB   HIS  98          1HB       HIS  98   8.994   1.958   7.775
  821    HD1  HIS  98           1HD      HIS  98  10.988   0.551   8.587
  822    HD2  HIS  98           2HD      HIS  98  11.983   3.367   5.697
  823    HE1  HIS  98           1HE      HIS  98  13.501   0.653   8.585
  824    HE2  HIS  98           2HE      HIS  98  14.082   2.365   6.830
  825    H    SER  99           H        SER  99   6.549   1.453   6.578
  826    HA   SER  99           HA       SER  99   6.417  -0.922   8.143
  827   1HB   SER  99          2HB       SER  99   5.031   1.144   8.536
  828   2HB   SER  99          1HB       SER  99   4.091   0.716   7.106
  829    HG   SER  99           HG       SER  99   3.151  -0.039   9.075
  830    H    GLY 100           H        GLY 100   5.292  -0.053   4.895
  831   1HA   GLY 100          2HA       GLY 100   3.841  -2.422   4.386
  832   2HA   GLY 100          1HA       GLY 100   4.484  -1.331   3.169
  833    H    MET 101           H        MET 101   7.255  -1.609   3.938
  834    HA   MET 101           HA       MET 101   7.886  -3.948   2.441
  835   1HB   MET 101          2HB       MET 101   9.428  -1.779   3.777
  836   2HB   MET 101          1HB       MET 101  10.276  -3.287   3.470
  837   1HG   MET 101          2HG       MET 101   9.239  -2.957   1.059
  838   2HG   MET 101          1HG       MET 101   9.239  -1.267   1.566
  839   1HE   MET 101          1HE       MET 101  10.441  -1.116  -0.585
  840   2HE   MET 101          2HE       MET 101  11.462  -2.485  -1.027
  841   3HE   MET 101          3HE       MET 101  12.195  -0.938  -0.604
  842    H    LYS 102           H        LYS 102   8.226  -3.096   5.894
  843    HA   LYS 102           HA       LYS 102   9.383  -5.578   6.628
  844   1HB   LYS 102          2HB       LYS 102   8.828  -4.918   8.966
  845   2HB   LYS 102          1HB       LYS 102   9.737  -3.710   8.076
  846   1HG   LYS 102          2HG       LYS 102   8.231  -2.247   8.776
  847   2HG   LYS 102          1HG       LYS 102   7.111  -2.993   7.640
  848   1HD   LYS 102          2HD       LYS 102   6.292  -4.482   9.358
  849   2HD   LYS 102          1HD       LYS 102   7.492  -3.873  10.500
  850   1HE   LYS 102          2HE       LYS 102   6.450  -1.610  10.253
  851   2HE   LYS 102          1HE       LYS 102   5.174  -2.366   9.299
  852   1HZ   LYS 102          1HZ       LYS 102   4.475  -2.131  11.574
  853   2HZ   LYS 102          2HZ       LYS 102   5.838  -2.962  12.134
  854   3HZ   LYS 102          3HZ       LYS 102   4.665  -3.775  11.225
  855    H    ILE 103           H        ILE 103   5.992  -4.430   6.698
  856    HA   ILE 103           HA       ILE 103   4.941  -6.693   7.994
  857    HB   ILE 103           HB       ILE 103   2.769  -6.031   7.067
  858   1HG1  ILE 103          2HG1      ILE 103   2.974  -3.640   5.869
  859   2HG1  ILE 103          1HG1      ILE 103   4.472  -4.366   5.308
  860   1HG2  ILE 103          1HG2      ILE 103   4.525  -4.061   8.425
  861   2HG2  ILE 103          2HG2      ILE 103   3.137  -4.953   9.046
  862   3HG2  ILE 103          3HG2      ILE 103   2.891  -3.583   7.964
  863   1HD1  ILE 103          1HD1      ILE 103   3.402  -5.604   3.816
  864   2HD1  ILE 103          2HD1      ILE 103   1.962  -4.658   4.188
  865   3HD1  ILE 103          3HD1      ILE 103   2.253  -6.185   5.019
  866    H    LEU 104           H        LEU 104   5.637  -6.039   4.597
  867    HA   LEU 104           HA       LEU 104   4.297  -8.333   3.575
  868   1HB   LEU 104          2HB       LEU 104   5.834  -6.140   2.536
  869   2HB   LEU 104          1HB       LEU 104   6.398  -7.638   1.822
  870    HG   LEU 104           HG       LEU 104   3.491  -7.459   1.846
  871   1HD1  LEU 104          1HD1      LEU 104   3.752  -5.763  -0.185
  872   2HD1  LEU 104          2HD1      LEU 104   5.070  -5.173   0.827
  873   3HD1  LEU 104          3HD1      LEU 104   3.427  -5.229   1.462
  874   1HD2  LEU 104          1HD2      LEU 104   4.107  -7.745  -0.706
  875   2HD2  LEU 104          2HD2      LEU 104   4.259  -9.079   0.436
  876   3HD2  LEU 104          3HD2      LEU 104   5.684  -8.156  -0.035
  877    H    SER 105           H        SER 105   7.345  -7.880   5.138
  878    HA   SER 105           HA       SER 105   8.459 -10.358   4.102
  879   1HB   SER 105          2HB       SER 105   9.594  -8.498   6.205
  880   2HB   SER 105          1HB       SER 105  10.456  -9.779   5.353
  881    HG   SER 105           HG       SER 105  10.765  -8.455   3.751
  882    H    GLN 106           H        GLN 106   6.019 -10.117   6.008
  883    HA   GLN 106           HA       GLN 106   7.029 -11.770   8.212
  884   1HB   GLN 106          2HB       GLN 106   4.562 -10.102   7.851
  885   2HB   GLN 106          1HB       GLN 106   4.612 -11.369   9.068
  886   1HG   GLN 106          2HG       GLN 106   6.921 -10.072   9.603
  887   2HG   GLN 106          1HG       GLN 106   5.922  -8.745   9.012
  888   1HE2  GLN 106          1HE2      GLN 106   3.626  -8.794   9.965
  889   2HE2  GLN 106          2HE2      GLN 106   3.535  -9.052  11.671
  890    H    GLU 107           H        GLU 107   4.921 -11.826   5.422
  891    HA   GLU 107           HA       GLU 107   3.347 -14.049   5.952
  892   1HB   GLU 107          2HB       GLU 107   4.529 -13.240   3.287
  893   2HB   GLU 107          1HB       GLU 107   3.162 -14.322   3.516
  894   1HG   GLU 107          2HG       GLU 107   1.725 -12.630   4.049
  895   2HG   GLU 107          1HG       GLU 107   3.003 -11.592   4.679
  896    H    ARG 108           H        ARG 108   6.714 -13.885   4.955
  897    HA   ARG 108           HA       ARG 108   6.823 -16.821   4.851
  898   1HB   ARG 108          2HB       ARG 108   8.937 -16.556   3.651
  899   2HB   ARG 108          1HB       ARG 108   7.642 -15.684   2.845
  900   1HG   ARG 108          2HG       ARG 108   8.491 -13.620   4.087
  901   2HG   ARG 108          1HG       ARG 108   9.929 -14.579   4.439
  902   1HD   ARG 108          2HD       ARG 108   9.558 -14.974   1.739
  903   2HD   ARG 108          1HD       ARG 108   9.092 -13.288   1.960
  904    HE   ARG 108           HE       ARG 108  11.732 -14.402   2.167
  905   1HH1  ARG 108          1HH1      ARG 108   9.663 -11.762   3.176
  906   2HH1  ARG 108          2HH1      ARG 108  10.980 -10.681   3.475
  907   1HH2  ARG 108          1HH2      ARG 108  13.466 -12.976   2.573
  908   2HH2  ARG 108          2HH2      ARG 108  13.143 -11.371   3.135
  909    H    LEU 109           H        LEU 109   6.601 -15.747   7.385
  910    HA   LEU 109           HA       LEU 109   9.286 -16.257   8.478
  911   1HB   LEU 109          2HB       LEU 109   7.704 -13.888   8.752
  912   2HB   LEU 109          1HB       LEU 109   7.847 -14.655  10.322
  913    HG   LEU 109           HG       LEU 109  10.177 -13.893   8.556
  914   1HD1  LEU 109          1HD1      LEU 109   9.304 -12.591  11.122
  915   2HD1  LEU 109          2HD1      LEU 109   8.836 -11.995   9.530
  916   3HD1  LEU 109          3HD1      LEU 109  10.540 -12.044   9.986
  917   1HD2  LEU 109          1HD2      LEU 109  11.462 -14.290  10.681
  918   2HD2  LEU 109          2HD2      LEU 109  10.811 -15.738   9.916
  919   3HD2  LEU 109          3HD2      LEU 109  10.013 -15.053  11.330
  920    H    GLU 110           H        GLU 110   5.933 -15.882   9.700
  921    HA   GLU 110           HA       GLU 110   6.255 -18.481  11.054
  922   1HB   GLU 110          2HB       GLU 110   5.197 -15.881  12.098
  923   2HB   GLU 110          1HB       GLU 110   4.570 -17.391  12.744
  924   1HG   GLU 110          2HG       GLU 110   6.276 -17.417  14.149
  925   2HG   GLU 110          1HG       GLU 110   7.344 -17.682  12.770
  926    H    HIS 111           H        HIS 111   4.901 -19.934  10.264
  927    HA   HIS 111           HA       HIS 111   2.220 -19.055   9.407
  928   1HB   HIS 111          2HB       HIS 111   2.273 -20.808   7.682
  929   2HB   HIS 111          1HB       HIS 111   3.582 -19.653   7.461
  930    HD1  HIS 111           1HD      HIS 111   3.054 -23.103   8.979
  931    HD2  HIS 111           2HD      HIS 111   6.021 -20.816   7.179
  932    HE1  HIS 111           1HE      HIS 111   5.033 -24.636   8.739
  933    HE2  HIS 111           2HE      HIS 111   6.832 -23.219   7.687
  934    H    HIS 112           H        HIS 112   3.085 -20.061  12.042
  935    HA   HIS 112           HA       HIS 112   1.058 -22.088  12.353
  936   1HB   HIS 112          2HB       HIS 112   2.499 -23.777  13.360
  937   2HB   HIS 112          1HB       HIS 112   3.034 -23.436  11.720
  938    HD1  HIS 112           1HD      HIS 112   4.946 -21.196  11.966
  939    HD2  HIS 112           2HD      HIS 112   4.708 -24.177  14.846
  940    HE1  HIS 112           1HE      HIS 112   7.152 -21.146  13.161
  941    HE2  HIS 112           2HE      HIS 112   6.956 -22.903  14.957
  942    H    HIS 113           H        HIS 113   0.350 -22.340  14.493
  943    HA   HIS 113           HA       HIS 113   1.114 -20.137  16.247
  944   1HB   HIS 113          2HB       HIS 113  -1.335 -21.218  15.621
  945   2HB   HIS 113          1HB       HIS 113  -0.999 -21.950  17.186
  946    HD1  HIS 113           1HD      HIS 113  -1.068 -18.480  15.630
  947    HD2  HIS 113           2HD      HIS 113  -1.652 -20.369  19.284
  948    HE1  HIS 113           1HE      HIS 113  -1.859 -16.681  17.198
  949    HE2  HIS 113           2HE      HIS 113  -2.306 -17.869  19.375
  950    H    HIS 114           H        HIS 114   3.144 -20.920  16.946
  951    HA   HIS 114           HA       HIS 114   3.003 -23.256  18.732
  952   1HB   HIS 114          2HB       HIS 114   4.656 -22.994  16.616
  953   2HB   HIS 114          1HB       HIS 114   5.660 -22.271  17.868
  954    HD1  HIS 114           1HD      HIS 114   5.820 -23.908  20.126
  955    HD2  HIS 114           2HD      HIS 114   4.946 -25.673  16.467
  956    HE1  HIS 114           1HE      HIS 114   6.372 -26.346  20.407
  957    HE2  HIS 114           2HE      HIS 114   5.711 -27.412  18.223
  958    H    HIS 115           H        HIS 115   2.333 -22.143  20.563
  959    HA   HIS 115           HA       HIS 115   4.343 -20.318  21.712
  960   1HB   HIS 115          2HB       HIS 115   1.550 -19.848  21.227
  961   2HB   HIS 115          1HB       HIS 115   1.853 -19.810  22.960
  962    HD1  HIS 115           1HD      HIS 115   1.042 -17.242  21.557
  963    HD2  HIS 115           2HD      HIS 115   4.999 -18.401  22.076
  964    HE1  HIS 115           1HE      HIS 115   2.387 -15.121  21.426
  965    HE2  HIS 115           2HE      HIS 115   4.769 -15.838  21.821
  966    H    HIS 116           H        HIS 116   1.762 -22.650  22.466
  967    HA   HIS 116           HA       HIS 116   3.146 -23.246  24.997
  968   1HB   HIS 116          2HB       HIS 116   0.227 -23.392  24.252
  969   2HB   HIS 116          1HB       HIS 116   0.871 -24.232  25.659
  970    HD1  HIS 116           1HD      HIS 116  -0.141 -20.887  24.441
  971    HD2  HIS 116           2HD      HIS 116   1.779 -22.516  27.747
  972    HE1  HIS 116           1HE      HIS 116  -0.124 -19.065  26.175
  973    HE2  HIS 116           2HE      HIS 116   0.978 -20.097  28.192
  Start of MODEL    9
    1   1H    MET   0          1HT       MET   0  -7.934 -30.713  -7.043
    2   2H    MET   0          2HT       MET   0  -9.347 -30.526  -6.087
    3   3H    MET   0          3HT       MET   0  -7.797 -30.499  -5.348
    4    HA   MET   0           HA       MET   0  -7.249 -28.510  -6.542
    5   1HB   MET   0          2HB       MET   0 -10.027 -28.957  -7.617
    6   2HB   MET   0          1HB       MET   0  -9.304 -27.353  -7.604
    7   1HG   MET   0          2HG       MET   0  -7.960 -27.809  -9.332
    8   2HG   MET   0          1HG       MET   0  -7.592 -29.431  -8.749
    9   1HE   MET   0          1HE       MET   0  -9.984 -31.746 -10.121
   10   2HE   MET   0          2HE       MET   0  -8.573 -31.348  -9.140
   11   3HE   MET   0          3HE       MET   0  -8.431 -31.430 -10.895
   12    H    GLU   1           H        GLU   1  -6.984 -27.384  -4.721
   13    HA   GLU   1           HA       GLU   1  -9.204 -27.088  -2.849
   14   1HB   GLU   1          2HB       GLU   1  -6.252 -26.830  -2.687
   15   2HB   GLU   1          1HB       GLU   1  -7.195 -25.791  -1.631
   16   1HG   GLU   1          2HG       GLU   1  -8.046 -28.590  -1.639
   17   2HG   GLU   1          1HG       GLU   1  -6.408 -28.320  -1.042
   18    H    GLU   2           H        GLU   2 -10.552 -25.455  -3.223
   19    HA   GLU   2           HA       GLU   2  -9.525 -22.981  -4.404
   20   1HB   GLU   2          2HB       GLU   2 -11.867 -22.376  -4.760
   21   2HB   GLU   2          1HB       GLU   2 -11.521 -23.959  -5.437
   22   1HG   GLU   2          2HG       GLU   2 -13.354 -24.641  -4.378
   23   2HG   GLU   2          1HG       GLU   2 -12.385 -24.573  -2.910
   24    H    VAL   3           H        VAL   3  -9.215 -23.921  -1.507
   25    HA   VAL   3           HA       VAL   3 -10.390 -21.546  -0.226
   26    HB   VAL   3           HB       VAL   3  -9.512 -23.994   1.286
   27   1HG1  VAL   3          1HG1      VAL   3 -11.377 -21.700   1.877
   28   2HG1  VAL   3          2HG1      VAL   3  -9.828 -22.050   2.643
   29   3HG1  VAL   3          3HG1      VAL   3 -11.203 -23.121   2.907
   30   1HG2  VAL   3          1HG2      VAL   3 -11.099 -24.984  -0.091
   31   2HG2  VAL   3          2HG2      VAL   3 -12.089 -23.524  -0.173
   32   3HG2  VAL   3          3HG2      VAL   3 -12.057 -24.488   1.304
   33    H    GLU   4           H        GLU   4  -7.553 -22.546  -1.479
   34    HA   GLU   4           HA       GLU   4  -5.789 -21.847   0.699
   35   1HB   GLU   4          2HB       GLU   4  -5.241 -22.397  -2.220
   36   2HB   GLU   4          1HB       GLU   4  -3.996 -22.093  -1.016
   37   1HG   GLU   4          2HG       GLU   4  -4.259 -24.129  -0.017
   38   2HG   GLU   4          1HG       GLU   4  -5.952 -24.267  -0.491
   39    H    GLN   5           H        GLN   5  -7.372 -20.178  -1.887
   40    HA   GLN   5           HA       GLN   5  -5.538 -17.958  -1.960
   41   1HB   GLN   5          2HB       GLN   5  -8.350 -18.163  -3.050
   42   2HB   GLN   5          1HB       GLN   5  -7.178 -16.909  -3.436
   43   1HG   GLN   5          2HG       GLN   5  -6.728 -18.179  -5.214
   44   2HG   GLN   5          1HG       GLN   5  -5.782 -19.143  -4.080
   45   1HE2  GLN   5          1HE2      GLN   5  -9.226 -18.811  -4.918
   46   2HE2  GLN   5          2HE2      GLN   5  -9.514 -20.506  -5.097
   47    H    THR   6           H        THR   6  -8.468 -18.786  -0.236
   48    HA   THR   6           HA       THR   6  -9.357 -16.294   0.564
   49    HB   THR   6           HB       THR   6  -9.624 -18.123   2.763
   50    HG1  THR   6           1HG      THR   6 -10.096 -19.955   1.823
   51   1HG2  THR   6          1HG2      THR   6 -11.993 -18.191   1.390
   52   2HG2  THR   6          2HG2      THR   6 -11.318 -16.622   0.953
   53   3HG2  THR   6          3HG2      THR   6 -11.555 -17.042   2.651
   54    HA   PRO   7           HA       PRO   7  -6.557 -16.701   4.606
   55   1HB   PRO   7          2HB       PRO   7  -4.220 -18.107   3.965
   56   2HB   PRO   7          1HB       PRO   7  -5.536 -18.681   4.987
   57   1HG   PRO   7          2HG       PRO   7  -4.982 -19.243   2.119
   58   2HG   PRO   7          1HG       PRO   7  -5.668 -20.304   3.361
   59   1HD   PRO   7          2HD       PRO   7  -7.205 -19.182   1.475
   60   2HD   PRO   7          1HD       PRO   7  -7.794 -19.397   3.138
   61    H    LEU   8           H        LEU   8  -4.980 -16.888   1.421
   62    HA   LEU   8           HA       LEU   8  -2.910 -15.074   1.882
   63   1HB   LEU   8          2HB       LEU   8  -4.095 -16.392  -0.386
   64   2HB   LEU   8          1HB       LEU   8  -3.750 -14.722  -0.792
   65    HG   LEU   8           HG       LEU   8  -1.406 -15.376   0.349
   66   1HD1  LEU   8          1HD1      LEU   8  -2.232 -17.925  -1.017
   67   2HD1  LEU   8          2HD1      LEU   8  -2.259 -17.712   0.733
   68   3HD1  LEU   8          3HD1      LEU   8  -0.735 -17.591  -0.145
   69   1HD2  LEU   8          1HD2      LEU   8  -0.564 -15.098  -1.726
   70   2HD2  LEU   8          2HD2      LEU   8  -2.228 -14.657  -2.108
   71   3HD2  LEU   8          3HD2      LEU   8  -1.650 -16.289  -2.446
   72    H    GLN   9           H        GLN   9  -6.223 -14.515   0.728
   73    HA   GLN   9           HA       GLN   9  -5.954 -11.728   0.317
   74   1HB   GLN   9          2HB       GLN   9  -7.779 -13.074  -0.651
   75   2HB   GLN   9          1HB       GLN   9  -8.438 -13.333   0.958
   76   1HG   GLN   9          2HG       GLN   9  -8.377 -10.663   0.951
   77   2HG   GLN   9          1HG       GLN   9  -8.546 -10.949  -0.781
   78   1HE2  GLN   9          1HE2      GLN   9 -10.613 -10.297  -1.052
   79   2HE2  GLN   9          2HE2      GLN   9 -11.977 -11.046  -0.303
   80    H    GLU  10           H        GLU  10  -6.926 -13.664   3.116
   81    HA   GLU  10           HA       GLU  10  -7.793 -11.570   4.775
   82   1HB   GLU  10          2HB       GLU  10  -6.514 -14.210   5.523
   83   2HB   GLU  10          1HB       GLU  10  -7.337 -13.137   6.650
   84   1HG   GLU  10          2HG       GLU  10  -9.278 -13.429   4.831
   85   2HG   GLU  10          1HG       GLU  10  -8.439 -14.963   4.613
   86    H    ALA  11           H        ALA  11  -4.587 -13.062   4.391
   87    HA   ALA  11           HA       ALA  11  -3.230 -11.595   6.353
   88   1HB   ALA  11          1HB       ALA  11  -2.362 -13.611   5.158
   89   2HB   ALA  11          2HB       ALA  11  -1.207 -12.285   5.283
   90   3HB   ALA  11          3HB       ALA  11  -2.047 -12.579   3.761
   91    H    LEU  12           H        LEU  12  -3.904 -10.866   2.954
   92    HA   LEU  12           HA       LEU  12  -2.321  -8.574   2.685
   93   1HB   LEU  12          2HB       LEU  12  -4.639  -9.741   1.277
   94   2HB   LEU  12          1HB       LEU  12  -4.453  -8.009   1.087
   95    HG   LEU  12           HG       LEU  12  -3.395  -9.257  -0.740
   96   1HD1  LEU  12          1HD1      LEU  12  -1.663  -7.818  -0.925
   97   2HD1  LEU  12          2HD1      LEU  12  -1.062  -8.154   0.698
   98   3HD1  LEU  12          3HD1      LEU  12  -2.443  -7.080   0.475
   99   1HD2  LEU  12          1HD2      LEU  12  -1.958 -10.566   1.525
  100   2HD2  LEU  12          2HD2      LEU  12  -1.149 -10.382  -0.030
  101   3HD2  LEU  12          3HD2      LEU  12  -2.662 -11.280   0.075
  102    H    ASN  13           H        ASN  13  -5.691  -8.928   3.764
  103    HA   ASN  13           HA       ASN  13  -6.241  -6.188   4.096
  104   1HB   ASN  13          2HB       ASN  13  -7.425  -8.609   5.463
  105   2HB   ASN  13          1HB       ASN  13  -8.064  -6.977   5.630
  106   1HD2  ASN  13          1HD2      ASN  13  -9.398  -9.301   4.575
  107   2HD2  ASN  13          2HD2      ASN  13  -9.827  -8.932   2.944
  108    H    GLN  14           H        GLN  14  -4.692  -8.540   6.208
  109    HA   GLN  14           HA       GLN  14  -4.778  -7.021   8.588
  110   1HB   GLN  14          2HB       GLN  14  -2.808  -9.140   7.695
  111   2HB   GLN  14          1HB       GLN  14  -2.892  -8.483   9.323
  112   1HG   GLN  14          2HG       GLN  14  -5.032 -10.054   7.908
  113   2HG   GLN  14          1HG       GLN  14  -4.011 -10.612   9.231
  114   1HE2  GLN  14          1HE2      GLN  14  -7.019 -10.033   8.748
  115   2HE2  GLN  14          2HE2      GLN  14  -7.482  -9.197  10.187
  116    H    LEU  15           H        LEU  15  -2.360  -7.259   5.995
  117    HA   LEU  15           HA       LEU  15  -0.447  -5.543   7.157
  118   1HB   LEU  15          2HB       LEU  15   0.189  -6.981   5.348
  119   2HB   LEU  15          1HB       LEU  15  -1.014  -6.278   4.286
  120    HG   LEU  15           HG       LEU  15   1.151  -4.523   5.363
  121   1HD1  LEU  15          1HD1      LEU  15   1.481  -6.724   3.382
  122   2HD1  LEU  15          2HD1      LEU  15   2.597  -6.136   4.614
  123   3HD1  LEU  15          3HD1      LEU  15   2.347  -5.207   3.137
  124   1HD2  LEU  15          1HD2      LEU  15  -0.696  -4.585   3.029
  125   2HD2  LEU  15          2HD2      LEU  15   0.852  -3.758   2.863
  126   3HD2  LEU  15          3HD2      LEU  15  -0.288  -3.255   4.112
  127    H    MET  16           H        MET  16  -3.180  -4.948   4.992
  128    HA   MET  16           HA       MET  16  -2.696  -2.207   4.542
  129   1HB   MET  16          2HB       MET  16  -5.289  -3.763   4.486
  130   2HB   MET  16          1HB       MET  16  -5.099  -2.120   3.887
  131   1HG   MET  16          2HG       MET  16  -3.211  -4.090   2.791
  132   2HG   MET  16          1HG       MET  16  -4.904  -4.331   2.361
  133   1HE   MET  16          1HE       MET  16  -2.653  -0.384   1.547
  134   2HE   MET  16          2HE       MET  16  -1.919  -1.762   2.368
  135   3HE   MET  16          3HE       MET  16  -3.232  -0.871   3.140
  136    H    ARG  17           H        ARG  17  -4.758  -3.867   6.927
  137    HA   ARG  17           HA       ARG  17  -5.818  -1.567   8.131
  138   1HB   ARG  17          2HB       ARG  17  -5.450  -4.401   9.019
  139   2HB   ARG  17          1HB       ARG  17  -5.966  -3.195  10.188
  140   1HG   ARG  17          2HG       ARG  17  -7.750  -2.630   8.349
  141   2HG   ARG  17          1HG       ARG  17  -7.401  -4.277   7.820
  142   1HD   ARG  17          2HD       ARG  17  -7.699  -4.785  10.395
  143   2HD   ARG  17          1HD       ARG  17  -8.662  -3.310  10.335
  144    HE   ARG  17           HE       ARG  17  -9.639  -4.762   8.275
  145   1HH1  ARG  17          1HH1      ARG  17  -9.111  -5.490  11.660
  146   2HH1  ARG  17          2HH1      ARG  17 -10.417  -6.621  11.747
  147   1HH2  ARG  17          1HH2      ARG  17 -11.362  -6.253   8.398
  148   2HH2  ARG  17          2HH2      ARG  17 -11.696  -7.055   9.896
  149    H    GLN  18           H        GLN  18  -2.904  -3.444   8.899
  150    HA   GLN  18           HA       GLN  18  -2.158  -2.057  11.215
  151   1HB   GLN  18          2HB       GLN  18  -1.182  -4.212   9.978
  152   2HB   GLN  18          1HB       GLN  18  -0.028  -3.031   9.375
  153   1HG   GLN  18          2HG       GLN  18   1.110  -3.180  11.259
  154   2HG   GLN  18          1HG       GLN  18  -0.293  -2.616  12.164
  155   1HE2  GLN  18          1HE2      GLN  18   0.554  -5.622  10.450
  156   2HE2  GLN  18          2HE2      GLN  18   0.187  -6.672  11.771
  157    H    LEU  19           H        LEU  19  -1.293  -1.488   7.811
  158    HA   LEU  19           HA       LEU  19   0.371   0.752   8.320
  159   1HB   LEU  19          2HB       LEU  19  -0.930  -0.424   5.908
  160   2HB   LEU  19          1HB       LEU  19  -0.299   1.207   5.801
  161    HG   LEU  19           HG       LEU  19   1.511  -0.886   6.887
  162   1HD1  LEU  19          1HD1      LEU  19   1.546  -2.172   5.083
  163   2HD1  LEU  19          2HD1      LEU  19   1.819  -0.768   4.050
  164   3HD1  LEU  19          3HD1      LEU  19   0.173  -1.273   4.436
  165   1HD2  LEU  19          1HD2      LEU  19   3.190   0.479   6.053
  166   2HD2  LEU  19          2HD2      LEU  19   1.963   1.637   6.563
  167   3HD2  LEU  19          3HD2      LEU  19   2.132   1.226   4.857
  168    H    GLN  20           H        GLN  20  -3.061   0.429   7.489
  169    HA   GLN  20           HA       GLN  20  -3.601   3.174   7.156
  170   1HB   GLN  20          2HB       GLN  20  -5.049   0.810   6.942
  171   2HB   GLN  20          1HB       GLN  20  -5.843   1.666   8.255
  172   1HG   GLN  20          2HG       GLN  20  -6.929   2.893   6.779
  173   2HG   GLN  20          1HG       GLN  20  -5.397   3.548   6.206
  174   1HE2  GLN  20          1HE2      GLN  20  -7.548   3.289   4.521
  175   2HE2  GLN  20          2HE2      GLN  20  -7.224   2.061   3.350
  176    H    ARG  21           H        ARG  21  -3.769   1.071  10.001
  177    HA   ARG  21           HA       ARG  21  -4.789   3.112  11.728
  178   1HB   ARG  21          2HB       ARG  21  -4.495   0.333  11.849
  179   2HB   ARG  21          1HB       ARG  21  -3.455   0.953  13.122
  180   1HG   ARG  21          2HG       ARG  21  -5.182   1.577  14.402
  181   2HG   ARG  21          1HG       ARG  21  -6.113   2.183  13.031
  182   1HD   ARG  21          2HD       ARG  21  -6.571  -0.219  12.424
  183   2HD   ARG  21          1HD       ARG  21  -5.853  -0.669  13.972
  184    HE   ARG  21           HE       ARG  21  -7.858   1.254  14.409
  185   1HH1  ARG  21          1HH1      ARG  21  -7.525  -2.099  13.452
  186   2HH1  ARG  21          2HH1      ARG  21  -9.076  -2.557  14.069
  187   1HH2  ARG  21          1HH2      ARG  21  -9.905   0.640  15.219
  188   2HH2  ARG  21          2HH2      ARG  21 -10.425  -1.005  15.070
  189    H    LYS  22           H        LYS  22  -1.640   2.369  10.581
  190    HA   LYS  22           HA       LYS  22   0.038   2.948  12.668
  191   1HB   LYS  22          2HB       LYS  22   0.212   3.037   9.771
  192   2HB   LYS  22          1HB       LYS  22   1.200   4.285  10.513
  193   1HG   LYS  22          2HG       LYS  22   1.857   2.152  12.037
  194   2HG   LYS  22          1HG       LYS  22   1.538   1.373  10.487
  195   1HD   LYS  22          2HD       LYS  22   3.801   1.894  10.373
  196   2HD   LYS  22          1HD       LYS  22   3.037   3.219   9.496
  197   1HE   LYS  22          2HE       LYS  22   3.567   4.753  11.079
  198   2HE   LYS  22          1HE       LYS  22   3.400   3.602  12.403
  199   1HZ   LYS  22          1HZ       LYS  22   5.657   4.019  12.340
  200   2HZ   LYS  22          2HZ       LYS  22   5.724   4.072  10.652
  201   3HZ   LYS  22          3HZ       LYS  22   5.541   2.591  11.443
  202    H    ASP  23           H        ASP  23  -0.706   5.463  10.246
  203    HA   ASP  23           HA       ASP  23  -1.807   7.419  11.753
  204   1HB   ASP  23          2HB       ASP  23   0.863   7.000  12.666
  205   2HB   ASP  23          1HB       ASP  23   0.779   8.582  11.906
  206    HA   PRO  24           HA       PRO  24   0.777   9.551   8.167
  207   1HB   PRO  24          2HB       PRO  24   1.850   7.099   6.891
  208   2HB   PRO  24          1HB       PRO  24   2.632   8.657   7.168
  209   1HG   PRO  24          2HG       PRO  24   3.281   6.532   8.638
  210   2HG   PRO  24          1HG       PRO  24   3.170   8.143   9.365
  211   1HD   PRO  24          2HD       PRO  24   1.224   5.882   9.486
  212   2HD   PRO  24          1HD       PRO  24   1.730   7.010  10.759
  213    H    SER  25           H        SER  25  -0.707   6.363   7.772
  214    HA   SER  25           HA       SER  25  -1.627   6.656   5.138
  215   1HB   SER  25          2HB       SER  25  -2.688   5.007   7.437
  216   2HB   SER  25          1HB       SER  25  -3.346   4.921   5.801
  217    HG   SER  25           HG       SER  25  -1.768   3.639   5.343
  218    H    ALA  26           H        ALA  26  -2.758   8.102   8.076
  219    HA   ALA  26           HA       ALA  26  -5.449   8.503   7.600
  220   1HB   ALA  26          1HB       ALA  26  -4.129   9.175   9.640
  221   2HB   ALA  26          2HB       ALA  26  -5.351  10.326   9.104
  222   3HB   ALA  26          3HB       ALA  26  -3.649  10.620   8.748
  223    H    PHE  27           H        PHE  27  -2.719  10.025   6.032
  224    HA   PHE  27           HA       PHE  27  -4.365  12.058   4.771
  225   1HB   PHE  27          2HB       PHE  27  -1.441  11.389   4.392
  226   2HB   PHE  27          1HB       PHE  27  -2.271  12.781   3.703
  227    HD1  PHE  27           2HD      PHE  27  -1.070  11.246   6.827
  228    HD2  PHE  27           1HD      PHE  27  -2.742  14.711   5.008
  229    HE1  PHE  27           2HE      PHE  27  -0.568  12.549   8.854
  230    HE2  PHE  27           1HE      PHE  27  -2.247  16.019   7.033
  231    HZ   PHE  27           HZ       PHE  27  -1.159  14.938   8.959
  232    H    PHE  28           H        PHE  28  -2.830   8.995   3.923
  233    HA   PHE  28           HA       PHE  28  -3.945   9.237   1.204
  234   1HB   PHE  28          2HB       PHE  28  -1.844   7.245   2.056
  235   2HB   PHE  28          1HB       PHE  28  -2.265   7.752   0.425
  236    HD1  PHE  28           1HD      PHE  28  -2.016  10.419   0.097
  237    HD2  PHE  28           2HD      PHE  28   0.133   8.035   2.891
  238    HE1  PHE  28           1HE      PHE  28  -0.236  12.114   0.169
  239    HE2  PHE  28           2HE      PHE  28   1.919   9.728   2.968
  240    HZ   PHE  28           HZ       PHE  28   1.734  11.771   1.603
  241    H    SER  29           H        SER  29  -5.475   8.457   3.578
  242    HA   SER  29           HA       SER  29  -5.899   5.597   3.265
  243   1HB   SER  29          2HB       SER  29  -5.934   6.359   5.527
  244   2HB   SER  29          1HB       SER  29  -7.054   7.664   5.144
  245    HG   SER  29           HG       SER  29  -7.641   5.223   5.955
  246    H    PHE  30           H        PHE  30  -6.932   8.286   1.635
  247    HA   PHE  30           HA       PHE  30  -9.422   6.944   0.832
  248   1HB   PHE  30          2HB       PHE  30  -9.065   9.633   1.907
  249   2HB   PHE  30          1HB       PHE  30  -9.860   9.645   0.338
  250    HD1  PHE  30           1HD      PHE  30 -10.064   7.445   3.364
  251    HD2  PHE  30           2HD      PHE  30 -12.121   9.857   0.524
  252    HE1  PHE  30           1HE      PHE  30 -12.203   6.889   4.446
  253    HE2  PHE  30           2HE      PHE  30 -14.261   9.306   1.600
  254    HZ   PHE  30           HZ       PHE  30 -14.306   7.822   3.563
  255    HA   PRO  31           HA       PRO  31  -7.936   7.349  -3.300
  256   1HB   PRO  31          2HB       PRO  31 -10.220   7.685  -4.717
  257   2HB   PRO  31          1HB       PRO  31  -9.795   6.151  -3.951
  258   1HG   PRO  31          2HG       PRO  31 -11.669   8.282  -3.009
  259   2HG   PRO  31          1HG       PRO  31 -11.867   6.521  -2.974
  260   1HD   PRO  31          2HD       PRO  31 -11.122   7.976  -0.800
  261   2HD   PRO  31          1HD       PRO  31 -10.622   6.293  -1.058
  262    H    VAL  32           H        VAL  32  -6.732   9.204  -3.512
  263    HA   VAL  32           HA       VAL  32  -7.631  11.811  -3.270
  264    HB   VAL  32           HB       VAL  32  -5.692  12.326  -4.966
  265   1HG1  VAL  32          1HG1      VAL  32  -4.101  12.199  -3.103
  266   2HG1  VAL  32          2HG1      VAL  32  -5.246  11.198  -2.208
  267   3HG1  VAL  32          3HG1      VAL  32  -5.657  12.866  -2.608
  268   1HG2  VAL  32          1HG2      VAL  32  -5.725   9.605  -5.196
  269   2HG2  VAL  32          2HG2      VAL  32  -4.414   9.882  -4.053
  270   3HG2  VAL  32          3HG2      VAL  32  -4.381  10.657  -5.635
  271    H    THR  33           H        THR  33  -8.245  13.413  -4.716
  272    HA   THR  33           HA       THR  33  -9.005  12.547  -7.412
  273    HB   THR  33           HB       THR  33 -10.927  14.364  -6.103
  274    HG1  THR  33           1HG      THR  33 -11.902  12.722  -4.911
  275   1HG2  THR  33          1HG2      THR  33 -12.204  12.083  -7.091
  276   2HG2  THR  33          2HG2      THR  33 -10.909  12.451  -8.231
  277   3HG2  THR  33          3HG2      THR  33 -12.111  13.681  -7.832
  278    H    ASP  34           H        ASP  34 -10.275  14.937  -8.179
  279    HA   ASP  34           HA       ASP  34  -7.992  16.584  -8.673
  280   1HB   ASP  34          2HB       ASP  34 -10.346  16.096  -9.989
  281   2HB   ASP  34          1HB       ASP  34 -10.615  17.711  -9.346
  282    H    PHE  35           H        PHE  35  -9.926  16.407  -6.004
  283    HA   PHE  35           HA       PHE  35  -9.387  19.213  -5.305
  284   1HB   PHE  35          2HB       PHE  35 -11.822  17.770  -4.280
  285   2HB   PHE  35          1HB       PHE  35 -11.490  19.498  -4.291
  286    HD1  PHE  35           2HD      PHE  35 -12.067  16.636  -6.601
  287    HD2  PHE  35           1HD      PHE  35 -12.410  20.826  -5.937
  288    HE1  PHE  35           2HE      PHE  35 -13.331  16.864  -8.703
  289    HE2  PHE  35           1HE      PHE  35 -13.670  21.062  -8.035
  290    HZ   PHE  35           HZ       PHE  35 -14.133  19.080  -9.422
  291    H    ILE  36           H        ILE  36 -10.051  15.936  -4.155
  292    HA   ILE  36           HA       ILE  36  -9.305  16.357  -1.467
  293    HB   ILE  36           HB       ILE  36  -9.463  13.869  -3.164
  294   1HG1  ILE  36          2HG1      ILE  36 -11.184  14.610  -0.811
  295   2HG1  ILE  36          1HG1      ILE  36 -11.528  15.237  -2.419
  296   1HG2  ILE  36          1HG2      ILE  36  -7.853  13.295  -1.561
  297   2HG2  ILE  36          2HG2      ILE  36  -9.373  12.661  -0.936
  298   3HG2  ILE  36          3HG2      ILE  36  -8.702  14.152  -0.275
  299   1HD1  ILE  36          1HD1      ILE  36 -11.139  12.419  -2.583
  300   2HD1  ILE  36          2HD1      ILE  36 -12.580  13.371  -2.945
  301   3HD1  ILE  36          3HD1      ILE  36 -12.301  12.777  -1.307
  302    H    ALA  37           H        ALA  37  -7.494  15.734  -4.386
  303    HA   ALA  37           HA       ALA  37  -5.025  15.346  -2.838
  304   1HB   ALA  37          1HB       ALA  37  -5.985  14.005  -5.041
  305   2HB   ALA  37          2HB       ALA  37  -4.322  13.978  -4.456
  306   3HB   ALA  37          3HB       ALA  37  -4.790  15.105  -5.727
  307    HA   PRO  38           HA       PRO  38  -3.609  19.391  -3.901
  308   1HB   PRO  38          2HB       PRO  38  -0.937  19.068  -3.804
  309   2HB   PRO  38          1HB       PRO  38  -1.942  19.067  -2.351
  310   1HG   PRO  38          2HG       PRO  38  -0.804  16.760  -3.878
  311   2HG   PRO  38          1HG       PRO  38  -0.919  16.993  -2.126
  312   1HD   PRO  38          2HD       PRO  38  -2.652  15.443  -3.551
  313   2HD   PRO  38          1HD       PRO  38  -3.096  16.274  -2.049
  314    H    GLY  39           H        GLY  39  -3.293  16.893  -5.938
  315   1HA   GLY  39          2HA       GLY  39  -3.442  17.930  -8.339
  316   2HA   GLY  39          1HA       GLY  39  -1.759  18.292  -7.992
  317    H    TYR  40           H        TYR  40  -3.345  15.339  -6.909
  318    HA   TYR  40           HA       TYR  40  -1.343  13.692  -8.044
  319   1HB   TYR  40          2HB       TYR  40  -3.971  13.163  -6.689
  320   2HB   TYR  40          1HB       TYR  40  -3.119  11.848  -7.487
  321    HD1  TYR  40           1HD      TYR  40  -1.940  14.708  -5.385
  322    HD2  TYR  40           2HD      TYR  40  -2.146  10.479  -5.876
  323    HE1  TYR  40           1HE      TYR  40  -0.554  14.411  -3.383
  324    HE2  TYR  40           2HE      TYR  40  -0.761  10.178  -3.874
  325    HH   TYR  40           HH       TYR  40  -0.078  12.725  -1.701
  326    H    SER  41           H        SER  41  -4.778  14.153  -8.909
  327    HA   SER  41           HA       SER  41  -4.712  12.474 -11.181
  328   1HB   SER  41          2HB       SER  41  -6.738  13.495  -9.861
  329   2HB   SER  41          1HB       SER  41  -6.584  14.808 -11.029
  330    HG   SER  41           HG       SER  41  -7.917  13.423 -12.020
  331    H    MET  42           H        MET  42  -3.696  15.766 -10.713
  332    HA   MET  42           HA       MET  42  -3.762  16.492 -13.482
  333   1HB   MET  42          2HB       MET  42  -3.958  18.093 -11.558
  334   2HB   MET  42          1HB       MET  42  -2.246  17.842 -11.251
  335   1HG   MET  42          2HG       MET  42  -1.915  19.578 -12.593
  336   2HG   MET  42          1HG       MET  42  -2.285  18.475 -13.916
  337   1HE   MET  42          1HE       MET  42  -3.366  22.206 -13.380
  338   2HE   MET  42          2HE       MET  42  -2.903  21.316 -11.927
  339   3HE   MET  42          3HE       MET  42  -4.567  21.863 -12.133
  340    H    ILE  43           H        ILE  43  -1.388  14.954 -11.416
  341    HA   ILE  43           HA       ILE  43   0.559  15.142 -13.626
  342    HB   ILE  43           HB       ILE  43   1.183  16.327 -11.478
  343   1HG1  ILE  43          2HG1      ILE  43   3.459  14.720 -11.536
  344   2HG1  ILE  43          1HG1      ILE  43   2.748  14.517 -13.133
  345   1HG2  ILE  43          1HG2      ILE  43   1.566  13.514 -10.465
  346   2HG2  ILE  43          2HG2      ILE  43   0.323  14.641  -9.918
  347   3HG2  ILE  43          3HG2      ILE  43   2.025  14.998  -9.634
  348   1HD1  ILE  43          1HD1      ILE  43   4.265  16.694 -12.102
  349   2HD1  ILE  43          2HD1      ILE  43   2.663  17.266 -12.562
  350   3HD1  ILE  43          3HD1      ILE  43   3.671  16.427 -13.741
  351    H    ILE  44           H        ILE  44  -0.640  13.038 -11.031
  352    HA   ILE  44           HA       ILE  44   0.503  10.750 -12.442
  353    HB   ILE  44           HB       ILE  44   0.587  11.471  -9.677
  354   1HG1  ILE  44          2HG1      ILE  44   1.856   9.086  -9.868
  355   2HG1  ILE  44          1HG1      ILE  44   1.795   9.552 -11.560
  356   1HG2  ILE  44          1HG2      ILE  44  -1.394  10.231  -9.228
  357   2HG2  ILE  44          2HG2      ILE  44  -0.027   9.250  -8.706
  358   3HG2  ILE  44          3HG2      ILE  44  -0.846   8.881 -10.223
  359   1HD1  ILE  44          1HD1      ILE  44   2.834  11.710 -10.928
  360   2HD1  ILE  44          2HD1      ILE  44   3.852  10.300 -10.630
  361   3HD1  ILE  44          3HD1      ILE  44   3.019  11.085  -9.290
  362    H    LYS  45           H        LYS  45  -0.928   9.951 -13.711
  363    HA   LYS  45           HA       LYS  45  -3.671  10.162 -13.668
  364   1HB   LYS  45          2HB       LYS  45  -1.760   8.262 -14.930
  365   2HB   LYS  45          1HB       LYS  45  -3.468   7.847 -14.963
  366   1HG   LYS  45          2HG       LYS  45  -3.476   9.032 -16.863
  367   2HG   LYS  45          1HG       LYS  45  -3.569  10.421 -15.780
  368   1HD   LYS  45          2HD       LYS  45  -1.746  11.140 -16.878
  369   2HD   LYS  45          1HD       LYS  45  -0.879   9.976 -15.873
  370   1HE   LYS  45          2HE       LYS  45  -0.902   8.341 -17.593
  371   2HE   LYS  45          1HE       LYS  45  -2.060   9.264 -18.549
  372   1HZ   LYS  45          1HZ       LYS  45  -0.462  10.689 -19.283
  373   2HZ   LYS  45          2HZ       LYS  45   0.491   9.307 -19.089
  374   3HZ   LYS  45          3HZ       LYS  45   0.512  10.519 -17.910
  375    H    HIS  46           H        HIS  46  -1.829   7.278 -12.584
  376    HA   HIS  46           HA       HIS  46  -4.148   6.598 -10.897
  377   1HB   HIS  46          2HB       HIS  46  -2.729   5.031 -12.874
  378   2HB   HIS  46          1HB       HIS  46  -2.708   4.238 -11.305
  379    HD1  HIS  46           1HD      HIS  46  -4.814   4.790 -14.223
  380    HD2  HIS  46           2HD      HIS  46  -5.397   3.815 -10.225
  381    HE1  HIS  46           1HE      HIS  46  -7.151   3.872 -14.088
  382    HE2  HIS  46           2HE      HIS  46  -7.450   3.209 -11.676
  383    HA   PRO  47           HA       PRO  47  -0.738   7.098  -7.876
  384   1HB   PRO  47          2HB       PRO  47  -2.276   8.089  -5.894
  385   2HB   PRO  47          1HB       PRO  47  -1.674   9.098  -7.215
  386   1HG   PRO  47          2HG       PRO  47  -4.385   7.925  -6.803
  387   2HG   PRO  47          1HG       PRO  47  -3.932   9.505  -7.462
  388   1HD   PRO  47          2HD       PRO  47  -4.668   7.327  -8.986
  389   2HD   PRO  47          1HD       PRO  47  -3.690   8.685  -9.573
  390    H    MET  48           H        MET  48  -3.956   5.717  -7.456
  391    HA   MET  48           HA       MET  48  -4.779   3.950  -6.313
  392   1HB   MET  48          2HB       MET  48  -1.930   3.052  -6.713
  393   2HB   MET  48          1HB       MET  48  -3.154   2.019  -5.987
  394   1HG   MET  48          2HG       MET  48  -3.144   3.163  -8.769
  395   2HG   MET  48          1HG       MET  48  -2.972   1.472  -8.304
  396   1HE   MET  48          1HE       MET  48  -6.325   0.394  -9.251
  397   2HE   MET  48          2HE       MET  48  -5.220  -0.170  -7.996
  398   3HE   MET  48          3HE       MET  48  -4.587   0.386  -9.547
  399    H    ASP  49           H        ASP  49  -5.286   5.114  -4.440
  400    HA   ASP  49           HA       ASP  49  -3.395   5.335  -2.266
  401   1HB   ASP  49          2HB       ASP  49  -6.356   5.943  -2.378
  402   2HB   ASP  49          1HB       ASP  49  -5.293   6.329  -1.029
  403    H    PHE  50           H        PHE  50  -4.225   4.686  -0.016
  404    HA   PHE  50           HA       PHE  50  -4.263   1.907   0.184
  405   1HB   PHE  50          2HB       PHE  50  -4.813   4.138   2.092
  406   2HB   PHE  50          1HB       PHE  50  -5.236   2.499   2.573
  407    HD1  PHE  50           1HD      PHE  50  -2.407   4.534   1.287
  408    HD2  PHE  50           2HD      PHE  50  -3.634   1.088   3.459
  409    HE1  PHE  50           1HE      PHE  50  -0.072   4.114   1.935
  410    HE2  PHE  50           2HE      PHE  50  -1.303   0.663   4.112
  411    HZ   PHE  50           HZ       PHE  50   0.482   2.177   3.352
  412    H    SER  51           H        SER  51  -6.960   4.214   0.174
  413    HA   SER  51           HA       SER  51  -8.976   2.354   0.875
  414   1HB   SER  51          2HB       SER  51  -8.934   5.061   0.555
  415   2HB   SER  51          1HB       SER  51  -9.789   4.566  -0.904
  416    HG   SER  51           HG       SER  51 -11.450   4.446   0.375
  417    H    THR  52           H        THR  52  -7.686   3.425  -2.249
  418    HA   THR  52           HA       THR  52  -9.554   2.049  -3.861
  419    HB   THR  52           HB       THR  52  -6.793   2.416  -4.894
  420    HG1  THR  52           1HG      THR  52  -8.429   4.616  -4.164
  421   1HG2  THR  52          1HG2      THR  52  -9.553   2.714  -5.889
  422   2HG2  THR  52          2HG2      THR  52  -8.113   2.073  -6.685
  423   3HG2  THR  52          3HG2      THR  52  -8.342   3.817  -6.547
  424    H    MET  53           H        MET  53  -6.245   1.189  -2.850
  425    HA   MET  53           HA       MET  53  -6.251  -1.353  -4.095
  426   1HB   MET  53          2HB       MET  53  -4.258  -1.825  -2.732
  427   2HB   MET  53          1HB       MET  53  -4.162  -0.258  -3.522
  428   1HG   MET  53          2HG       MET  53  -4.940   0.754  -1.353
  429   2HG   MET  53          1HG       MET  53  -4.712  -0.834  -0.626
  430   1HE   MET  53          1HE       MET  53  -1.531  -1.546   0.014
  431   2HE   MET  53          2HE       MET  53  -1.231  -1.648  -1.721
  432   3HE   MET  53          3HE       MET  53  -2.777  -2.180  -1.062
  433    H    LYS  54           H        LYS  54  -7.046  -0.312  -0.792
  434    HA   LYS  54           HA       LYS  54  -7.327  -2.845   0.365
  435   1HB   LYS  54          2HB       LYS  54  -7.315  -0.637   1.574
  436   2HB   LYS  54          1HB       LYS  54  -8.977  -0.407   1.049
  437   1HG   LYS  54          2HG       LYS  54  -8.588  -2.978   2.331
  438   2HG   LYS  54          1HG       LYS  54  -8.132  -1.631   3.376
  439   1HD   LYS  54          2HD       LYS  54 -10.301  -1.424   3.854
  440   2HD   LYS  54          1HD       LYS  54 -10.503  -0.796   2.216
  441   1HE   LYS  54          2HE       LYS  54 -10.481  -3.526   1.846
  442   2HE   LYS  54          1HE       LYS  54 -11.348  -3.338   3.369
  443   1HZ   LYS  54          1HZ       LYS  54 -13.046  -2.210   2.369
  444   2HZ   LYS  54          2HZ       LYS  54 -12.597  -3.229   1.096
  445   3HZ   LYS  54          3HZ       LYS  54 -12.086  -1.617   1.108
  446    H    GLU  55           H        GLU  55  -9.709  -0.833  -1.347
  447    HA   GLU  55           HA       GLU  55 -11.923  -2.546  -0.971
  448   1HB   GLU  55          2HB       GLU  55 -11.677  -0.072  -1.956
  449   2HB   GLU  55          1HB       GLU  55 -11.715  -0.950  -3.476
  450   1HG   GLU  55          2HG       GLU  55 -13.799  -1.694  -1.542
  451   2HG   GLU  55          1HG       GLU  55 -13.898  -0.052  -2.170
  452    H    LYS  56           H        LYS  56  -9.379  -2.415  -3.395
  453    HA   LYS  56           HA       LYS  56 -10.486  -4.322  -5.174
  454   1HB   LYS  56          2HB       LYS  56  -7.693  -3.282  -4.739
  455   2HB   LYS  56          1HB       LYS  56  -8.054  -4.507  -5.949
  456   1HG   LYS  56          2HG       LYS  56  -9.762  -2.119  -6.043
  457   2HG   LYS  56          1HG       LYS  56  -8.057  -1.848  -6.409
  458   1HD   LYS  56          2HD       LYS  56  -8.122  -3.524  -8.145
  459   2HD   LYS  56          1HD       LYS  56  -9.785  -3.942  -7.723
  460   1HE   LYS  56          2HE       LYS  56 -10.405  -1.568  -8.265
  461   2HE   LYS  56          1HE       LYS  56  -8.774  -1.362  -8.902
  462   1HZ   LYS  56          1HZ       LYS  56 -10.654  -1.989 -10.507
  463   2HZ   LYS  56          2HZ       LYS  56 -10.494  -3.551  -9.876
  464   3HZ   LYS  56          3HZ       LYS  56  -9.179  -2.809 -10.641
  465    H    ILE  57           H        ILE  57  -8.206  -4.590  -2.459
  466    HA   ILE  57           HA       ILE  57  -7.535  -7.290  -2.795
  467    HB   ILE  57           HB       ILE  57  -7.749  -5.844  -0.150
  468   1HG1  ILE  57          2HG1      ILE  57  -5.131  -6.165  -1.511
  469   2HG1  ILE  57          1HG1      ILE  57  -6.225  -4.974  -2.205
  470   1HG2  ILE  57          1HG2      ILE  57  -6.812  -7.631   0.810
  471   2HG2  ILE  57          2HG2      ILE  57  -5.647  -7.829  -0.498
  472   3HG2  ILE  57          3HG2      ILE  57  -7.267  -8.505  -0.652
  473   1HD1  ILE  57          1HD1      ILE  57  -4.515  -4.700   0.012
  474   2HD1  ILE  57          2HD1      ILE  57  -6.170  -4.627   0.617
  475   3HD1  ILE  57          3HD1      ILE  57  -5.642  -3.520  -0.649
  476    H    LYS  58           H        LYS  58 -10.254  -5.776  -1.106
  477    HA   LYS  58           HA       LYS  58 -11.273  -8.050   0.165
  478   1HB   LYS  58          2HB       LYS  58 -11.975  -5.634   0.489
  479   2HB   LYS  58          1HB       LYS  58 -12.954  -5.812  -0.960
  480   1HG   LYS  58          2HG       LYS  58 -14.462  -7.201   0.059
  481   2HG   LYS  58          1HG       LYS  58 -13.295  -7.778   1.248
  482   1HD   LYS  58          2HD       LYS  58 -13.692  -6.060   2.669
  483   2HD   LYS  58          1HD       LYS  58 -13.944  -4.901   1.364
  484   1HE   LYS  58          2HE       LYS  58 -16.038  -6.865   1.349
  485   2HE   LYS  58          1HE       LYS  58 -15.890  -6.161   2.957
  486   1HZ   LYS  58          1HZ       LYS  58 -15.787  -3.960   1.511
  487   2HZ   LYS  58          2HZ       LYS  58 -17.252  -4.633   2.022
  488   3HZ   LYS  58          3HZ       LYS  58 -16.698  -4.911   0.448
  489    H    ASN  59           H        ASN  59 -11.262  -7.225  -3.195
  490    HA   ASN  59           HA       ASN  59 -13.331  -9.224  -3.779
  491   1HB   ASN  59          2HB       ASN  59 -12.237  -6.861  -5.234
  492   2HB   ASN  59          1HB       ASN  59 -12.845  -8.207  -6.187
  493   1HD2  ASN  59          1HD2      ASN  59 -13.674  -5.717  -3.891
  494   2HD2  ASN  59          2HD2      ASN  59 -15.383  -5.790  -4.134
  495    H    ASN  60           H        ASN  60 -10.386  -9.654  -3.009
  496    HA   ASN  60           HA       ASN  60  -8.711 -11.095  -3.509
  497   1HB   ASN  60          2HB       ASN  60 -11.058 -12.325  -4.469
  498   2HB   ASN  60          1HB       ASN  60  -9.857 -12.525  -5.741
  499   1HD2  ASN  60          1HD2      ASN  60  -9.991 -12.672  -2.191
  500   2HD2  ASN  60          2HD2      ASN  60  -9.087 -14.137  -2.052
  501    H    ASP  61           H        ASP  61  -9.141  -8.539  -5.040
  502    HA   ASP  61           HA       ASP  61  -8.068  -9.007  -7.658
  503   1HB   ASP  61          2HB       ASP  61  -9.489  -6.983  -6.637
  504   2HB   ASP  61          1HB       ASP  61  -7.875  -6.322  -6.390
  505    H    TYR  62           H        TYR  62  -6.808  -7.887  -4.551
  506    HA   TYR  62           HA       TYR  62  -4.082  -8.087  -5.639
  507   1HB   TYR  62          2HB       TYR  62  -5.185  -6.382  -3.404
  508   2HB   TYR  62          1HB       TYR  62  -3.460  -6.593  -3.687
  509    HD1  TYR  62           1HD      TYR  62  -2.792  -6.186  -6.272
  510    HD2  TYR  62           2HD      TYR  62  -6.144  -4.486  -4.282
  511    HE1  TYR  62           1HE      TYR  62  -2.848  -4.377  -7.930
  512    HE2  TYR  62           2HE      TYR  62  -6.209  -2.669  -5.937
  513    HH   TYR  62           HH       TYR  62  -4.570  -2.777  -8.847
  514    H    GLN  63           H        GLN  63  -3.525 -10.146  -5.222
  515    HA   GLN  63           HA       GLN  63  -3.265 -10.913  -2.427
  516   1HB   GLN  63          2HB       GLN  63  -4.238 -13.068  -2.719
  517   2HB   GLN  63          1HB       GLN  63  -5.388 -11.906  -3.364
  518   1HG   GLN  63          2HG       GLN  63  -4.847 -12.470  -5.596
  519   2HG   GLN  63          1HG       GLN  63  -3.440 -13.403  -5.089
  520   1HE2  GLN  63          1HE2      GLN  63  -5.988 -14.047  -6.599
  521   2HE2  GLN  63          2HE2      GLN  63  -6.600 -15.454  -5.804
  522    H    SER  64           H        SER  64  -1.623 -10.072  -4.856
  523    HA   SER  64           HA       SER  64   0.311 -12.278  -4.742
  524   1HB   SER  64          2HB       SER  64   0.669 -10.649  -7.098
  525   2HB   SER  64          1HB       SER  64   0.380 -12.383  -6.984
  526    HG   SER  64           HG       SER  64  -1.522 -10.294  -7.172
  527    H    ILE  65           H        ILE  65   2.349 -11.719  -4.263
  528    HA   ILE  65           HA       ILE  65   2.934  -9.402  -2.897
  529    HB   ILE  65           HB       ILE  65   5.247 -10.015  -2.966
  530   1HG1  ILE  65          2HG1      ILE  65   5.347 -10.527  -5.425
  531   2HG1  ILE  65          1HG1      ILE  65   6.208 -11.669  -4.403
  532   1HG2  ILE  65          1HG2      ILE  65   4.495 -11.440  -1.425
  533   2HG2  ILE  65          2HG2      ILE  65   4.817 -12.668  -2.648
  534   3HG2  ILE  65          3HG2      ILE  65   3.189 -12.020  -2.459
  535   1HD1  ILE  65          1HD1      ILE  65   3.607 -12.052  -5.840
  536   2HD1  ILE  65          2HD1      ILE  65   4.128 -13.120  -4.535
  537   3HD1  ILE  65          3HD1      ILE  65   5.104 -12.970  -5.996
  538    H    GLU  66           H        GLU  66   3.435 -10.109  -6.336
  539    HA   GLU  66           HA       GLU  66   4.843  -7.700  -6.916
  540   1HB   GLU  66          2HB       GLU  66   3.770  -9.979  -8.412
  541   2HB   GLU  66          1HB       GLU  66   3.658  -8.458  -9.290
  542   1HG   GLU  66          2HG       GLU  66   5.724  -9.070  -9.954
  543   2HG   GLU  66          1HG       GLU  66   6.169  -8.241  -8.464
  544    H    GLU  67           H        GLU  67   1.457  -8.684  -7.129
  545    HA   GLU  67           HA       GLU  67   0.484  -6.348  -8.378
  546   1HB   GLU  67          2HB       GLU  67  -0.570  -8.739  -7.925
  547   2HB   GLU  67          1HB       GLU  67  -1.242  -7.922  -6.523
  548   1HG   GLU  67          2HG       GLU  67  -2.906  -7.649  -8.068
  549   2HG   GLU  67          1HG       GLU  67  -2.005  -6.145  -8.250
  550    H    LEU  68           H        LEU  68   0.575  -7.314  -4.945
  551    HA   LEU  68           HA       LEU  68  -0.653  -4.941  -3.990
  552   1HB   LEU  68          2HB       LEU  68   0.123  -5.655  -1.764
  553   2HB   LEU  68          1HB       LEU  68  -0.703  -6.927  -2.639
  554    HG   LEU  68           HG       LEU  68   1.804  -7.568  -3.302
  555   1HD1  LEU  68          1HD1      LEU  68   3.432  -6.827  -1.964
  556   2HD1  LEU  68          2HD1      LEU  68   2.424  -6.909  -0.522
  557   3HD1  LEU  68          3HD1      LEU  68   2.320  -5.510  -1.592
  558   1HD2  LEU  68          1HD2      LEU  68   1.771  -9.094  -1.300
  559   2HD2  LEU  68          2HD2      LEU  68   0.331  -9.138  -2.317
  560   3HD2  LEU  68          3HD2      LEU  68   0.306  -8.258  -0.790
  561    H    LYS  69           H        LYS  69   2.757  -5.934  -4.248
  562    HA   LYS  69           HA       LYS  69   3.826  -3.627  -3.028
  563   1HB   LYS  69          2HB       LYS  69   4.947  -5.913  -3.676
  564   2HB   LYS  69          1HB       LYS  69   5.330  -5.074  -5.174
  565   1HG   LYS  69          2HG       LYS  69   6.943  -3.866  -4.216
  566   2HG   LYS  69          1HG       LYS  69   5.971  -3.529  -2.784
  567   1HD   LYS  69          2HD       LYS  69   7.479  -4.855  -1.759
  568   2HD   LYS  69          1HD       LYS  69   6.492  -6.159  -2.419
  569   1HE   LYS  69          2HE       LYS  69   7.962  -6.391  -4.305
  570   2HE   LYS  69          1HE       LYS  69   8.879  -4.967  -3.819
  571   1HZ   LYS  69          1HZ       LYS  69  10.200  -6.592  -2.974
  572   2HZ   LYS  69          2HZ       LYS  69   8.926  -7.674  -2.713
  573   3HZ   LYS  69          3HZ       LYS  69   9.177  -6.390  -1.640
  574    H    ASP  70           H        ASP  70   2.998  -4.359  -6.393
  575    HA   ASP  70           HA       ASP  70   4.180  -2.094  -7.566
  576   1HB   ASP  70          2HB       ASP  70   2.199  -4.123  -8.368
  577   2HB   ASP  70          1HB       ASP  70   2.030  -2.576  -9.187
  578    H    ASN  71           H        ASN  71   0.884  -2.609  -6.327
  579    HA   ASN  71           HA       ASN  71  -0.063  -0.032  -7.036
  580   1HB   ASN  71          2HB       ASN  71  -1.160  -2.384  -5.953
  581   2HB   ASN  71          1HB       ASN  71  -1.477  -1.122  -4.768
  582   1HD2  ASN  71          1HD2      ASN  71  -1.418  -1.305  -8.320
  583   2HD2  ASN  71          2HD2      ASN  71  -2.974  -0.595  -8.546
  584    H    PHE  72           H        PHE  72   1.056  -1.364  -3.918
  585    HA   PHE  72           HA       PHE  72   0.710   1.019  -2.446
  586   1HB   PHE  72          2HB       PHE  72   0.960  -1.160  -1.353
  587   2HB   PHE  72          1HB       PHE  72   2.610  -1.289  -1.952
  588    HD1  PHE  72           2HD      PHE  72   0.749   1.505  -0.311
  589    HD2  PHE  72           1HD      PHE  72   4.053  -1.178  -0.164
  590    HE1  PHE  72           2HE      PHE  72   1.579   2.636   1.707
  591    HE2  PHE  72           1HE      PHE  72   4.884  -0.050   1.857
  592    HZ   PHE  72           HZ       PHE  72   3.646   1.860   2.795
  593    H    LYS  73           H        LYS  73   3.557  -0.348  -4.077
  594    HA   LYS  73           HA       LYS  73   5.361   1.691  -3.372
  595   1HB   LYS  73          2HB       LYS  73   6.011  -0.535  -4.267
  596   2HB   LYS  73          1HB       LYS  73   5.408  -0.047  -5.844
  597   1HG   LYS  73          2HG       LYS  73   7.137   1.975  -5.297
  598   2HG   LYS  73          1HG       LYS  73   7.922   0.615  -4.490
  599   1HD   LYS  73          2HD       LYS  73   7.453  -0.641  -6.718
  600   2HD   LYS  73          1HD       LYS  73   7.270   0.980  -7.392
  601   1HE   LYS  73          2HE       LYS  73   9.691   0.043  -5.857
  602   2HE   LYS  73          1HE       LYS  73   9.562   0.011  -7.615
  603   1HZ   LYS  73          1HZ       LYS  73   9.491   2.412  -5.868
  604   2HZ   LYS  73          2HZ       LYS  73   9.178   2.442  -7.528
  605   3HZ   LYS  73          3HZ       LYS  73  10.706   1.987  -6.967
  606    H    LEU  74           H        LEU  74   3.058   1.398  -6.038
  607    HA   LEU  74           HA       LEU  74   4.015   3.526  -7.604
  608   1HB   LEU  74          2HB       LEU  74   1.595   1.891  -7.483
  609   2HB   LEU  74          1HB       LEU  74   1.293   3.528  -8.040
  610    HG   LEU  74           HG       LEU  74   3.520   1.969  -9.282
  611   1HD1  LEU  74          1HD1      LEU  74   1.461   0.518  -9.213
  612   2HD1  LEU  74          2HD1      LEU  74   2.096   0.878 -10.818
  613   3HD1  LEU  74          3HD1      LEU  74   0.673   1.733 -10.221
  614   1HD2  LEU  74          1HD2      LEU  74   3.513   4.101 -10.128
  615   2HD2  LEU  74          2HD2      LEU  74   1.762   4.270  -9.981
  616   3HD2  LEU  74          3HD2      LEU  74   2.449   3.291 -11.278
  617    H    MET  75           H        MET  75   1.550   3.486  -5.015
  618    HA   MET  75           HA       MET  75   0.899   6.233  -5.256
  619   1HB   MET  75          2HB       MET  75  -0.315   4.286  -3.961
  620   2HB   MET  75          1HB       MET  75   0.668   4.854  -2.620
  621   1HG   MET  75          2HG       MET  75  -0.948   6.807  -4.202
  622   2HG   MET  75          1HG       MET  75  -1.725   5.804  -2.976
  623   1HE   MET  75          1HE       MET  75  -0.643   5.523  -0.593
  624   2HE   MET  75          2HE       MET  75   0.212   6.811   0.256
  625   3HE   MET  75          3HE       MET  75   1.081   5.771  -0.874
  626    H    CYS  76           H        CYS  76   3.186   4.521  -3.130
  627    HA   CYS  76           HA       CYS  76   3.982   6.776  -1.659
  628   1HB   CYS  76          2HB       CYS  76   5.714   5.447  -0.800
  629   2HB   CYS  76          1HB       CYS  76   4.430   4.306  -1.155
  630    HG   CYS  76           HG       CYS  76   6.988   4.589  -2.909
  631    H    THR  77           H        THR  77   5.265   5.360  -4.661
  632    HA   THR  77           HA       THR  77   7.404   7.239  -4.878
  633    HB   THR  77           HB       THR  77   7.369   4.951  -5.940
  634    HG1  THR  77           1HG      THR  77   8.639   5.638  -7.587
  635   1HG2  THR  77          1HG2      THR  77   6.433   4.720  -8.168
  636   2HG2  THR  77          2HG2      THR  77   5.668   6.301  -8.022
  637   3HG2  THR  77          3HG2      THR  77   5.165   4.979  -6.972
  638    H    ASN  78           H        ASN  78   4.126   7.072  -6.214
  639    HA   ASN  78           HA       ASN  78   4.398   9.296  -7.955
  640   1HB   ASN  78          2HB       ASN  78   1.972   7.952  -6.750
  641   2HB   ASN  78          1HB       ASN  78   1.876   9.245  -7.933
  642   1HD2  ASN  78          1HD2      ASN  78   0.627   7.421  -8.985
  643   2HD2  ASN  78          2HD2      ASN  78   1.513   6.363 -10.013
  644    H    ALA  79           H        ALA  79   3.170   8.912  -4.654
  645    HA   ALA  79           HA       ALA  79   2.315  11.597  -4.325
  646   1HB   ALA  79          1HB       ALA  79   2.976   9.449  -2.321
  647   2HB   ALA  79          2HB       ALA  79   1.381   9.915  -2.916
  648   3HB   ALA  79          3HB       ALA  79   2.301  11.019  -1.893
  649    H    MET  80           H        MET  80   5.324   9.896  -3.468
  650    HA   MET  80           HA       MET  80   6.498  12.073  -2.096
  651   1HB   MET  80          2HB       MET  80   8.543  10.838  -2.143
  652   2HB   MET  80          1HB       MET  80   7.236   9.686  -1.915
  653   1HG   MET  80          2HG       MET  80   7.359   9.039  -4.242
  654   2HG   MET  80          1HG       MET  80   8.599  10.253  -4.539
  655   1HE   MET  80          1HE       MET  80  11.681   8.325  -4.231
  656   2HE   MET  80          2HE       MET  80  10.928   9.904  -4.450
  657   3HE   MET  80          3HE       MET  80  10.485   8.563  -5.506
  658    H    ILE  81           H        ILE  81   6.631  11.066  -5.508
  659    HA   ILE  81           HA       ILE  81   8.602  12.929  -6.285
  660    HB   ILE  81           HB       ILE  81   7.995  11.009  -7.695
  661   1HG1  ILE  81          2HG1      ILE  81   7.784  12.369  -9.888
  662   2HG1  ILE  81          1HG1      ILE  81   7.839  13.785  -8.845
  663   1HG2  ILE  81          1HG2      ILE  81   5.677  10.802  -7.550
  664   2HG2  ILE  81          2HG2      ILE  81   5.959  11.335  -9.205
  665   3HG2  ILE  81          3HG2      ILE  81   5.403  12.485  -7.991
  666   1HD1  ILE  81          1HD1      ILE  81   9.951  11.645  -8.955
  667   2HD1  ILE  81          2HD1      ILE  81  10.012  13.144  -8.026
  668   3HD1  ILE  81          3HD1      ILE  81  10.027  13.196  -9.790
  669    H    TYR  82           H        TYR  82   5.063  13.174  -6.062
  670    HA   TYR  82           HA       TYR  82   5.282  15.987  -6.890
  671   1HB   TYR  82          2HB       TYR  82   3.544  14.228  -7.868
  672   2HB   TYR  82          1HB       TYR  82   2.614  14.722  -6.455
  673    HD1  TYR  82           2HD      TYR  82   4.828  16.694  -8.733
  674    HD2  TYR  82           1HD      TYR  82   0.895  16.088  -7.224
  675    HE1  TYR  82           2HE      TYR  82   4.063  18.690  -9.944
  676    HE2  TYR  82           1HE      TYR  82   0.120  18.083  -8.434
  677    HH   TYR  82           HH       TYR  82   1.663  19.472 -10.886
  678    H    ASN  83           H        ASN  83   6.246  15.316  -4.360
  679    HA   ASN  83           HA       ASN  83   4.824  17.173  -2.759
  680   1HB   ASN  83          2HB       ASN  83   3.571  14.834  -2.591
  681   2HB   ASN  83          1HB       ASN  83   4.852  14.499  -1.429
  682   1HD2  ASN  83          1HD2      ASN  83   1.813  15.763  -1.825
  683   2HD2  ASN  83          2HD2      ASN  83   1.702  16.673  -0.361
  684    H    LYS  84           H        LYS  84   6.898  18.085  -2.744
  685    HA   LYS  84           HA       LYS  84   9.236  16.767  -1.868
  686   1HB   LYS  84          2HB       LYS  84   8.399  19.558  -2.389
  687   2HB   LYS  84          1HB       LYS  84   9.730  19.374  -1.255
  688   1HG   LYS  84          2HG       LYS  84  11.148  18.516  -2.846
  689   2HG   LYS  84          1HG       LYS  84   9.829  17.925  -3.859
  690   1HD   LYS  84          2HD       LYS  84   9.609  19.892  -4.940
  691   2HD   LYS  84          1HD       LYS  84   9.898  20.839  -3.480
  692   1HE   LYS  84          2HE       LYS  84  12.354  19.866  -3.819
  693   2HE   LYS  84          1HE       LYS  84  11.816  19.813  -5.497
  694   1HZ   LYS  84          1HZ       LYS  84  11.767  22.054  -5.648
  695   2HZ   LYS  84          2HZ       LYS  84  12.923  21.952  -4.417
  696   3HZ   LYS  84          3HZ       LYS  84  11.310  22.286  -4.035
  697    HA   PRO  85           HA       PRO  85   9.041  16.725   2.540
  698   1HB   PRO  85          2HB       PRO  85  11.326  17.990   3.365
  699   2HB   PRO  85          1HB       PRO  85  11.285  16.340   2.740
  700   1HG   PRO  85          2HG       PRO  85  11.995  18.881   1.331
  701   2HG   PRO  85          1HG       PRO  85  12.784  17.295   1.243
  702   1HD   PRO  85          2HD       PRO  85  11.115  18.154  -0.680
  703   2HD   PRO  85          1HD       PRO  85  11.188  16.445  -0.206
  704    H    GLU  86           H        GLU  86   7.208  18.306   2.216
  705    HA   GLU  86           HA       GLU  86   7.657  21.070   2.831
  706   1HB   GLU  86          2HB       GLU  86   5.543  19.523   1.792
  707   2HB   GLU  86          1HB       GLU  86   4.935  20.221   3.285
  708   1HG   GLU  86          2HG       GLU  86   5.949  22.426   2.305
  709   2HG   GLU  86          1HG       GLU  86   5.800  21.562   0.776
  710    H    THR  87           H        THR  87   5.916  18.478   4.567
  711    HA   THR  87           HA       THR  87   6.939  19.496   7.099
  712    HB   THR  87           HB       THR  87   4.644  19.468   8.104
  713    HG1  THR  87           1HG      THR  87   3.883  19.180   5.386
  714   1HG2  THR  87          1HG2      THR  87   5.655  21.598   7.395
  715   2HG2  THR  87          2HG2      THR  87   3.894  21.590   7.284
  716   3HG2  THR  87          3HG2      THR  87   4.871  21.416   5.826
  717    H    ILE  88           H        ILE  88   4.164  17.364   6.570
  718    HA   ILE  88           HA       ILE  88   5.784  15.128   7.600
  719    HB   ILE  88           HB       ILE  88   2.806  15.342   7.980
  720   1HG1  ILE  88          2HG1      ILE  88   3.747  17.313   9.052
  721   2HG1  ILE  88          1HG1      ILE  88   3.279  16.146  10.284
  722   1HG2  ILE  88          1HG2      ILE  88   4.979  13.736   9.313
  723   2HG2  ILE  88          2HG2      ILE  88   3.690  13.134   8.271
  724   3HG2  ILE  88          3HG2      ILE  88   3.305  13.788   9.863
  725   1HD1  ILE  88          1HD1      ILE  88   5.880  15.478   9.862
  726   2HD1  ILE  88          2HD1      ILE  88   5.302  16.557  11.131
  727   3HD1  ILE  88          3HD1      ILE  88   5.909  17.223   9.614
  728    H    TYR  89           H        TYR  89   4.003  16.222   4.924
  729    HA   TYR  89           HA       TYR  89   2.752  13.875   4.043
  730   1HB   TYR  89          2HB       TYR  89   3.729  16.353   2.676
  731   2HB   TYR  89          1HB       TYR  89   3.201  14.985   1.699
  732    HD1  TYR  89           1HD      TYR  89   1.990  16.928   4.674
  733    HD2  TYR  89           2HD      TYR  89   1.011  15.007   1.005
  734    HE1  TYR  89           1HE      TYR  89  -0.345  17.653   4.924
  735    HE2  TYR  89           2HE      TYR  89  -1.326  15.729   1.246
  736    HH   TYR  89           HH       TYR  89  -2.324  18.103   3.218
  737    H    TYR  90           H        TYR  90   6.015  15.123   3.348
  738    HA   TYR  90           HA       TYR  90   6.779  13.011   1.630
  739   1HB   TYR  90          2HB       TYR  90   7.936  15.223   1.789
  740   2HB   TYR  90          1HB       TYR  90   8.594  14.722   3.344
  741    HD1  TYR  90           2HD      TYR  90   8.512  13.792  -0.258
  742    HD2  TYR  90           1HD      TYR  90  10.603  13.517   3.439
  743    HE1  TYR  90           2HE      TYR  90  10.411  12.746  -1.417
  744    HE2  TYR  90           1HE      TYR  90  12.508  12.471   2.288
  745    HH   TYR  90           HH       TYR  90  12.623  11.010  -0.128
  746    H    LYS  91           H        LYS  91   7.370  13.555   5.103
  747    HA   LYS  91           HA       LYS  91   8.793  11.145   5.519
  748   1HB   LYS  91          2HB       LYS  91   7.916  13.365   7.109
  749   2HB   LYS  91          1HB       LYS  91   7.506  11.868   7.936
  750   1HG   LYS  91          2HG       LYS  91   9.683  12.662   8.632
  751   2HG   LYS  91          1HG       LYS  91   9.831  11.135   7.761
  752   1HD   LYS  91          2HD       LYS  91  10.367  12.458   5.704
  753   2HD   LYS  91          1HD       LYS  91  10.412  13.903   6.716
  754   1HE   LYS  91          2HE       LYS  91  12.606  13.399   6.862
  755   2HE   LYS  91          1HE       LYS  91  12.049  12.303   8.124
  756   1HZ   LYS  91          1HZ       LYS  91  13.564  11.511   6.119
  757   2HZ   LYS  91          2HZ       LYS  91  12.054  11.272   5.394
  758   3HZ   LYS  91          3HZ       LYS  91  12.427  10.492   6.847
  759    H    ALA  92           H        ALA  92   5.367  11.944   5.621
  760    HA   ALA  92           HA       ALA  92   4.440   9.627   6.918
  761   1HB   ALA  92          1HB       ALA  92   2.972  11.500   6.678
  762   2HB   ALA  92          2HB       ALA  92   2.264  10.146   5.800
  763   3HB   ALA  92          3HB       ALA  92   3.087  11.433   4.919
  764    H    ALA  93           H        ALA  93   4.969  10.337   3.480
  765    HA   ALA  93           HA       ALA  93   3.999   7.845   2.521
  766   1HB   ALA  93          1HB       ALA  93   4.135   9.841   1.106
  767   2HB   ALA  93          2HB       ALA  93   5.005   8.482   0.396
  768   3HB   ALA  93          3HB       ALA  93   5.894   9.781   1.192
  769    H    LYS  94           H        LYS  94   7.274   9.059   3.217
  770    HA   LYS  94           HA       LYS  94   8.633   6.716   2.391
  771   1HB   LYS  94          2HB       LYS  94   9.383   9.246   3.225
  772   2HB   LYS  94          1HB       LYS  94   9.965   8.211   4.521
  773   1HG   LYS  94          2HG       LYS  94  11.008   6.791   2.660
  774   2HG   LYS  94          1HG       LYS  94  10.712   8.186   1.621
  775   1HD   LYS  94          2HD       LYS  94  11.887   9.323   3.826
  776   2HD   LYS  94          1HD       LYS  94  12.733   7.781   3.693
  777   1HE   LYS  94          2HE       LYS  94  12.720   8.584   1.104
  778   2HE   LYS  94          1HE       LYS  94  12.797  10.138   1.933
  779   1HZ   LYS  94          1HZ       LYS  94  15.000   9.625   1.772
  780   2HZ   LYS  94          2HZ       LYS  94  14.754   7.956   1.891
  781   3HZ   LYS  94          3HZ       LYS  94  14.666   8.923   3.275
  782    H    LYS  95           H        LYS  95   7.501   7.816   5.576
  783    HA   LYS  95           HA       LYS  95   8.550   5.703   7.099
  784   1HB   LYS  95          2HB       LYS  95   7.539   7.887   7.930
  785   2HB   LYS  95          1HB       LYS  95   5.965   7.143   7.694
  786   1HG   LYS  95          2HG       LYS  95   6.135   5.898   9.547
  787   2HG   LYS  95          1HG       LYS  95   7.842   5.539   9.277
  788   1HD   LYS  95          2HD       LYS  95   8.536   7.542  10.282
  789   2HD   LYS  95          1HD       LYS  95   6.929   8.261  10.160
  790   1HE   LYS  95          2HE       LYS  95   6.307   6.186  11.696
  791   2HE   LYS  95          1HE       LYS  95   8.008   6.325  12.139
  792   1HZ   LYS  95          1HZ       LYS  95   5.863   8.340  12.463
  793   2HZ   LYS  95          2HZ       LYS  95   7.501   8.754  12.553
  794   3HZ   LYS  95          3HZ       LYS  95   6.846   7.654  13.658
  795    H    LEU  96           H        LEU  96   5.411   6.068   5.480
  796    HA   LEU  96           HA       LEU  96   4.273   3.651   6.373
  797   1HB   LEU  96          2HB       LEU  96   3.459   5.792   4.820
  798   2HB   LEU  96          1HB       LEU  96   3.460   4.456   3.687
  799    HG   LEU  96           HG       LEU  96   1.881   3.230   5.024
  800   1HD1  LEU  96          1HD1      LEU  96   0.916   4.667   7.041
  801   2HD1  LEU  96          2HD1      LEU  96   2.577   5.254   7.072
  802   3HD1  LEU  96          3HD1      LEU  96   2.250   3.532   7.246
  803   1HD2  LEU  96          1HD2      LEU  96   1.297   5.467   3.627
  804   2HD2  LEU  96          2HD2      LEU  96   0.597   5.871   5.195
  805   3HD2  LEU  96          3HD2      LEU  96   0.088   4.410   4.353
  806    H    LEU  97           H        LEU  97   6.378   4.422   3.657
  807    HA   LEU  97           HA       LEU  97   6.140   2.024   2.218
  808   1HB   LEU  97          2HB       LEU  97   7.478   4.357   1.844
  809   2HB   LEU  97          1HB       LEU  97   8.805   3.298   2.277
  810    HG   LEU  97           HG       LEU  97   6.863   2.783   0.020
  811   1HD1  LEU  97          1HD1      LEU  97   8.728   3.375  -1.450
  812   2HD1  LEU  97          2HD1      LEU  97   9.697   3.815  -0.045
  813   3HD1  LEU  97          3HD1      LEU  97   8.245   4.735  -0.437
  814   1HD2  LEU  97          1HD2      LEU  97   7.631   0.686   0.458
  815   2HD2  LEU  97          2HD2      LEU  97   9.118   1.264   1.209
  816   3HD2  LEU  97          3HD2      LEU  97   8.964   1.256  -0.547
  817    H    HIS  98           H        HIS  98   8.384   2.968   4.811
  818    HA   HIS  98           HA       HIS  98   9.873   0.568   4.810
  819   1HB   HIS  98          2HB       HIS  98   9.785   2.999   6.360
  820   2HB   HIS  98          1HB       HIS  98   9.941   1.608   7.427
  821    HD1  HIS  98           1HD      HIS  98  12.254   0.764   7.744
  822    HD2  HIS  98           2HD      HIS  98  11.874   2.983   4.252
  823    HE1  HIS  98           1HE      HIS  98  14.578   0.937   6.802
  824    HE2  HIS  98           2HE      HIS  98  14.307   2.195   4.636
  825    H    SER  99           H        SER  99   7.059   1.611   6.722
  826    HA   SER  99           HA       SER  99   6.933  -0.683   8.367
  827   1HB   SER  99          2HB       SER  99   4.351   0.091   8.347
  828   2HB   SER  99          1HB       SER  99   5.590   0.925   9.284
  829    HG   SER  99           HG       SER  99   5.426   2.597   8.003
  830    H    GLY 100           H        GLY 100   5.340   0.133   5.296
  831   1HA   GLY 100          2HA       GLY 100   3.755  -2.174   5.070
  832   2HA   GLY 100          1HA       GLY 100   4.307  -1.182   3.727
  833    H    MET 101           H        MET 101   7.075  -1.537   3.983
  834    HA   MET 101           HA       MET 101   7.483  -3.911   2.561
  835   1HB   MET 101          2HB       MET 101   9.248  -1.894   3.862
  836   2HB   MET 101          1HB       MET 101   9.969  -3.435   3.421
  837   1HG   MET 101          2HG       MET 101   8.852  -2.968   1.110
  838   2HG   MET 101          1HG       MET 101   8.847  -1.300   1.677
  839   1HE   MET 101          1HE       MET 101   9.944  -2.199  -0.810
  840   2HE   MET 101          2HE       MET 101  11.695  -2.308  -0.993
  841   3HE   MET 101          3HE       MET 101  10.935  -0.748  -0.670
  842    H    LYS 102           H        LYS 102   7.993  -3.174   6.004
  843    HA   LYS 102           HA       LYS 102   9.172  -5.601   6.739
  844   1HB   LYS 102          2HB       LYS 102   8.500  -3.254   8.008
  845   2HB   LYS 102          1HB       LYS 102   7.409  -4.413   8.757
  846   1HG   LYS 102          2HG       LYS 102  10.100  -5.447   8.561
  847   2HG   LYS 102          1HG       LYS 102  10.036  -3.917   9.437
  848   1HD   LYS 102          2HD       LYS 102   7.877  -5.714  10.183
  849   2HD   LYS 102          1HD       LYS 102   9.468  -6.427  10.464
  850   1HE   LYS 102          2HE       LYS 102   9.898  -5.058  12.183
  851   2HE   LYS 102          1HE       LYS 102   9.296  -3.645  11.319
  852   1HZ   LYS 102          1HZ       LYS 102   7.743  -3.775  12.945
  853   2HZ   LYS 102          2HZ       LYS 102   7.892  -5.449  13.135
  854   3HZ   LYS 102          3HZ       LYS 102   7.003  -4.821  11.840
  855    H    ILE 103           H        ILE 103   5.768  -4.587   6.785
  856    HA   ILE 103           HA       ILE 103   4.770  -7.060   7.770
  857    HB   ILE 103           HB       ILE 103   3.230  -5.011   6.176
  858   1HG1  ILE 103          2HG1      ILE 103   3.435  -5.148   9.186
  859   2HG1  ILE 103          1HG1      ILE 103   4.488  -4.120   8.219
  860   1HG2  ILE 103          1HG2      ILE 103   2.450  -7.268   7.995
  861   2HG2  ILE 103          2HG2      ILE 103   1.919  -6.941   6.346
  862   3HG2  ILE 103          3HG2      ILE 103   1.361  -5.921   7.671
  863   1HD1  ILE 103          1HD1      ILE 103   2.832  -2.650   7.731
  864   2HD1  ILE 103          2HD1      ILE 103   2.246  -3.233   9.289
  865   3HD1  ILE 103          3HD1      ILE 103   1.566  -3.878   7.795
  866    H    LEU 104           H        LEU 104   5.361  -5.783   4.542
  867    HA   LEU 104           HA       LEU 104   3.921  -7.582   3.000
  868   1HB   LEU 104          2HB       LEU 104   5.679  -5.546   2.490
  869   2HB   LEU 104          1HB       LEU 104   6.578  -6.944   1.935
  870    HG   LEU 104           HG       LEU 104   3.768  -6.737   1.015
  871   1HD1  LEU 104          1HD1      LEU 104   3.966  -4.927  -0.313
  872   2HD1  LEU 104          2HD1      LEU 104   5.687  -5.181  -0.590
  873   3HD1  LEU 104          3HD1      LEU 104   5.139  -4.427   0.904
  874   1HD2  LEU 104          1HD2      LEU 104   5.228  -7.294  -1.151
  875   2HD2  LEU 104          2HD2      LEU 104   4.738  -8.526   0.013
  876   3HD2  LEU 104          3HD2      LEU 104   6.358  -7.835   0.090
  877    H    SER 105           H        SER 105   6.995  -8.026   4.651
  878    HA   SER 105           HA       SER 105   7.907 -10.330   3.361
  879   1HB   SER 105          2HB       SER 105   8.348  -9.109   6.047
  880   2HB   SER 105          1HB       SER 105   8.853 -10.783   5.816
  881    HG   SER 105           HG       SER 105  10.519  -9.307   5.297
  882    H    GLN 106           H        GLN 106   5.620  -9.953   6.036
  883    HA   GLN 106           HA       GLN 106   5.331 -12.715   6.596
  884   1HB   GLN 106          2HB       GLN 106   4.502 -10.419   7.808
  885   2HB   GLN 106          1HB       GLN 106   2.993 -10.999   7.113
  886   1HG   GLN 106          2HG       GLN 106   3.315 -13.152   8.242
  887   2HG   GLN 106          1HG       GLN 106   4.806 -12.542   8.958
  888   1HE2  GLN 106          1HE2      GLN 106   4.266 -10.130   9.864
  889   2HE2  GLN 106          2HE2      GLN 106   2.972 -10.144  11.009
  890    H    GLU 107           H        GLU 107   3.842 -10.580   4.253
  891    HA   GLU 107           HA       GLU 107   1.547 -11.971   3.584
  892   1HB   GLU 107          2HB       GLU 107   2.501  -9.727   2.671
  893   2HB   GLU 107          1HB       GLU 107   3.273 -10.737   1.457
  894   1HG   GLU 107          2HG       GLU 107   0.311 -10.662   1.990
  895   2HG   GLU 107          1HG       GLU 107   1.133  -9.762   0.717
  896    H    ARG 108           H        ARG 108   4.781 -12.351   2.102
  897    HA   ARG 108           HA       ARG 108   3.902 -14.819   0.818
  898   1HB   ARG 108          2HB       ARG 108   5.279 -13.011  -0.352
  899   2HB   ARG 108          1HB       ARG 108   6.637 -13.559   0.620
  900   1HG   ARG 108          2HG       ARG 108   6.803 -14.609  -1.500
  901   2HG   ARG 108          1HG       ARG 108   6.305 -15.841  -0.340
  902   1HD   ARG 108          2HD       ARG 108   3.897 -14.941  -1.187
  903   2HD   ARG 108          1HD       ARG 108   4.861 -14.705  -2.643
  904    HE   ARG 108           HE       ARG 108   5.483 -17.227  -1.914
  905   1HH1  ARG 108          1HH1      ARG 108   2.422 -15.592  -2.400
  906   2HH1  ARG 108          2HH1      ARG 108   1.592 -17.030  -2.888
  907   1HH2  ARG 108          1HH2      ARG 108   4.383 -19.117  -2.561
  908   2HH2  ARG 108          2HH2      ARG 108   2.705 -19.031  -2.978
  909    H    LEU 109           H        LEU 109   3.731 -15.507   3.273
  910    HA   LEU 109           HA       LEU 109   5.952 -17.305   3.725
  911   1HB   LEU 109          2HB       LEU 109   5.808 -14.847   5.140
  912   2HB   LEU 109          1HB       LEU 109   5.400 -16.124   6.270
  913    HG   LEU 109           HG       LEU 109   7.616 -17.175   5.083
  914   1HD1  LEU 109          1HD1      LEU 109   9.280 -15.265   5.180
  915   2HD1  LEU 109          2HD1      LEU 109   7.889 -14.184   5.089
  916   3HD1  LEU 109          3HD1      LEU 109   8.215 -15.314   3.776
  917   1HD2  LEU 109          1HD2      LEU 109   7.663 -17.330   7.342
  918   2HD2  LEU 109          2HD2      LEU 109   7.053 -15.692   7.581
  919   3HD2  LEU 109          3HD2      LEU 109   8.749 -15.951   7.171
  920    H    GLU 110           H        GLU 110   4.865 -19.170   3.839
  921    HA   GLU 110           HA       GLU 110   2.468 -19.282   5.555
  922   1HB   GLU 110          2HB       GLU 110   1.662 -21.121   4.129
  923   2HB   GLU 110          1HB       GLU 110   1.876 -19.631   3.223
  924   1HG   GLU 110          2HG       GLU 110   3.518 -20.487   1.937
  925   2HG   GLU 110          1HG       GLU 110   4.181 -21.468   3.243
  926    H    HIS 111           H        HIS 111   5.058 -19.598   6.604
  927    HA   HIS 111           HA       HIS 111   5.565 -22.435   6.874
  928   1HB   HIS 111          2HB       HIS 111   7.071 -20.041   7.239
  929   2HB   HIS 111          1HB       HIS 111   7.070 -20.921   8.763
  930    HD1  HIS 111           1HD      HIS 111   8.389 -21.037   5.294
  931    HD2  HIS 111           2HD      HIS 111   8.347 -23.451   8.679
  932    HE1  HIS 111           1HE      HIS 111  10.116 -22.816   4.873
  933    HE2  HIS 111           2HE      HIS 111  10.112 -24.234   6.956
  934    H    HIS 112           H        HIS 112   3.787 -23.293   7.925
  935    HA   HIS 112           HA       HIS 112   3.258 -22.293  10.642
  936   1HB   HIS 112          2HB       HIS 112   1.517 -23.198   8.501
  937   2HB   HIS 112          1HB       HIS 112   1.233 -24.107   9.981
  938    HD1  HIS 112           1HD      HIS 112   1.818 -21.635  11.915
  939    HD2  HIS 112           2HD      HIS 112  -0.794 -21.686   8.681
  940    HE1  HIS 112           1HE      HIS 112   0.151 -19.810  12.370
  941    HE2  HIS 112           2HE      HIS 112  -1.460 -19.902  10.434
  942    H    HIS 113           H        HIS 113   2.478 -24.089  12.181
  943    HA   HIS 113           HA       HIS 113   4.080 -26.524  11.769
  944   1HB   HIS 113          2HB       HIS 113   4.132 -24.586  14.007
  945   2HB   HIS 113          1HB       HIS 113   4.163 -26.285  14.462
  946    HD1  HIS 113           1HD      HIS 113   6.540 -26.647  15.102
  947    HD2  HIS 113           2HD      HIS 113   6.180 -24.653  11.473
  948    HE1  HIS 113           1HE      HIS 113   8.880 -26.468  14.199
  949    HE2  HIS 113           2HE      HIS 113   8.622 -25.354  11.953
  950    H    HIS 114           H        HIS 114   1.683 -26.899  10.977
  951    HA   HIS 114           HA       HIS 114  -0.200 -28.151  11.198
  952   1HB   HIS 114          2HB       HIS 114   1.538 -29.128  13.374
  953   2HB   HIS 114          1HB       HIS 114  -0.176 -29.472  13.578
  954    HD1  HIS 114           1HD      HIS 114  -1.023 -30.190  10.769
  955    HD2  HIS 114           2HD      HIS 114   2.563 -31.448  12.450
  956    HE1  HIS 114           1HE      HIS 114  -0.357 -32.240   9.474
  957    HE2  HIS 114           2HE      HIS 114   1.846 -32.949  10.470
  958    H    HIS 115           H        HIS 115  -1.952 -26.884  11.397
  959    HA   HIS 115           HA       HIS 115  -2.447 -25.065  13.460
  960   1HB   HIS 115          2HB       HIS 115  -4.736 -24.933  12.616
  961   2HB   HIS 115          1HB       HIS 115  -3.583 -24.936  11.290
  962    HD1  HIS 115           1HD      HIS 115  -6.608 -25.742  11.024
  963    HD2  HIS 115           2HD      HIS 115  -3.436 -28.398  11.410
  964    HE1  HIS 115           1HE      HIS 115  -7.410 -27.900  10.014
  965    HE2  HIS 115           2HE      HIS 115  -5.506 -29.518  10.344
  966    H    HIS 116           H        HIS 116  -3.069 -25.294  15.496
  967    HA   HIS 116           HA       HIS 116  -3.804 -27.925  16.475
  968   1HB   HIS 116          2HB       HIS 116  -3.198 -25.313  17.868
  969   2HB   HIS 116          1HB       HIS 116  -3.731 -26.749  18.730
  970    HD1  HIS 116           1HD      HIS 116  -1.429 -27.474  15.948
  971    HD2  HIS 116           2HD      HIS 116  -1.141 -26.584  19.999
  972    HE1  HIS 116           1HE      HIS 116   0.907 -28.114  16.612
  973    HE2  HIS 116           2HE      HIS 116   1.045 -27.614  19.077
  Start of MODEL   10
    1   1H    MET   0          1HT       MET   0   2.101 -26.812  -2.985
    2   2H    MET   0          2HT       MET   0   1.106 -26.300  -4.288
    3   3H    MET   0          3HT       MET   0   0.899 -25.616  -2.728
    4    HA   MET   0           HA       MET   0   3.110 -24.695  -2.841
    5   1HB   MET   0          2HB       MET   0   3.858 -26.487  -4.486
    6   2HB   MET   0          1HB       MET   0   3.037 -25.563  -5.738
    7   1HG   MET   0          2HG       MET   0   4.510 -23.600  -4.862
    8   2HG   MET   0          1HG       MET   0   5.502 -24.896  -4.197
    9   1HE   MET   0          1HE       MET   0   4.313 -22.869  -6.895
   10   2HE   MET   0          2HE       MET   0   5.019 -23.445  -8.405
   11   3HE   MET   0          3HE       MET   0   6.028 -22.621  -7.217
   12    H    GLU   1           H        GLU   1   1.829 -22.913  -2.424
   13    HA   GLU   1           HA       GLU   1   0.713 -20.970  -2.794
   14   1HB   GLU   1          2HB       GLU   1   1.927 -21.164  -5.556
   15   2HB   GLU   1          1HB       GLU   1   1.309 -19.706  -4.789
   16   1HG   GLU   1          2HG       GLU   1   3.150 -19.428  -3.517
   17   2HG   GLU   1          1HG       GLU   1   3.398 -21.158  -3.304
   18    H    GLU   2           H        GLU   2  -0.721 -23.410  -3.257
   19    HA   GLU   2           HA       GLU   2  -2.748 -22.422  -5.143
   20   1HB   GLU   2          2HB       GLU   2  -3.258 -24.797  -5.713
   21   2HB   GLU   2          1HB       GLU   2  -1.666 -24.274  -6.245
   22   1HG   GLU   2          2HG       GLU   2  -0.789 -25.320  -4.094
   23   2HG   GLU   2          1HG       GLU   2  -2.371 -26.081  -3.958
   24    H    VAL   3           H        VAL   3  -4.909 -22.822  -4.570
   25    HA   VAL   3           HA       VAL   3  -6.684 -23.049  -3.167
   26    HB   VAL   3           HB       VAL   3  -5.052 -25.036  -1.588
   27   1HG1  VAL   3          1HG1      VAL   3  -7.490 -26.048  -1.564
   28   2HG1  VAL   3          2HG1      VAL   3  -7.939 -24.367  -1.853
   29   3HG1  VAL   3          3HG1      VAL   3  -7.004 -24.797  -0.422
   30   1HG2  VAL   3          1HG2      VAL   3  -5.684 -26.767  -3.089
   31   2HG2  VAL   3          2HG2      VAL   3  -4.985 -25.480  -4.069
   32   3HG2  VAL   3          3HG2      VAL   3  -6.736 -25.686  -4.002
   33    H    GLU   4           H        GLU   4  -4.278 -21.261  -2.491
   34    HA   GLU   4           HA       GLU   4  -5.071 -20.715   0.291
   35   1HB   GLU   4          2HB       GLU   4  -2.345 -20.875  -0.923
   36   2HB   GLU   4          1HB       GLU   4  -2.627 -19.712   0.364
   37   1HG   GLU   4          2HG       GLU   4  -3.317 -21.477   1.860
   38   2HG   GLU   4          1HG       GLU   4  -3.156 -22.668   0.569
   39    H    GLN   5           H        GLN   5  -5.888 -19.629  -2.427
   40    HA   GLN   5           HA       GLN   5  -4.879 -16.955  -2.553
   41   1HB   GLN   5          2HB       GLN   5  -7.396 -18.061  -3.813
   42   2HB   GLN   5          1HB       GLN   5  -6.540 -16.600  -4.282
   43   1HG   GLN   5          2HG       GLN   5  -5.256 -17.745  -5.669
   44   2HG   GLN   5          1HG       GLN   5  -4.733 -18.808  -4.365
   45   1HE2  GLN   5          1HE2      GLN   5  -5.089 -19.598  -7.037
   46   2HE2  GLN   5          2HE2      GLN   5  -6.373 -20.753  -7.092
   47    H    THR   6           H        THR   6  -7.696 -18.509  -1.136
   48    HA   THR   6           HA       THR   6  -9.163 -16.186  -0.527
   49    HB   THR   6           HB       THR   6  -9.453 -18.367   1.414
   50    HG1  THR   6           1HG      THR   6  -9.920 -18.960  -1.321
   51   1HG2  THR   6          1HG2      THR   6 -11.451 -17.418   1.398
   52   2HG2  THR   6          2HG2      THR   6 -11.728 -18.249  -0.131
   53   3HG2  THR   6          3HG2      THR   6 -11.135 -16.588  -0.125
   54    HA   PRO   7           HA       PRO   7  -7.141 -16.485   3.946
   55   1HB   PRO   7          2HB       PRO   7  -4.657 -17.711   3.885
   56   2HB   PRO   7          1HB       PRO   7  -6.146 -18.462   4.452
   57   1HG   PRO   7          2HG       PRO   7  -4.792 -18.707   1.807
   58   2HG   PRO   7          1HG       PRO   7  -5.620 -19.947   2.764
   59   1HD   PRO   7          2HD       PRO   7  -6.780 -18.823   0.628
   60   2HD   PRO   7          1HD       PRO   7  -7.722 -19.264   2.068
   61    H    LEU   8           H        LEU   8  -4.997 -16.441   1.127
   62    HA   LEU   8           HA       LEU   8  -3.111 -14.590   2.020
   63   1HB   LEU   8          2HB       LEU   8  -3.790 -15.856  -0.447
   64   2HB   LEU   8          1HB       LEU   8  -3.581 -14.145  -0.759
   65    HG   LEU   8           HG       LEU   8  -1.519 -15.445  -1.125
   66   1HD1  LEU   8          1HD1      LEU   8  -1.605 -13.323   0.983
   67   2HD1  LEU   8          2HD1      LEU   8  -1.095 -13.205  -0.701
   68   3HD1  LEU   8          3HD1      LEU   8  -0.075 -14.036   0.474
   69   1HD2  LEU   8          1HD2      LEU   8  -2.122 -16.360   1.602
   70   2HD2  LEU   8          2HD2      LEU   8  -0.434 -15.953   1.301
   71   3HD2  LEU   8          3HD2      LEU   8  -1.242 -17.160   0.301
   72    H    GLN   9           H        GLN   9  -6.260 -14.073   0.477
   73    HA   GLN   9           HA       GLN   9  -6.050 -11.285   0.124
   74   1HB   GLN   9          2HB       GLN   9  -7.783 -12.825  -0.891
   75   2HB   GLN   9          1HB       GLN   9  -8.603 -12.803   0.665
   76   1HG   GLN   9          2HG       GLN   9  -8.201 -10.129   0.085
   77   2HG   GLN   9          1HG       GLN   9  -8.611 -10.849  -1.471
   78   1HE2  GLN   9          1HE2      GLN   9 -10.657 -10.277  -1.802
   79   2HE2  GLN   9          2HE2      GLN   9 -11.963 -10.550  -0.705
   80    H    GLU  10           H        GLU  10  -7.300 -13.231   2.816
   81    HA   GLU  10           HA       GLU  10  -8.223 -11.088   4.399
   82   1HB   GLU  10          2HB       GLU  10  -8.850 -13.448   4.782
   83   2HB   GLU  10          1HB       GLU  10  -7.204 -13.793   5.296
   84   1HG   GLU  10          2HG       GLU  10  -7.654 -13.147   7.360
   85   2HG   GLU  10          1HG       GLU  10  -8.250 -11.588   6.795
   86    H    ALA  11           H        ALA  11  -5.096 -12.758   4.258
   87    HA   ALA  11           HA       ALA  11  -3.849 -11.494   6.420
   88   1HB   ALA  11          1HB       ALA  11  -1.788 -12.266   5.537
   89   2HB   ALA  11          2HB       ALA  11  -2.438 -12.345   3.900
   90   3HB   ALA  11          3HB       ALA  11  -2.996 -13.484   5.126
   91    H    LEU  12           H        LEU  12  -3.934 -10.589   2.979
   92    HA   LEU  12           HA       LEU  12  -2.292  -8.341   3.102
   93   1HB   LEU  12          2HB       LEU  12  -4.692  -8.844   1.338
   94   2HB   LEU  12          1HB       LEU  12  -3.528  -7.557   1.089
   95    HG   LEU  12           HG       LEU  12  -2.705 -10.451   1.128
   96   1HD1  LEU  12          1HD1      LEU  12  -2.678  -9.902  -1.477
   97   2HD1  LEU  12          2HD1      LEU  12  -4.050  -8.901  -1.004
   98   3HD1  LEU  12          3HD1      LEU  12  -4.067 -10.634  -0.674
   99   1HD2  LEU  12          1HD2      LEU  12  -1.135  -8.345   1.313
  100   2HD2  LEU  12          2HD2      LEU  12  -1.375  -8.299  -0.434
  101   3HD2  LEU  12          3HD2      LEU  12  -0.690  -9.736   0.324
  102    H    ASN  13           H        ASN  13  -5.785  -8.637   3.649
  103    HA   ASN  13           HA       ASN  13  -6.324  -5.899   3.998
  104   1HB   ASN  13          2HB       ASN  13  -7.731  -8.344   5.087
  105   2HB   ASN  13          1HB       ASN  13  -8.354  -6.707   5.253
  106   1HD2  ASN  13          1HD2      ASN  13  -9.716  -8.794   3.969
  107   2HD2  ASN  13          2HD2      ASN  13  -9.868  -8.393   2.295
  108    H    GLN  14           H        GLN  14  -5.325  -8.413   6.283
  109    HA   GLN  14           HA       GLN  14  -5.595  -6.857   8.630
  110   1HB   GLN  14          2HB       GLN  14  -3.770  -9.202   8.066
  111   2HB   GLN  14          1HB       GLN  14  -4.073  -8.526   9.660
  112   1HG   GLN  14          2HG       GLN  14  -6.270  -9.296   9.704
  113   2HG   GLN  14          1HG       GLN  14  -6.319  -9.533   7.958
  114   1HE2  GLN  14          1HE2      GLN  14  -7.214 -11.629   8.923
  115   2HE2  GLN  14          2HE2      GLN  14  -6.069 -12.900   9.156
  116    H    LEU  15           H        LEU  15  -2.798  -7.509   6.522
  117    HA   LEU  15           HA       LEU  15  -0.904  -6.043   7.984
  118   1HB   LEU  15          2HB       LEU  15  -1.124  -6.976   5.160
  119   2HB   LEU  15          1HB       LEU  15   0.111  -5.793   5.546
  120    HG   LEU  15           HG       LEU  15   1.150  -7.300   7.122
  121   1HD1  LEU  15          1HD1      LEU  15  -1.026  -8.354   7.853
  122   2HD1  LEU  15          2HD1      LEU  15   0.335  -9.455   7.655
  123   3HD1  LEU  15          3HD1      LEU  15  -0.916  -9.371   6.417
  124   1HD2  LEU  15          1HD2      LEU  15   0.514  -8.503   4.442
  125   2HD2  LEU  15          2HD2      LEU  15   1.700  -9.192   5.549
  126   3HD2  LEU  15          3HD2      LEU  15   1.932  -7.568   4.906
  127    H    MET  16           H        MET  16  -3.060  -5.066   5.336
  128    HA   MET  16           HA       MET  16  -2.133  -2.426   5.064
  129   1HB   MET  16          2HB       MET  16  -3.601  -3.606   3.436
  130   2HB   MET  16          1HB       MET  16  -4.933  -3.462   4.574
  131   1HG   MET  16          2HG       MET  16  -5.407  -1.637   3.367
  132   2HG   MET  16          1HG       MET  16  -4.196  -0.887   4.406
  133   1HE   MET  16          1HE       MET  16  -3.986  -3.415   1.479
  134   2HE   MET  16          2HE       MET  16  -3.349  -2.445   0.152
  135   3HE   MET  16          3HE       MET  16  -4.993  -2.176   0.730
  136    H    ARG  17           H        ARG  17  -4.451  -3.892   7.268
  137    HA   ARG  17           HA       ARG  17  -5.551  -1.485   8.281
  138   1HB   ARG  17          2HB       ARG  17  -5.472  -4.329   9.214
  139   2HB   ARG  17          1HB       ARG  17  -6.041  -3.078  10.310
  140   1HG   ARG  17          2HG       ARG  17  -7.483  -2.473   8.120
  141   2HG   ARG  17          1HG       ARG  17  -7.307  -4.215   7.908
  142   1HD   ARG  17          2HD       ARG  17  -9.343  -3.651   9.147
  143   2HD   ARG  17          1HD       ARG  17  -8.223  -4.599  10.126
  144    HE   ARG  17           HE       ARG  17  -7.726  -1.901  10.635
  145   1HH1  ARG  17          1HH1      ARG  17 -10.312  -4.213  11.098
  146   2HH1  ARG  17          2HH1      ARG  17 -10.916  -3.440  12.521
  147   1HH2  ARG  17          1HH2      ARG  17  -8.524  -0.888  12.520
  148   2HH2  ARG  17          2HH2      ARG  17  -9.904  -1.554  13.330
  149    H    GLN  18           H        GLN  18  -2.780  -3.465   9.221
  150    HA   GLN  18           HA       GLN  18  -2.196  -2.149  11.646
  151   1HB   GLN  18          2HB       GLN  18  -1.210  -4.348  10.406
  152   2HB   GLN  18          1HB       GLN  18   0.086  -3.203  10.082
  153   1HG   GLN  18          2HG       GLN  18   0.311  -2.766  12.469
  154   2HG   GLN  18          1HG       GLN  18  -1.008  -3.888  12.803
  155   1HE2  GLN  18          1HE2      GLN  18  -0.672  -6.134  11.991
  156   2HE2  GLN  18          2HE2      GLN  18   0.918  -6.799  12.126
  157    H    LEU  19           H        LEU  19  -0.899  -1.673   8.353
  158    HA   LEU  19           HA       LEU  19   0.789   0.492   9.068
  159   1HB   LEU  19          2HB       LEU  19   0.954   0.912   6.640
  160   2HB   LEU  19          1HB       LEU  19   1.278  -0.751   7.082
  161    HG   LEU  19           HG       LEU  19  -1.285  -1.047   6.479
  162   1HD1  LEU  19          1HD1      LEU  19  -2.140   0.909   5.772
  163   2HD1  LEU  19          2HD1      LEU  19  -1.359   0.480   4.252
  164   3HD1  LEU  19          3HD1      LEU  19  -0.559   1.580   5.374
  165   1HD2  LEU  19          1HD2      LEU  19  -0.325  -1.249   3.990
  166   2HD2  LEU  19          2HD2      LEU  19   0.044  -2.411   5.264
  167   3HD2  LEU  19          3HD2      LEU  19   1.193  -1.132   4.878
  168    H    GLN  20           H        GLN  20  -2.555   0.285   8.038
  169    HA   GLN  20           HA       GLN  20  -2.926   3.034   7.460
  170   1HB   GLN  20          2HB       GLN  20  -4.426   1.100   6.775
  171   2HB   GLN  20          1HB       GLN  20  -5.059   1.119   8.415
  172   1HG   GLN  20          2HG       GLN  20  -6.312   2.940   8.048
  173   2HG   GLN  20          1HG       GLN  20  -5.080   3.720   7.058
  174   1HE2  GLN  20          1HE2      GLN  20  -8.007   3.371   6.684
  175   2HE2  GLN  20          2HE2      GLN  20  -8.178   2.639   5.129
  176    H    ARG  21           H        ARG  21  -3.379   1.096  10.390
  177    HA   ARG  21           HA       ARG  21  -4.450   3.240  11.949
  178   1HB   ARG  21          2HB       ARG  21  -3.478   0.473  12.538
  179   2HB   ARG  21          1HB       ARG  21  -3.775   1.592  13.861
  180   1HG   ARG  21          2HG       ARG  21  -6.080   1.900  12.583
  181   2HG   ARG  21          1HG       ARG  21  -5.684   0.276  12.017
  182   1HD   ARG  21          2HD       ARG  21  -6.985  -0.004  13.970
  183   2HD   ARG  21          1HD       ARG  21  -5.324  -0.353  14.435
  184    HE   ARG  21           HE       ARG  21  -6.897   1.995  15.195
  185   1HH1  ARG  21          1HH1      ARG  21  -3.890   0.201  15.429
  186   2HH1  ARG  21          2HH1      ARG  21  -3.325   1.095  16.799
  187   1HH2  ARG  21          1HH2      ARG  21  -6.137   3.164  17.001
  188   2HH2  ARG  21          2HH2      ARG  21  -4.596   2.773  17.689
  189    H    LYS  22           H        LYS  22  -1.250   2.396  11.038
  190    HA   LYS  22           HA       LYS  22   0.321   3.033  13.182
  191   1HB   LYS  22          2HB       LYS  22   0.724   2.669  10.442
  192   2HB   LYS  22          1HB       LYS  22   1.398   4.254  10.779
  193   1HG   LYS  22          2HG       LYS  22   3.131   2.626  10.982
  194   2HG   LYS  22          1HG       LYS  22   2.753   3.241  12.591
  195   1HD   LYS  22          2HD       LYS  22   2.814   0.996  13.036
  196   2HD   LYS  22          1HD       LYS  22   1.111   1.169  12.615
  197   1HE   LYS  22          2HE       LYS  22   1.335  -0.214  10.887
  198   2HE   LYS  22          1HE       LYS  22   2.680   0.724  10.245
  199   1HZ   LYS  22          1HZ       LYS  22   3.290  -0.979  12.524
  200   2HZ   LYS  22          2HZ       LYS  22   4.186  -0.681  11.123
  201   3HZ   LYS  22          3HZ       LYS  22   2.909  -1.786  11.086
  202    H    ASP  23           H        ASP  23  -0.189   5.490  10.629
  203    HA   ASP  23           HA       ASP  23  -1.314   7.514  12.052
  204   1HB   ASP  23          2HB       ASP  23   1.388   7.096  12.958
  205   2HB   ASP  23          1HB       ASP  23   1.226   8.696  12.243
  206    HA   PRO  24           HA       PRO  24   1.321   9.464   8.419
  207   1HB   PRO  24          2HB       PRO  24   2.513   7.006   7.290
  208   2HB   PRO  24          1HB       PRO  24   3.250   8.585   7.576
  209   1HG   PRO  24          2HG       PRO  24   3.849   6.479   9.112
  210   2HG   PRO  24          1HG       PRO  24   3.717   8.110   9.792
  211   1HD   PRO  24          2HD       PRO  24   1.758   5.857   9.904
  212   2HD   PRO  24          1HD       PRO  24   2.222   7.020  11.160
  213    H    SER  25           H        SER  25  -0.516   6.550   8.435
  214    HA   SER  25           HA       SER  25  -1.206   6.643   5.629
  215   1HB   SER  25          2HB       SER  25  -1.048   4.571   7.291
  216   2HB   SER  25          1HB       SER  25  -2.741   4.975   7.569
  217    HG   SER  25           HG       SER  25  -3.113   3.953   5.781
  218    H    ALA  26           H        ALA  26  -2.037   8.725   7.910
  219    HA   ALA  26           HA       ALA  26  -4.920   8.672   7.593
  220   1HB   ALA  26          1HB       ALA  26  -3.582   9.354   9.707
  221   2HB   ALA  26          2HB       ALA  26  -5.029  10.262   9.267
  222   3HB   ALA  26          3HB       ALA  26  -3.432  10.915   8.896
  223    H    PHE  27           H        PHE  27  -2.640   9.537   5.485
  224    HA   PHE  27           HA       PHE  27  -4.057  11.958   4.596
  225   1HB   PHE  27          2HB       PHE  27  -1.274  11.035   3.852
  226   2HB   PHE  27          1HB       PHE  27  -2.046  12.529   3.331
  227    HD1  PHE  27           2HD      PHE  27  -0.580  10.750   6.194
  228    HD2  PHE  27           1HD      PHE  27  -2.181  14.425   4.766
  229    HE1  PHE  27           2HE      PHE  27   0.299  11.901   8.182
  230    HE2  PHE  27           1HE      PHE  27  -1.306  15.583   6.753
  231    HZ   PHE  27           HZ       PHE  27  -0.065  14.322   8.464
  232    H    PHE  28           H        PHE  28  -2.910   8.778   3.607
  233    HA   PHE  28           HA       PHE  28  -4.339   9.111   1.052
  234   1HB   PHE  28          2HB       PHE  28  -2.226   7.030   1.616
  235   2HB   PHE  28          1HB       PHE  28  -2.857   7.540   0.055
  236    HD1  PHE  28           1HD      PHE  28  -2.648  10.309  -0.127
  237    HD2  PHE  28           2HD      PHE  28  -0.047   7.651   1.943
  238    HE1  PHE  28           1HE      PHE  28  -0.825  11.944  -0.323
  239    HE2  PHE  28           2HE      PHE  28   1.783   9.284   1.747
  240    HZ   PHE  28           HZ       PHE  28   1.394  11.435   0.613
  241    H    SER  29           H        SER  29  -5.559   8.385   3.623
  242    HA   SER  29           HA       SER  29  -6.167   5.557   3.380
  243   1HB   SER  29          2HB       SER  29  -5.907   6.392   5.621
  244   2HB   SER  29          1HB       SER  29  -7.072   7.681   5.337
  245    HG   SER  29           HG       SER  29  -8.705   6.220   5.362
  246    H    PHE  30           H        PHE  30  -7.138   8.028   1.579
  247    HA   PHE  30           HA       PHE  30  -9.733   6.827   1.047
  248   1HB   PHE  30          2HB       PHE  30  -9.422   9.355   2.395
  249   2HB   PHE  30          1HB       PHE  30 -10.166   9.613   0.821
  250    HD1  PHE  30           1HD      PHE  30 -10.478   7.569   3.913
  251    HD2  PHE  30           2HD      PHE  30 -12.436   9.245   0.526
  252    HE1  PHE  30           1HE      PHE  30 -12.655   6.879   4.834
  253    HE2  PHE  30           2HE      PHE  30 -14.614   8.559   1.439
  254    HZ   PHE  30           HZ       PHE  30 -14.727   7.375   3.595
  255    HA   PRO  31           HA       PRO  31  -8.571   7.336  -3.180
  256   1HB   PRO  31          2HB       PRO  31 -11.365   8.222  -3.691
  257   2HB   PRO  31          1HB       PRO  31 -10.455   6.894  -4.421
  258   1HG   PRO  31          2HG       PRO  31 -12.366   6.405  -2.635
  259   2HG   PRO  31          1HG       PRO  31 -10.865   5.462  -2.639
  260   1HD   PRO  31          2HD       PRO  31 -11.697   7.694  -0.827
  261   2HD   PRO  31          1HD       PRO  31 -10.836   6.190  -0.442
  262    H    VAL  32           H        VAL  32  -7.212   9.120  -3.213
  263    HA   VAL  32           HA       VAL  32  -7.986  11.767  -2.778
  264    HB   VAL  32           HB       VAL  32  -5.915  12.387  -4.100
  265   1HG1  VAL  32          1HG1      VAL  32  -4.397  11.480  -2.348
  266   2HG1  VAL  32          2HG1      VAL  32  -5.743  10.505  -1.759
  267   3HG1  VAL  32          3HG1      VAL  32  -5.845  12.266  -1.720
  268   1HG2  VAL  32          1HG2      VAL  32  -4.703   9.824  -3.986
  269   2HG2  VAL  32          2HG2      VAL  32  -4.942  10.873  -5.382
  270   3HG2  VAL  32          3HG2      VAL  32  -6.186   9.711  -4.927
  271    H    THR  33           H        THR  33  -9.013  13.231  -3.938
  272    HA   THR  33           HA       THR  33  -9.533  12.653  -6.779
  273    HB   THR  33           HB       THR  33 -11.385  14.575  -5.848
  274    HG1  THR  33           1HG      THR  33 -11.355  12.325  -4.128
  275   1HG2  THR  33          1HG2      THR  33 -11.815  11.638  -6.305
  276   2HG2  THR  33          2HG2      THR  33 -11.856  12.892  -7.545
  277   3HG2  THR  33          3HG2      THR  33 -13.060  12.886  -6.255
  278    H    ASP  34           H        ASP  34 -10.472  15.055  -7.657
  279    HA   ASP  34           HA       ASP  34  -8.075  16.586  -7.921
  280   1HB   ASP  34          2HB       ASP  34 -10.354  16.226  -9.429
  281   2HB   ASP  34          1HB       ASP  34 -10.530  17.872  -8.842
  282    H    PHE  35           H        PHE  35 -10.223  16.519  -5.427
  283    HA   PHE  35           HA       PHE  35  -9.869  19.380  -4.820
  284   1HB   PHE  35          2HB       PHE  35 -11.954  17.644  -3.519
  285   2HB   PHE  35          1HB       PHE  35 -11.907  19.399  -3.651
  286    HD1  PHE  35           2HD      PHE  35 -12.232  16.322  -5.724
  287    HD2  PHE  35           1HD      PHE  35 -13.128  20.463  -5.301
  288    HE1  PHE  35           2HE      PHE  35 -13.682  16.209  -7.711
  289    HE2  PHE  35           1HE      PHE  35 -14.577  20.357  -7.286
  290    HZ   PHE  35           HZ       PHE  35 -14.856  18.229  -8.494
  291    H    ILE  36           H        ILE  36  -9.730  16.083  -3.585
  292    HA   ILE  36           HA       ILE  36  -8.763  16.910  -0.998
  293    HB   ILE  36           HB       ILE  36  -9.437  14.310  -2.293
  294   1HG1  ILE  36          2HG1      ILE  36 -10.007  15.141   0.533
  295   2HG1  ILE  36          1HG1      ILE  36 -10.916  15.855  -0.795
  296   1HG2  ILE  36          1HG2      ILE  36  -8.503  13.177  -0.198
  297   2HG2  ILE  36          2HG2      ILE  36  -7.514  14.626  -0.014
  298   3HG2  ILE  36          3HG2      ILE  36  -7.365  13.634  -1.467
  299   1HD1  ILE  36          1HD1      ILE  36 -11.842  13.787  -1.406
  300   2HD1  ILE  36          2HD1      ILE  36 -11.946  13.856   0.353
  301   3HD1  ILE  36          3HD1      ILE  36 -10.689  12.887  -0.420
  302    H    ALA  37           H        ALA  37  -7.437  15.669  -4.018
  303    HA   ALA  37           HA       ALA  37  -4.743  15.602  -2.847
  304   1HB   ALA  37          1HB       ALA  37  -6.072  14.036  -4.822
  305   2HB   ALA  37          2HB       ALA  37  -4.470  13.811  -4.123
  306   3HB   ALA  37          3HB       ALA  37  -4.672  14.814  -5.558
  307    HA   PRO  38           HA       PRO  38  -3.533  19.349  -4.834
  308   1HB   PRO  38          2HB       PRO  38  -0.903  18.943  -5.247
  309   2HB   PRO  38          1HB       PRO  38  -1.576  19.216  -3.636
  310   1HG   PRO  38          2HG       PRO  38  -0.796  16.651  -4.963
  311   2HG   PRO  38          1HG       PRO  38  -0.537  17.168  -3.287
  312   1HD   PRO  38          2HD       PRO  38  -2.536  15.474  -4.037
  313   2HD   PRO  38          1HD       PRO  38  -2.658  16.566  -2.644
  314    H    GLY  39           H        GLY  39  -3.716  16.589  -6.484
  315   1HA   GLY  39          2HA       GLY  39  -4.376  17.065  -8.895
  316   2HA   GLY  39          1HA       GLY  39  -2.752  17.726  -9.017
  317    H    TYR  40           H        TYR  40  -3.621  14.846  -7.180
  318    HA   TYR  40           HA       TYR  40  -1.562  13.267  -8.173
  319   1HB   TYR  40          2HB       TYR  40  -4.130  12.689  -6.754
  320   2HB   TYR  40          1HB       TYR  40  -3.261  11.337  -7.472
  321    HD1  TYR  40           2HD      TYR  40  -2.100  14.397  -5.668
  322    HD2  TYR  40           1HD      TYR  40  -2.203  10.135  -5.775
  323    HE1  TYR  40           2HE      TYR  40  -0.635  14.314  -3.701
  324    HE2  TYR  40           1HE      TYR  40  -0.739  10.051  -3.810
  325    HH   TYR  40           HH       TYR  40   0.008  12.844  -1.931
  326    H    SER  41           H        SER  41  -5.001  13.227  -9.145
  327    HA   SER  41           HA       SER  41  -4.636  11.357 -11.243
  328   1HB   SER  41          2HB       SER  41  -6.822  12.396 -10.010
  329   2HB   SER  41          1HB       SER  41  -6.859  13.282 -11.534
  330    HG   SER  41           HG       SER  41  -6.799  11.264 -12.616
  331    H    MET  42           H        MET  42  -4.160  14.799 -11.065
  332    HA   MET  42           HA       MET  42  -4.256  15.242 -13.898
  333   1HB   MET  42          2HB       MET  42  -4.558  16.879 -11.786
  334   2HB   MET  42          1HB       MET  42  -2.871  17.198 -12.158
  335   1HG   MET  42          2HG       MET  42  -3.446  18.524 -13.828
  336   2HG   MET  42          1HG       MET  42  -4.384  17.237 -14.579
  337   1HE   MET  42          1HE       MET  42  -5.695  21.067 -13.283
  338   2HE   MET  42          2HE       MET  42  -4.083  20.374 -13.123
  339   3HE   MET  42          3HE       MET  42  -5.173  20.400 -11.736
  340    H    ILE  43           H        ILE  43  -1.722  14.410 -11.611
  341    HA   ILE  43           HA       ILE  43   0.263  14.778 -13.759
  342    HB   ILE  43           HB       ILE  43   0.625  16.109 -11.671
  343   1HG1  ILE  43          2HG1      ILE  43   3.055  14.736 -11.456
  344   2HG1  ILE  43          1HG1      ILE  43   2.496  14.415 -13.094
  345   1HG2  ILE  43          1HG2      ILE  43  -0.176  14.429 -10.067
  346   2HG2  ILE  43          2HG2      ILE  43   1.438  15.015  -9.675
  347   3HG2  ILE  43          3HG2      ILE  43   1.236  13.434 -10.424
  348   1HD1  ILE  43          1HD1      ILE  43   3.355  16.368 -13.665
  349   2HD1  ILE  43          2HD1      ILE  43   3.645  16.800 -11.980
  350   3HD1  ILE  43          3HD1      ILE  43   2.078  17.135 -12.720
  351    H    ILE  44           H        ILE  44  -0.791  12.559 -11.204
  352    HA   ILE  44           HA       ILE  44   0.750  10.448 -12.513
  353    HB   ILE  44           HB       ILE  44   1.025  11.228  -9.920
  354   1HG1  ILE  44          2HG1      ILE  44   1.721   8.509 -10.002
  355   2HG1  ILE  44          1HG1      ILE  44   1.867   9.092 -11.651
  356   1HG2  ILE  44          1HG2      ILE  44  -1.172  10.375  -9.292
  357   2HG2  ILE  44          2HG2      ILE  44   0.123   9.492  -8.489
  358   3HG2  ILE  44          3HG2      ILE  44  -0.711   8.774  -9.867
  359   1HD1  ILE  44          1HD1      ILE  44   3.091  10.601  -9.383
  360   2HD1  ILE  44          2HD1      ILE  44   3.508  10.621 -11.097
  361   3HD1  ILE  44          3HD1      ILE  44   3.908   9.216 -10.108
  362    H    LYS  45           H        LYS  45  -0.517   9.465 -13.821
  363    HA   LYS  45           HA       LYS  45  -3.258   9.257 -13.830
  364   1HB   LYS  45          2HB       LYS  45  -1.097   8.229 -15.341
  365   2HB   LYS  45          1HB       LYS  45  -2.174   6.883 -14.997
  366   1HG   LYS  45          2HG       LYS  45  -3.770   7.647 -16.373
  367   2HG   LYS  45          1HG       LYS  45  -3.540   9.322 -15.873
  368   1HD   LYS  45          2HD       LYS  45  -1.307   8.233 -17.419
  369   2HD   LYS  45          1HD       LYS  45  -2.832   8.273 -18.304
  370   1HE   LYS  45          2HE       LYS  45  -3.026  10.592 -18.100
  371   2HE   LYS  45          1HE       LYS  45  -1.869  10.666 -16.774
  372   1HZ   LYS  45          1HZ       LYS  45  -1.364  10.396 -19.661
  373   2HZ   LYS  45          2HZ       LYS  45  -0.226   9.804 -18.558
  374   3HZ   LYS  45          3HZ       LYS  45  -0.646  11.442 -18.542
  375    H    HIS  46           H        HIS  46  -0.989   6.767 -12.577
  376    HA   HIS  46           HA       HIS  46  -3.312   5.502 -11.277
  377   1HB   HIS  46          2HB       HIS  46  -1.420   4.405 -13.019
  378   2HB   HIS  46          1HB       HIS  46  -0.984   3.787 -11.432
  379    HD1  HIS  46           1HD      HIS  46  -4.197   3.806 -10.627
  380    HD2  HIS  46           2HD      HIS  46  -2.280   1.798 -13.719
  381    HE1  HIS  46           1HE      HIS  46  -5.693   1.871 -11.200
  382    HE2  HIS  46           2HE      HIS  46  -4.545   0.704 -13.115
  383    HA   PRO  47           HA       PRO  47  -0.687   6.857  -7.716
  384   1HB   PRO  47          2HB       PRO  47  -2.674   7.944  -6.253
  385   2HB   PRO  47          1HB       PRO  47  -1.852   8.837  -7.536
  386   1HG   PRO  47          2HG       PRO  47  -4.530   7.541  -7.543
  387   2HG   PRO  47          1HG       PRO  47  -3.997   9.031  -8.336
  388   1HD   PRO  47          2HD       PRO  47  -4.298   6.567  -9.587
  389   2HD   PRO  47          1HD       PRO  47  -3.340   7.925 -10.205
  390    H    MET  48           H        MET  48  -3.970   5.515  -7.548
  391    HA   MET  48           HA       MET  48  -4.965   3.972  -6.216
  392   1HB   MET  48          2HB       MET  48  -2.534   2.859  -7.299
  393   2HB   MET  48          1HB       MET  48  -2.924   2.109  -5.759
  394   1HG   MET  48          2HG       MET  48  -3.849   1.021  -7.856
  395   2HG   MET  48          1HG       MET  48  -4.974   1.310  -6.531
  396   1HE   MET  48          1HE       MET  48  -6.716   0.775  -7.884
  397   2HE   MET  48          2HE       MET  48  -6.688   1.095  -9.617
  398   3HE   MET  48          3HE       MET  48  -7.718   2.059  -8.558
  399    H    ASP  49           H        ASP  49  -5.389   5.006  -4.316
  400    HA   ASP  49           HA       ASP  49  -3.404   5.240  -2.228
  401   1HB   ASP  49          2HB       ASP  49  -6.382   5.728  -2.028
  402   2HB   ASP  49          1HB       ASP  49  -5.135   6.311  -0.933
  403    H    PHE  50           H        PHE  50  -4.197   4.548   0.062
  404    HA   PHE  50           HA       PHE  50  -4.222   1.738   0.147
  405   1HB   PHE  50          2HB       PHE  50  -5.027   3.624   2.371
  406   2HB   PHE  50          1HB       PHE  50  -4.487   1.956   2.546
  407    HD1  PHE  50           2HD      PHE  50  -2.180   1.767   0.843
  408    HD2  PHE  50           1HD      PHE  50  -3.440   4.985   3.325
  409    HE1  PHE  50           2HE      PHE  50   0.147   2.546   1.006
  410    HE2  PHE  50           1HE      PHE  50  -1.118   5.768   3.495
  411    HZ   PHE  50           HZ       PHE  50   0.682   4.550   2.332
  412    H    SER  51           H        SER  51  -6.820   4.108   0.316
  413    HA   SER  51           HA       SER  51  -8.860   2.272   1.083
  414   1HB   SER  51          2HB       SER  51  -8.949   4.806   1.305
  415   2HB   SER  51          1HB       SER  51  -9.274   4.857  -0.427
  416    HG   SER  51           HG       SER  51 -11.158   3.686  -0.076
  417    H    THR  52           H        THR  52  -7.712   3.535  -2.028
  418    HA   THR  52           HA       THR  52  -9.706   2.289  -3.611
  419    HB   THR  52           HB       THR  52  -6.966   2.852  -4.686
  420    HG1  THR  52           1HG      THR  52  -8.862   4.838  -3.960
  421   1HG2  THR  52          1HG2      THR  52  -9.538   2.437  -5.804
  422   2HG2  THR  52          2HG2      THR  52  -8.005   2.730  -6.624
  423   3HG2  THR  52          3HG2      THR  52  -9.029   4.088  -6.162
  424    H    MET  53           H        MET  53  -6.327   1.371  -2.898
  425    HA   MET  53           HA       MET  53  -6.397  -1.052  -4.341
  426   1HB   MET  53          2HB       MET  53  -4.330  -1.623  -3.217
  427   2HB   MET  53          1HB       MET  53  -4.300   0.069  -3.687
  428   1HG   MET  53          2HG       MET  53  -5.019   0.595  -1.317
  429   2HG   MET  53          1HG       MET  53  -4.659  -1.088  -0.943
  430   1HE   MET  53          1HE       MET  53  -1.280  -1.686  -0.837
  431   2HE   MET  53          2HE       MET  53  -1.302  -1.371  -2.572
  432   3HE   MET  53          3HE       MET  53  -2.668  -2.181  -1.806
  433    H    LYS  54           H        LYS  54  -7.069  -0.320  -0.932
  434    HA   LYS  54           HA       LYS  54  -7.331  -2.946   0.002
  435   1HB   LYS  54          2HB       LYS  54  -7.221  -0.969   1.468
  436   2HB   LYS  54          1HB       LYS  54  -8.820  -0.483   0.925
  437   1HG   LYS  54          2HG       LYS  54  -9.687  -2.647   1.846
  438   2HG   LYS  54          1HG       LYS  54  -8.090  -2.904   2.551
  439   1HD   LYS  54          2HD       LYS  54  -8.556  -1.548   4.254
  440   2HD   LYS  54          1HD       LYS  54  -9.045  -0.256   3.156
  441   1HE   LYS  54          2HE       LYS  54 -11.268  -1.289   2.961
  442   2HE   LYS  54          1HE       LYS  54 -10.772  -2.541   4.100
  443   1HZ   LYS  54          1HZ       LYS  54 -10.973   0.368   4.667
  444   2HZ   LYS  54          2HZ       LYS  54 -10.412  -0.794   5.761
  445   3HZ   LYS  54          3HZ       LYS  54 -12.017  -0.838   5.231
  446    H    GLU  55           H        GLU  55  -9.719  -0.784  -1.493
  447    HA   GLU  55           HA       GLU  55 -11.963  -2.466  -1.174
  448   1HB   GLU  55          2HB       GLU  55 -12.121  -0.073  -1.766
  449   2HB   GLU  55          1HB       GLU  55 -11.420  -0.420  -3.339
  450   1HG   GLU  55          2HG       GLU  55 -13.363  -1.113  -4.181
  451   2HG   GLU  55          1HG       GLU  55 -13.764  -2.045  -2.740
  452    H    LYS  56           H        LYS  56  -9.520  -2.196  -3.705
  453    HA   LYS  56           HA       LYS  56 -10.702  -4.025  -5.516
  454   1HB   LYS  56          2HB       LYS  56  -7.781  -3.304  -5.226
  455   2HB   LYS  56          1HB       LYS  56  -8.539  -4.038  -6.632
  456   1HG   LYS  56          2HG       LYS  56  -9.573  -1.422  -5.672
  457   2HG   LYS  56          1HG       LYS  56  -8.031  -1.464  -6.530
  458   1HD   LYS  56          2HD       LYS  56  -9.256  -2.816  -8.313
  459   2HD   LYS  56          1HD       LYS  56 -10.744  -2.309  -7.509
  460   1HE   LYS  56          2HE       LYS  56  -9.990   0.056  -7.775
  461   2HE   LYS  56          1HE       LYS  56  -8.640  -0.537  -8.743
  462   1HZ   LYS  56          1HZ       LYS  56 -10.096  -0.159 -10.404
  463   2HZ   LYS  56          2HZ       LYS  56 -11.461  -0.329  -9.421
  464   3HZ   LYS  56          3HZ       LYS  56 -10.660  -1.702  -9.999
  465    H    ILE  57           H        ILE  57  -8.396  -4.395  -2.851
  466    HA   ILE  57           HA       ILE  57  -7.640  -7.052  -3.329
  467    HB   ILE  57           HB       ILE  57  -7.897  -5.625  -0.674
  468   1HG1  ILE  57          2HG1      ILE  57  -5.286  -6.211  -1.994
  469   2HG1  ILE  57          1HG1      ILE  57  -6.252  -4.892  -2.643
  470   1HG2  ILE  57          1HG2      ILE  57  -6.935  -8.337  -1.405
  471   2HG2  ILE  57          2HG2      ILE  57  -7.750  -7.779   0.056
  472   3HG2  ILE  57          3HG2      ILE  57  -6.033  -7.448  -0.176
  473   1HD1  ILE  57          1HD1      ILE  57  -5.610  -3.547  -1.010
  474   2HD1  ILE  57          2HD1      ILE  57  -4.485  -4.804  -0.498
  475   3HD1  ILE  57          3HD1      ILE  57  -6.093  -4.713   0.221
  476    H    LYS  58           H        LYS  58 -10.412  -5.700  -1.585
  477    HA   LYS  58           HA       LYS  58 -11.414  -8.076  -0.491
  478   1HB   LYS  58          2HB       LYS  58 -12.133  -5.660  -0.040
  479   2HB   LYS  58          1HB       LYS  58 -13.149  -5.816  -1.465
  480   1HG   LYS  58          2HG       LYS  58 -14.679  -6.424   0.071
  481   2HG   LYS  58          1HG       LYS  58 -13.931  -8.007  -0.147
  482   1HD   LYS  58          2HD       LYS  58 -12.937  -7.968   1.896
  483   2HD   LYS  58          1HD       LYS  58 -12.684  -6.222   1.858
  484   1HE   LYS  58          2HE       LYS  58 -14.280  -6.804   3.590
  485   2HE   LYS  58          1HE       LYS  58 -15.070  -5.877   2.316
  486   1HZ   LYS  58          1HZ       LYS  58 -16.301  -7.650   1.658
  487   2HZ   LYS  58          2HZ       LYS  58 -16.117  -8.074   3.285
  488   3HZ   LYS  58          3HZ       LYS  58 -15.138  -8.795   2.109
  489    H    ASN  59           H        ASN  59 -11.462  -6.919  -3.769
  490    HA   ASN  59           HA       ASN  59 -13.472  -8.909  -4.547
  491   1HB   ASN  59          2HB       ASN  59 -12.377  -6.426  -5.801
  492   2HB   ASN  59          1HB       ASN  59 -13.031  -7.682  -6.843
  493   1HD2  ASN  59          1HD2      ASN  59 -13.781  -4.921  -5.240
  494   2HD2  ASN  59          2HD2      ASN  59 -15.490  -5.129  -5.088
  495    H    ASN  60           H        ASN  60 -10.564  -9.420  -3.789
  496    HA   ASN  60           HA       ASN  60  -8.879 -10.797  -4.400
  497   1HB   ASN  60          2HB       ASN  60 -11.204 -11.907  -5.557
  498   2HB   ASN  60          1HB       ASN  60  -9.940 -12.013  -6.780
  499   1HD2  ASN  60          1HD2      ASN  60 -10.215 -12.423  -3.261
  500   2HD2  ASN  60          2HD2      ASN  60  -9.344 -13.912  -3.197
  501    H    ASP  61           H        ASP  61  -9.271  -8.102  -5.700
  502    HA   ASP  61           HA       ASP  61  -8.154  -8.303  -8.327
  503   1HB   ASP  61          2HB       ASP  61  -9.543  -6.374  -7.319
  504   2HB   ASP  61          1HB       ASP  61  -8.030  -5.853  -6.582
  505    H    TYR  62           H        TYR  62  -6.894  -7.761  -5.083
  506    HA   TYR  62           HA       TYR  62  -4.167  -8.064  -6.151
  507   1HB   TYR  62          2HB       TYR  62  -5.039  -6.339  -3.820
  508   2HB   TYR  62          1HB       TYR  62  -3.371  -6.604  -4.316
  509    HD1  TYR  62           2HD      TYR  62  -2.839  -5.995  -6.819
  510    HD2  TYR  62           1HD      TYR  62  -6.166  -4.492  -4.632
  511    HE1  TYR  62           2HE      TYR  62  -3.021  -4.117  -8.395
  512    HE2  TYR  62           1HE      TYR  62  -6.351  -2.605  -6.194
  513    HH   TYR  62           HH       TYR  62  -5.657  -1.767  -8.176
  514    H    GLN  63           H        GLN  63  -3.531 -10.032  -5.633
  515    HA   GLN  63           HA       GLN  63  -3.657 -10.904  -2.861
  516   1HB   GLN  63          2HB       GLN  63  -5.682 -11.818  -3.972
  517   2HB   GLN  63          1HB       GLN  63  -4.651 -12.608  -5.155
  518   1HG   GLN  63          2HG       GLN  63  -3.836 -13.313  -2.492
  519   2HG   GLN  63          1HG       GLN  63  -5.556 -13.630  -2.721
  520   1HE2  GLN  63          1HE2      GLN  63  -5.716 -14.375  -5.309
  521   2HE2  GLN  63          2HE2      GLN  63  -4.807 -15.819  -5.583
  522    H    SER  64           H        SER  64  -1.691 -10.015  -4.985
  523    HA   SER  64           HA       SER  64   0.158 -12.271  -4.696
  524   1HB   SER  64          2HB       SER  64  -0.549 -12.170  -7.035
  525   2HB   SER  64          1HB       SER  64  -0.120 -10.461  -7.112
  526    HG   SER  64           HG       SER  64   1.438 -12.544  -7.571
  527    H    ILE  65           H        ILE  65   2.151 -11.766  -4.067
  528    HA   ILE  65           HA       ILE  65   2.656  -9.456  -2.630
  529    HB   ILE  65           HB       ILE  65   5.066 -10.127  -2.718
  530   1HG1  ILE  65          2HG1      ILE  65   5.080 -12.684  -3.652
  531   2HG1  ILE  65          1HG1      ILE  65   4.000 -11.914  -4.807
  532   1HG2  ILE  65          1HG2      ILE  65   4.604 -12.398  -1.599
  533   2HG2  ILE  65          2HG2      ILE  65   2.908 -12.006  -1.875
  534   3HG2  ILE  65          3HG2      ILE  65   3.908 -10.942  -0.888
  535   1HD1  ILE  65          1HD1      ILE  65   6.895 -11.461  -4.320
  536   2HD1  ILE  65          2HD1      ILE  65   5.914 -10.127  -4.922
  537   3HD1  ILE  65          3HD1      ILE  65   6.014 -11.630  -5.838
  538    H    GLU  66           H        GLU  66   3.512 -10.253  -5.975
  539    HA   GLU  66           HA       GLU  66   5.056  -7.912  -6.440
  540   1HB   GLU  66          2HB       GLU  66   5.092 -10.081  -7.774
  541   2HB   GLU  66          1HB       GLU  66   3.613  -9.522  -8.541
  542   1HG   GLU  66          2HG       GLU  66   5.055  -8.710 -10.061
  543   2HG   GLU  66          1HG       GLU  66   5.144  -7.363  -8.928
  544    H    GLU  67           H        GLU  67   1.647  -8.722  -6.959
  545    HA   GLU  67           HA       GLU  67   0.980  -6.324  -8.344
  546   1HB   GLU  67          2HB       GLU  67  -0.595  -8.482  -6.970
  547   2HB   GLU  67          1HB       GLU  67  -1.397  -7.021  -7.533
  548   1HG   GLU  67          2HG       GLU  67   0.345  -8.428  -9.465
  549   2HG   GLU  67          1HG       GLU  67  -1.168  -9.215  -9.019
  550    H    LEU  68           H        LEU  68   0.626  -7.397  -5.000
  551    HA   LEU  68           HA       LEU  68  -0.573  -5.052  -3.997
  552   1HB   LEU  68          2HB       LEU  68  -0.513  -7.332  -2.932
  553   2HB   LEU  68          1HB       LEU  68   1.153  -7.011  -2.495
  554    HG   LEU  68           HG       LEU  68  -0.028  -4.831  -1.431
  555   1HD1  LEU  68          1HD1      LEU  68  -2.021  -6.241  -0.210
  556   2HD1  LEU  68          2HD1      LEU  68  -2.141  -6.803  -1.880
  557   3HD1  LEU  68          3HD1      LEU  68  -2.251  -5.080  -1.518
  558   1HD2  LEU  68          1HD2      LEU  68   1.234  -5.825   0.123
  559   2HD2  LEU  68          2HD2      LEU  68   0.878  -7.441  -0.485
  560   3HD2  LEU  68          3HD2      LEU  68  -0.250  -6.640   0.610
  561    H    LYS  69           H        LYS  69   2.792  -6.062  -4.337
  562    HA   LYS  69           HA       LYS  69   3.922  -3.938  -2.829
  563   1HB   LYS  69          2HB       LYS  69   4.956  -5.976  -4.737
  564   2HB   LYS  69          1HB       LYS  69   5.962  -4.567  -4.435
  565   1HG   LYS  69          2HG       LYS  69   5.640  -5.110  -1.949
  566   2HG   LYS  69          1HG       LYS  69   5.069  -6.681  -2.511
  567   1HD   LYS  69          2HD       LYS  69   7.363  -6.401  -3.949
  568   2HD   LYS  69          1HD       LYS  69   7.786  -5.569  -2.450
  569   1HE   LYS  69          2HE       LYS  69   7.269  -7.509  -1.149
  570   2HE   LYS  69          1HE       LYS  69   6.585  -8.330  -2.551
  571   1HZ   LYS  69          1HZ       LYS  69   9.364  -7.457  -2.751
  572   2HZ   LYS  69          2HZ       LYS  69   8.621  -8.853  -3.352
  573   3HZ   LYS  69          3HZ       LYS  69   9.046  -8.758  -1.717
  574    H    ASP  70           H        ASP  70   3.418  -4.395  -6.323
  575    HA   ASP  70           HA       ASP  70   4.590  -1.999  -7.173
  576   1HB   ASP  70          2HB       ASP  70   3.585  -4.094  -8.493
  577   2HB   ASP  70          1HB       ASP  70   2.202  -3.015  -8.642
  578    H    ASN  71           H        ASN  71   1.275  -2.712  -6.141
  579    HA   ASN  71           HA       ASN  71   0.223  -0.153  -6.763
  580   1HB   ASN  71          2HB       ASN  71  -0.699  -2.556  -5.313
  581   2HB   ASN  71          1HB       ASN  71  -1.444  -1.040  -4.815
  582   1HD2  ASN  71          1HD2      ASN  71  -3.120  -0.356  -5.941
  583   2HD2  ASN  71          2HD2      ASN  71  -3.563  -0.899  -7.521
  584    H    PHE  72           H        PHE  72   1.331  -1.560  -3.658
  585    HA   PHE  72           HA       PHE  72   0.840   0.755  -2.116
  586   1HB   PHE  72          2HB       PHE  72   1.343  -1.643  -1.299
  587   2HB   PHE  72          1HB       PHE  72   3.039  -1.212  -1.489
  588    HD1  PHE  72           2HD      PHE  72   4.054   0.500  -0.048
  589    HD2  PHE  72           1HD      PHE  72   0.018  -0.745   0.492
  590    HE1  PHE  72           2HE      PHE  72   4.032   1.545   2.181
  591    HE2  PHE  72           1HE      PHE  72  -0.007   0.302   2.717
  592    HZ   PHE  72           HZ       PHE  72   1.999   1.445   3.565
  593    H    LYS  73           H        LYS  73   3.752  -0.414  -3.765
  594    HA   LYS  73           HA       LYS  73   5.426   1.718  -2.956
  595   1HB   LYS  73          2HB       LYS  73   5.989  -0.623  -4.006
  596   2HB   LYS  73          1HB       LYS  73   5.866   0.248  -5.529
  597   1HG   LYS  73          2HG       LYS  73   7.548   1.887  -4.546
  598   2HG   LYS  73          1HG       LYS  73   7.804   0.685  -3.279
  599   1HD   LYS  73          2HD       LYS  73   8.131  -0.951  -5.281
  600   2HD   LYS  73          1HD       LYS  73   8.428   0.525  -6.201
  601   1HE   LYS  73          2HE       LYS  73  10.450   0.815  -5.285
  602   2HE   LYS  73          1HE       LYS  73   9.864   0.441  -3.665
  603   1HZ   LYS  73          1HZ       LYS  73  10.422  -1.727  -3.864
  604   2HZ   LYS  73          2HZ       LYS  73  11.553  -1.113  -4.960
  605   3HZ   LYS  73          3HZ       LYS  73  10.111  -1.793  -5.526
  606    H    LEU  74           H        LEU  74   3.271   1.269  -5.730
  607    HA   LEU  74           HA       LEU  74   4.166   3.414  -7.298
  608   1HB   LEU  74          2HB       LEU  74   1.670   1.826  -7.121
  609   2HB   LEU  74          1HB       LEU  74   1.539   3.391  -7.902
  610    HG   LEU  74           HG       LEU  74   3.599   1.362  -8.738
  611   1HD1  LEU  74          1HD1      LEU  74   1.041   0.697  -8.846
  612   2HD1  LEU  74          2HD1      LEU  74   2.161   0.310 -10.151
  613   3HD1  LEU  74          3HD1      LEU  74   1.095   1.707 -10.292
  614   1HD2  LEU  74          1HD2      LEU  74   3.640   2.638 -10.790
  615   2HD2  LEU  74          2HD2      LEU  74   3.925   3.713  -9.420
  616   3HD2  LEU  74          3HD2      LEU  74   2.345   3.682 -10.203
  617    H    MET  75           H        MET  75   1.664   3.325  -4.754
  618    HA   MET  75           HA       MET  75   0.928   6.046  -5.025
  619   1HB   MET  75          2HB       MET  75  -0.301   4.141  -3.767
  620   2HB   MET  75          1HB       MET  75   0.748   4.561  -2.421
  621   1HG   MET  75          2HG       MET  75  -0.894   6.652  -3.803
  622   2HG   MET  75          1HG       MET  75  -1.591   5.623  -2.552
  623   1HE   MET  75          1HE       MET  75  -0.299   5.274  -0.210
  624   2HE   MET  75          2HE       MET  75   0.793   6.469   0.492
  625   3HE   MET  75          3HE       MET  75   1.367   5.391  -0.780
  626    H    CYS  76           H        CYS  76   3.312   4.389  -3.000
  627    HA   CYS  76           HA       CYS  76   4.071   6.606  -1.446
  628   1HB   CYS  76          2HB       CYS  76   5.283   3.970  -2.115
  629   2HB   CYS  76          1HB       CYS  76   6.344   5.201  -1.442
  630    HG   CYS  76           HG       CYS  76   4.997   5.167   0.732
  631    H    THR  77           H        THR  77   5.379   5.338  -4.511
  632    HA   THR  77           HA       THR  77   7.397   7.338  -4.734
  633    HB   THR  77           HB       THR  77   6.250   5.813  -7.064
  634    HG1  THR  77           1HG      THR  77   7.957   4.858  -5.020
  635   1HG2  THR  77          1HG2      THR  77   7.945   6.742  -8.129
  636   2HG2  THR  77          2HG2      THR  77   9.024   5.775  -7.123
  637   3HG2  THR  77          3HG2      THR  77   8.595   7.417  -6.637
  638    H    ASN  78           H        ASN  78   4.225   6.919  -6.314
  639    HA   ASN  78           HA       ASN  78   4.290   9.237  -7.876
  640   1HB   ASN  78          2HB       ASN  78   1.896   7.807  -6.696
  641   2HB   ASN  78          1HB       ASN  78   1.838   8.986  -7.994
  642   1HD2  ASN  78          1HD2      ASN  78   0.688   6.974  -8.871
  643   2HD2  ASN  78          2HD2      ASN  78   1.662   5.880  -9.776
  644    H    ALA  79           H        ALA  79   3.101   8.699  -4.572
  645    HA   ALA  79           HA       ALA  79   2.066  11.324  -4.214
  646   1HB   ALA  79          1HB       ALA  79   1.267   9.541  -2.811
  647   2HB   ALA  79          2HB       ALA  79   2.065  10.741  -1.796
  648   3HB   ALA  79          3HB       ALA  79   2.892   9.236  -2.198
  649    H    MET  80           H        MET  80   5.172   9.793  -3.453
  650    HA   MET  80           HA       MET  80   6.292  11.976  -2.054
  651   1HB   MET  80          2HB       MET  80   7.339   9.502  -3.329
  652   2HB   MET  80          1HB       MET  80   8.494  10.788  -3.014
  653   1HG   MET  80          2HG       MET  80   7.123  10.629  -0.649
  654   2HG   MET  80          1HG       MET  80   7.185   8.950  -1.175
  655   1HE   MET  80          1HE       MET  80  10.423   9.893  -2.815
  656   2HE   MET  80          2HE       MET  80   9.481   8.415  -2.618
  657   3HE   MET  80          3HE       MET  80  11.048   8.574  -1.824
  658    H    ILE  81           H        ILE  81   6.588  10.985  -5.473
  659    HA   ILE  81           HA       ILE  81   8.302  13.040  -6.274
  660    HB   ILE  81           HB       ILE  81   7.800  11.062  -7.663
  661   1HG1  ILE  81          2HG1      ILE  81   7.537  12.379  -9.859
  662   2HG1  ILE  81          1HG1      ILE  81   7.463  13.813  -8.839
  663   1HG2  ILE  81          1HG2      ILE  81   5.453  10.812  -7.430
  664   2HG2  ILE  81          2HG2      ILE  81   5.766  11.160  -9.128
  665   3HG2  ILE  81          3HG2      ILE  81   5.149  12.426  -8.069
  666   1HD1  ILE  81          1HD1      ILE  81   9.726  11.964  -8.395
  667   2HD1  ILE  81          2HD1      ILE  81   9.664  13.726  -8.328
  668   3HD1  ILE  81          3HD1      ILE  81   9.723  12.904  -9.887
  669    H    TYR  82           H        TYR  82   4.775  13.009  -5.947
  670    HA   TYR  82           HA       TYR  82   4.686  15.792  -6.872
  671   1HB   TYR  82          2HB       TYR  82   3.045  13.904  -7.663
  672   2HB   TYR  82          1HB       TYR  82   2.227  14.233  -6.138
  673    HD1  TYR  82           1HD      TYR  82   3.916  16.713  -8.340
  674    HD2  TYR  82           2HD      TYR  82   0.211  15.191  -6.896
  675    HE1  TYR  82           1HE      TYR  82   2.740  18.605  -9.377
  676    HE2  TYR  82           2HE      TYR  82  -0.971  17.079  -7.932
  677    HH   TYR  82           HH       TYR  82  -0.315  18.714 -10.080
  678    H    ASN  83           H        ASN  83   5.873  15.145  -4.332
  679    HA   ASN  83           HA       ASN  83   4.555  17.071  -2.720
  680   1HB   ASN  83          2HB       ASN  83   3.364  14.662  -2.422
  681   2HB   ASN  83          1HB       ASN  83   4.644  14.514  -1.223
  682   1HD2  ASN  83          1HD2      ASN  83   4.881  16.912  -0.113
  683   2HD2  ASN  83          2HD2      ASN  83   3.398  17.430   0.605
  684    H    LYS  84           H        LYS  84   6.641  17.961  -2.841
  685    HA   LYS  84           HA       LYS  84   8.996  16.623  -2.030
  686   1HB   LYS  84          2HB       LYS  84   8.207  19.463  -2.508
  687   2HB   LYS  84          1HB       LYS  84   9.700  19.162  -1.631
  688   1HG   LYS  84          2HG       LYS  84  10.782  18.686  -3.506
  689   2HG   LYS  84          1HG       LYS  84   9.560  17.504  -3.977
  690   1HD   LYS  84          2HD       LYS  84   8.881  20.382  -4.273
  691   2HD   LYS  84          1HD       LYS  84  10.044  19.693  -5.408
  692   1HE   LYS  84          2HE       LYS  84   7.458  18.290  -4.866
  693   2HE   LYS  84          1HE       LYS  84   7.504  19.658  -5.977
  694   1HZ   LYS  84          1HZ       LYS  84   9.397  18.385  -7.095
  695   2HZ   LYS  84          2HZ       LYS  84   7.823  17.808  -7.325
  696   3HZ   LYS  84          3HZ       LYS  84   8.851  17.039  -6.224
  697    HA   PRO  85           HA       PRO  85   8.999  16.759   2.377
  698   1HB   PRO  85          2HB       PRO  85  11.400  17.922   3.018
  699   2HB   PRO  85          1HB       PRO  85  11.225  16.247   2.486
  700   1HG   PRO  85          2HG       PRO  85  12.014  18.666   0.913
  701   2HG   PRO  85          1HG       PRO  85  12.691  17.027   0.861
  702   1HD   PRO  85          2HD       PRO  85  10.976  17.914  -1.010
  703   2HD   PRO  85          1HD       PRO  85  10.968  16.226  -0.463
  704    H    GLU  86           H        GLU  86   7.244  18.415   2.105
  705    HA   GLU  86           HA       GLU  86   7.932  21.170   2.644
  706   1HB   GLU  86          2HB       GLU  86   5.515  19.656   1.912
  707   2HB   GLU  86          1HB       GLU  86   5.223  21.014   2.990
  708   1HG   GLU  86          2HG       GLU  86   6.114  22.556   1.436
  709   2HG   GLU  86          1HG       GLU  86   6.777  21.267   0.432
  710    H    THR  87           H        THR  87   5.848  18.802   4.324
  711    HA   THR  87           HA       THR  87   6.820  19.865   6.879
  712    HB   THR  87           HB       THR  87   4.219  19.261   7.484
  713    HG1  THR  87           1HG      THR  87   3.700  19.062   5.253
  714   1HG2  THR  87          1HG2      THR  87   5.662  21.777   6.927
  715   2HG2  THR  87          2HG2      THR  87   4.826  21.238   8.382
  716   3HG2  THR  87          3HG2      THR  87   3.903  21.856   7.013
  717    H    ILE  88           H        ILE  88   4.234  17.502   6.369
  718    HA   ILE  88           HA       ILE  88   6.049  15.413   7.376
  719    HB   ILE  88           HB       ILE  88   3.121  15.618   8.087
  720   1HG1  ILE  88          2HG1      ILE  88   5.344  16.132  10.037
  721   2HG1  ILE  88          1HG1      ILE  88   4.784  17.438   8.999
  722   1HG2  ILE  88          1HG2      ILE  88   3.535  13.437   8.493
  723   2HG2  ILE  88          2HG2      ILE  88   4.241  14.068   9.979
  724   3HG2  ILE  88          3HG2      ILE  88   5.278  13.677   8.608
  725   1HD1  ILE  88          1HD1      ILE  88   2.974  17.766  10.236
  726   2HD1  ILE  88          2HD1      ILE  88   3.750  16.745  11.443
  727   3HD1  ILE  88          3HD1      ILE  88   2.600  16.045  10.305
  728    H    TYR  89           H        TYR  89   4.193  16.340   4.777
  729    HA   TYR  89           HA       TYR  89   2.847  13.970   4.071
  730   1HB   TYR  89          2HB       TYR  89   3.956  16.149   2.289
  731   2HB   TYR  89          1HB       TYR  89   2.813  14.910   1.782
  732    HD1  TYR  89           2HD      TYR  89   0.511  14.886   2.796
  733    HD2  TYR  89           1HD      TYR  89   3.227  18.108   3.388
  734    HE1  TYR  89           2HE      TYR  89  -1.357  16.327   3.488
  735    HE2  TYR  89           1HE      TYR  89   1.369  19.556   4.081
  736    HH   TYR  89           HH       TYR  89  -1.126  19.656   3.707
  737    H    TYR  90           H        TYR  90   6.080  15.181   3.172
  738    HA   TYR  90           HA       TYR  90   6.761  12.987   1.519
  739   1HB   TYR  90          2HB       TYR  90   7.925  15.212   1.527
  740   2HB   TYR  90          1HB       TYR  90   8.674  14.760   3.053
  741    HD1  TYR  90           1HD      TYR  90  10.284  12.845   3.111
  742    HD2  TYR  90           2HD      TYR  90   8.769  14.405  -0.546
  743    HE1  TYR  90           1HE      TYR  90  12.113  11.747   1.891
  744    HE2  TYR  90           2HE      TYR  90  10.591  13.309  -1.777
  745    HH   TYR  90           HH       TYR  90  13.180  12.485  -0.886
  746    H    LYS  91           H        LYS  91   7.514  13.709   4.920
  747    HA   LYS  91           HA       LYS  91   8.990  11.363   5.427
  748   1HB   LYS  91          2HB       LYS  91   8.973  13.442   6.839
  749   2HB   LYS  91          1HB       LYS  91   7.393  12.953   7.438
  750   1HG   LYS  91          2HG       LYS  91   8.739  10.713   7.967
  751   2HG   LYS  91          1HG       LYS  91  10.076  11.865   8.041
  752   1HD   LYS  91          2HD       LYS  91   8.913  13.175   9.699
  753   2HD   LYS  91          1HD       LYS  91   7.485  12.148   9.559
  754   1HE   LYS  91          2HE       LYS  91   8.510  10.361  10.631
  755   2HE   LYS  91          1HE       LYS  91  10.132  10.971  10.308
  756   1HZ   LYS  91          1HZ       LYS  91   9.404  12.903  11.828
  757   2HZ   LYS  91          2HZ       LYS  91   9.840  11.432  12.536
  758   3HZ   LYS  91          3HZ       LYS  91   8.207  11.834  12.365
  759    H    ALA  92           H        ALA  92   5.535  12.104   5.772
  760    HA   ALA  92           HA       ALA  92   4.733   9.795   7.129
  761   1HB   ALA  92          1HB       ALA  92   3.215  11.462   5.123
  762   2HB   ALA  92          2HB       ALA  92   3.219  11.649   6.877
  763   3HB   ALA  92          3HB       ALA  92   2.490  10.220   6.144
  764    H    ALA  93           H        ALA  93   5.077  10.401   3.648
  765    HA   ALA  93           HA       ALA  93   4.116   7.885   2.782
  766   1HB   ALA  93          1HB       ALA  93   5.852   9.963   1.473
  767   2HB   ALA  93          2HB       ALA  93   4.150   9.611   1.176
  768   3HB   ALA  93          3HB       ALA  93   5.391   8.468   0.658
  769    H    LYS  94           H        LYS  94   7.409   9.096   3.393
  770    HA   LYS  94           HA       LYS  94   8.760   6.742   2.623
  771   1HB   LYS  94          2HB       LYS  94   9.522   9.264   3.389
  772   2HB   LYS  94          1HB       LYS  94  10.048   8.291   4.756
  773   1HG   LYS  94          2HG       LYS  94  11.622   7.181   3.540
  774   2HG   LYS  94          1HG       LYS  94  10.723   7.333   2.028
  775   1HD   LYS  94          2HD       LYS  94  11.247   9.794   2.092
  776   2HD   LYS  94          1HD       LYS  94  12.339   9.452   3.437
  777   1HE   LYS  94          2HE       LYS  94  12.642   7.825   0.973
  778   2HE   LYS  94          1HE       LYS  94  13.154   9.510   0.900
  779   1HZ   LYS  94          1HZ       LYS  94  14.371   8.884   3.102
  780   2HZ   LYS  94          2HZ       LYS  94  15.058   8.488   1.609
  781   3HZ   LYS  94          3HZ       LYS  94  14.246   7.305   2.503
  782    H    LYS  95           H        LYS  95   7.610   7.865   5.795
  783    HA   LYS  95           HA       LYS  95   8.662   5.767   7.335
  784   1HB   LYS  95          2HB       LYS  95   6.440   7.732   7.699
  785   2HB   LYS  95          1HB       LYS  95   6.545   6.374   8.808
  786   1HG   LYS  95          2HG       LYS  95   9.134   7.392   8.686
  787   2HG   LYS  95          1HG       LYS  95   8.084   8.808   8.724
  788   1HD   LYS  95          2HD       LYS  95   7.247   8.302  10.804
  789   2HD   LYS  95          1HD       LYS  95   7.543   6.573  10.621
  790   1HE   LYS  95          2HE       LYS  95   9.716   6.733  11.295
  791   2HE   LYS  95          1HE       LYS  95   9.902   8.370  10.670
  792   1HZ   LYS  95          1HZ       LYS  95   8.304   7.700  13.080
  793   2HZ   LYS  95          2HZ       LYS  95   8.732   9.241  12.533
  794   3HZ   LYS  95          3HZ       LYS  95   9.918   8.198  13.133
  795    H    LEU  96           H        LEU  96   5.434   6.144   5.868
  796    HA   LEU  96           HA       LEU  96   4.438   3.644   6.713
  797   1HB   LEU  96          2HB       LEU  96   3.364   5.826   5.502
  798   2HB   LEU  96          1HB       LEU  96   3.412   4.698   4.161
  799    HG   LEU  96           HG       LEU  96   2.054   3.105   5.401
  800   1HD1  LEU  96          1HD1      LEU  96   2.421   3.214   7.635
  801   2HD1  LEU  96          2HD1      LEU  96   0.991   4.243   7.570
  802   3HD1  LEU  96          3HD1      LEU  96   2.597   4.967   7.637
  803   1HD2  LEU  96          1HD2      LEU  96   0.065   4.158   5.035
  804   2HD2  LEU  96          2HD2      LEU  96   1.142   5.259   4.176
  805   3HD2  LEU  96          3HD2      LEU  96   0.586   5.657   5.801
  806    H    LEU  97           H        LEU  97   6.393   4.601   3.962
  807    HA   LEU  97           HA       LEU  97   6.033   2.327   2.346
  808   1HB   LEU  97          2HB       LEU  97   7.340   4.612   1.974
  809   2HB   LEU  97          1HB       LEU  97   8.707   3.647   2.493
  810    HG   LEU  97           HG       LEU  97   6.921   2.808   0.216
  811   1HD1  LEU  97          1HD1      LEU  97   8.134   3.996  -1.305
  812   2HD1  LEU  97          2HD1      LEU  97   9.570   4.056  -0.282
  813   3HD1  LEU  97          3HD1      LEU  97   8.200   5.114   0.058
  814   1HD2  LEU  97          1HD2      LEU  97   9.305   1.758  -0.323
  815   2HD2  LEU  97          2HD2      LEU  97   8.127   0.944   0.704
  816   3HD2  LEU  97          3HD2      LEU  97   9.452   1.853   1.431
  817    H    HIS  98           H        HIS  98   8.320   3.026   4.959
  818    HA   HIS  98           HA       HIS  98   9.779   0.609   4.773
  819   1HB   HIS  98          2HB       HIS  98   9.438   2.651   6.960
  820   2HB   HIS  98          1HB       HIS  98  10.395   1.193   7.206
  821    HD1  HIS  98           1HD      HIS  98  10.258   3.967   4.585
  822    HD2  HIS  98           2HD      HIS  98  12.997   1.634   6.668
  823    HE1  HIS  98           1HE      HIS  98  12.523   4.756   3.834
  824    HE2  HIS  98           2HE      HIS  98  14.163   3.284   5.053
  825    H    SER  99           H        SER  99   6.996   1.588   6.761
  826    HA   SER  99           HA       SER  99   6.838  -0.822   8.238
  827   1HB   SER  99          2HB       SER  99   4.607  -0.068   8.907
  828   2HB   SER  99          1HB       SER  99   5.754   1.265   8.991
  829    HG   SER  99           HG       SER  99   3.543   1.471   7.865
  830    H    GLY 100           H        GLY 100   5.352   0.253   5.213
  831   1HA   GLY 100          2HA       GLY 100   3.643  -1.999   4.894
  832   2HA   GLY 100          1HA       GLY 100   4.131  -0.880   3.627
  833    H    MET 101           H        MET 101   6.992  -1.371   4.010
  834    HA   MET 101           HA       MET 101   7.268  -3.581   2.244
  835   1HB   MET 101          2HB       MET 101   9.136  -1.698   3.613
  836   2HB   MET 101          1HB       MET 101   9.797  -3.184   2.944
  837   1HG   MET 101          2HG       MET 101   8.515  -2.471   0.799
  838   2HG   MET 101          1HG       MET 101   8.534  -0.875   1.545
  839   1HE   MET 101          1HE       MET 101  11.124   0.433   2.117
  840   2HE   MET 101          2HE       MET 101  12.485  -0.685   2.225
  841   3HE   MET 101          3HE       MET 101  11.032  -0.970   3.184
  842    H    LYS 102           H        LYS 102   7.963  -3.114   5.698
  843    HA   LYS 102           HA       LYS 102   9.116  -5.671   6.088
  844   1HB   LYS 102          2HB       LYS 102   8.745  -5.240   8.511
  845   2HB   LYS 102          1HB       LYS 102   9.592  -3.943   7.679
  846   1HG   LYS 102          2HG       LYS 102   7.687  -2.547   7.715
  847   2HG   LYS 102          1HG       LYS 102   6.634  -3.877   8.203
  848   1HD   LYS 102          2HD       LYS 102   8.176  -4.009  10.278
  849   2HD   LYS 102          1HD       LYS 102   8.656  -2.375   9.816
  850   1HE   LYS 102          2HE       LYS 102   6.090  -1.945   9.711
  851   2HE   LYS 102          1HE       LYS 102   5.990  -3.389  10.718
  852   1HZ   LYS 102          1HZ       LYS 102   6.319  -0.912  11.671
  853   2HZ   LYS 102          2HZ       LYS 102   7.929  -1.420  11.588
  854   3HZ   LYS 102          3HZ       LYS 102   6.808  -2.308  12.490
  855    H    ILE 103           H        ILE 103   5.801  -4.458   6.658
  856    HA   ILE 103           HA       ILE 103   4.781  -6.854   7.706
  857    HB   ILE 103           HB       ILE 103   2.549  -5.954   7.056
  858   1HG1  ILE 103          2HG1      ILE 103   3.065  -3.302   6.476
  859   2HG1  ILE 103          1HG1      ILE 103   4.223  -4.169   5.477
  860   1HG2  ILE 103          1HG2      ILE 103   3.033  -3.718   8.452
  861   2HG2  ILE 103          2HG2      ILE 103   4.514  -4.616   8.786
  862   3HG2  ILE 103          3HG2      ILE 103   2.948  -5.323   9.178
  863   1HD1  ILE 103          1HD1      ILE 103   2.139  -5.599   4.821
  864   2HD1  ILE 103          2HD1      ILE 103   2.428  -4.030   4.069
  865   3HD1  ILE 103          3HD1      ILE 103   1.253  -4.178   5.376
  866    H    LEU 104           H        LEU 104   5.003  -5.660   4.372
  867    HA   LEU 104           HA       LEU 104   3.434  -7.610   3.127
  868   1HB   LEU 104          2HB       LEU 104   5.279  -5.570   2.320
  869   2HB   LEU 104          1HB       LEU 104   5.606  -7.030   1.409
  870    HG   LEU 104           HG       LEU 104   2.760  -6.284   1.563
  871   1HD1  LEU 104          1HD1      LEU 104   3.394  -4.669  -0.467
  872   2HD1  LEU 104          2HD1      LEU 104   4.815  -4.418   0.546
  873   3HD1  LEU 104          3HD1      LEU 104   3.207  -4.098   1.191
  874   1HD2  LEU 104          1HD2      LEU 104   3.233  -8.080   0.163
  875   2HD2  LEU 104          2HD2      LEU 104   4.688  -7.320  -0.486
  876   3HD2  LEU 104          3HD2      LEU 104   3.097  -6.723  -0.956
  877    H    SER 105           H        SER 105   6.871  -7.653   4.008
  878    HA   SER 105           HA       SER 105   7.526 -10.098   2.772
  879   1HB   SER 105          2HB       SER 105   9.088  -8.298   3.794
  880   2HB   SER 105          1HB       SER 105   8.846  -9.166   5.310
  881    HG   SER 105           HG       SER 105   9.744 -10.988   4.392
  882    H    GLN 106           H        GLN 106   6.040  -9.362   5.867
  883    HA   GLN 106           HA       GLN 106   6.395 -11.815   7.160
  884   1HB   GLN 106          2HB       GLN 106   4.771  -9.451   7.520
  885   2HB   GLN 106          1HB       GLN 106   3.850 -10.898   7.904
  886   1HG   GLN 106          2HG       GLN 106   5.715 -11.591   9.410
  887   2HG   GLN 106          1HG       GLN 106   6.459 -10.020   9.115
  888   1HE2  GLN 106          1HE2      GLN 106   5.432  -8.147   9.892
  889   2HE2  GLN 106          2HE2      GLN 106   4.269  -8.222  11.167
  890    H    GLU 107           H        GLU 107   4.141 -10.865   4.647
  891    HA   GLU 107           HA       GLU 107   2.225 -12.866   4.847
  892   1HB   GLU 107          2HB       GLU 107   2.902 -10.862   2.994
  893   2HB   GLU 107          1HB       GLU 107   2.878 -12.363   2.079
  894   1HG   GLU 107          2HG       GLU 107   0.671 -12.384   2.054
  895   2HG   GLU 107          1HG       GLU 107   0.600 -12.255   3.808
  896    H    ARG 108           H        ARG 108   5.402 -12.958   3.270
  897    HA   ARG 108           HA       ARG 108   5.164 -15.887   3.132
  898   1HB   ARG 108          2HB       ARG 108   5.540 -14.020   0.949
  899   2HB   ARG 108          1HB       ARG 108   6.888 -15.144   1.052
  900   1HG   ARG 108          2HG       ARG 108   4.798 -16.842   1.311
  901   2HG   ARG 108          1HG       ARG 108   4.095 -15.601   0.273
  902   1HD   ARG 108          2HD       ARG 108   6.450 -15.904  -0.960
  903   2HD   ARG 108          1HD       ARG 108   6.294 -17.515  -0.264
  904    HE   ARG 108           HE       ARG 108   4.697 -17.973  -1.821
  905   1HH1  ARG 108          1HH1      ARG 108   4.965 -14.495  -1.540
  906   2HH1  ARG 108          2HH1      ARG 108   3.877 -14.179  -2.849
  907   1HH2  ARG 108          1HH2      ARG 108   3.264 -17.551  -3.547
  908   2HH2  ARG 108          2HH2      ARG 108   2.911 -15.917  -3.990
  909    H    LEU 109           H        LEU 109   6.472 -16.453   4.782
  910    HA   LEU 109           HA       LEU 109   9.273 -15.565   4.632
  911   1HB   LEU 109          2HB       LEU 109   9.311 -15.749   7.164
  912   2HB   LEU 109          1HB       LEU 109   8.482 -14.361   6.488
  913    HG   LEU 109           HG       LEU 109   6.380 -16.004   6.751
  914   1HD1  LEU 109          1HD1      LEU 109   7.935 -16.715   9.201
  915   2HD1  LEU 109          2HD1      LEU 109   8.052 -17.712   7.751
  916   3HD1  LEU 109          3HD1      LEU 109   6.490 -17.469   8.530
  917   1HD2  LEU 109          1HD2      LEU 109   6.468 -13.780   7.649
  918   2HD2  LEU 109          2HD2      LEU 109   7.613 -14.280   8.892
  919   3HD2  LEU 109          3HD2      LEU 109   5.956 -14.884   8.922
  920    H    GLU 110           H        GLU 110  10.827 -17.105   5.073
  921    HA   GLU 110           HA       GLU 110  10.001 -19.840   4.776
  922   1HB   GLU 110          2HB       GLU 110  12.425 -18.333   4.435
  923   2HB   GLU 110          1HB       GLU 110  12.751 -19.738   5.441
  924   1HG   GLU 110          2HG       GLU 110  11.800 -21.194   3.735
  925   2HG   GLU 110          1HG       GLU 110  11.442 -19.791   2.730
  926    H    HIS 111           H        HIS 111  10.083 -21.482   6.245
  927    HA   HIS 111           HA       HIS 111  10.980 -20.896   8.968
  928   1HB   HIS 111          2HB       HIS 111   8.245 -20.970   8.189
  929   2HB   HIS 111          1HB       HIS 111   8.557 -22.416   9.141
  930    HD1  HIS 111           1HD      HIS 111   9.726 -18.812   9.586
  931    HD2  HIS 111           2HD      HIS 111   7.784 -21.851  11.653
  932    HE1  HIS 111           1HE      HIS 111   9.289 -17.890  11.887
  933    HE2  HIS 111           2HE      HIS 111   8.222 -19.789  13.152
  934    H    HIS 112           H        HIS 112   9.216 -23.503   7.285
  935    HA   HIS 112           HA       HIS 112  11.455 -25.317   7.838
  936   1HB   HIS 112          2HB       HIS 112   9.723 -25.594   9.617
  937   2HB   HIS 112          1HB       HIS 112   8.562 -26.030   8.368
  938    HD1  HIS 112           1HD      HIS 112   8.272 -28.371   9.463
  939    HD2  HIS 112           2HD      HIS 112  12.117 -27.579   8.098
  940    HE1  HIS 112           1HE      HIS 112   9.456 -30.589   9.466
  941    HE2  HIS 112           2HE      HIS 112  11.736 -30.105   8.507
  942    H    HIS 113           H        HIS 113   8.281 -25.036   6.229
  943    HA   HIS 113           HA       HIS 113   7.566 -25.606   4.149
  944   1HB   HIS 113          2HB       HIS 113  10.532 -25.464   3.709
  945   2HB   HIS 113          1HB       HIS 113   9.494 -26.073   2.429
  946    HD1  HIS 113           1HD      HIS 113   7.137 -24.017   2.911
  947    HD2  HIS 113           2HD      HIS 113  11.165 -23.070   2.525
  948    HE1  HIS 113           1HE      HIS 113   7.194 -21.626   2.138
  949    HE2  HIS 113           2HE      HIS 113   9.639 -21.110   1.806
  950    H    HIS 114           H        HIS 114   7.748 -27.444   2.439
  951    HA   HIS 114           HA       HIS 114   7.565 -29.916   3.877
  952   1HB   HIS 114          2HB       HIS 114   6.572 -28.893   1.429
  953   2HB   HIS 114          1HB       HIS 114   7.518 -30.327   1.038
  954    HD1  HIS 114           1HD      HIS 114   6.704 -32.593   2.073
  955    HD2  HIS 114           2HD      HIS 114   4.169 -29.365   2.723
  956    HE1  HIS 114           1HE      HIS 114   4.525 -33.592   2.834
  957    HE2  HIS 114           2HE      HIS 114   2.992 -31.622   3.182
  958    H    HIS 115           H        HIS 115   9.916 -28.423   1.738
  959    HA   HIS 115           HA       HIS 115  11.452 -30.780   1.261
  960   1HB   HIS 115          2HB       HIS 115  11.793 -27.861   0.770
  961   2HB   HIS 115          1HB       HIS 115  13.249 -28.848   0.794
  962    HD1  HIS 115           1HD      HIS 115  11.744 -27.388  -1.716
  963    HD2  HIS 115           2HD      HIS 115  11.927 -31.445  -0.834
  964    HE1  HIS 115           1HE      HIS 115  11.353 -28.570  -3.903
  965    HE2  HIS 115           2HE      HIS 115  11.556 -31.022  -3.358
  966    H    HIS 116           H        HIS 116  13.882 -30.732   1.891
  967    HA   HIS 116           HA       HIS 116  13.987 -30.442   4.803
  968   1HB   HIS 116          2HB       HIS 116  16.119 -31.842   4.535
  969   2HB   HIS 116          1HB       HIS 116  14.584 -32.643   4.225
  970    HD1  HIS 116           1HD      HIS 116  16.977 -30.652   2.016
  971    HD2  HIS 116           2HD      HIS 116  14.896 -34.248   2.080
  972    HE1  HIS 116           1HE      HIS 116  17.521 -31.783  -0.163
  973    HE2  HIS 116           2HE      HIS 116  16.176 -33.912  -0.144
  Start of MODEL   11
    1   1H    MET   0          1HT       MET   0 -13.058 -25.389 -11.647
    2   2H    MET   0          2HT       MET   0 -13.596 -24.127 -12.676
    3   3H    MET   0          3HT       MET   0 -13.927 -24.068 -10.992
    4    HA   MET   0           HA       MET   0 -11.223 -24.058 -12.156
    5   1HB   MET   0          2HB       MET   0 -13.051 -21.804 -11.301
    6   2HB   MET   0          1HB       MET   0 -11.314 -21.608 -11.488
    7   1HG   MET   0          2HG       MET   0 -11.963 -22.713 -13.872
    8   2HG   MET   0          1HG       MET   0 -13.425 -21.796 -13.513
    9   1HE   MET   0          1HE       MET   0 -10.709 -21.009 -15.976
   10   2HE   MET   0          2HE       MET   0 -10.094 -22.050 -14.692
   11   3HE   MET   0          3HE       MET   0  -9.423 -20.435 -14.914
   12    H    GLU   1           H        GLU   1  -9.664 -23.185 -10.546
   13    HA   GLU   1           HA       GLU   1 -10.394 -24.076  -7.835
   14   1HB   GLU   1          2HB       GLU   1  -7.858 -24.278  -7.548
   15   2HB   GLU   1          1HB       GLU   1  -8.656 -25.476  -8.557
   16   1HG   GLU   1          2HG       GLU   1  -7.799 -24.569 -10.524
   17   2HG   GLU   1          1HG       GLU   1  -7.414 -23.029  -9.754
   18    H    GLU   2           H        GLU   2 -11.090 -21.502  -8.640
   19    HA   GLU   2           HA       GLU   2  -9.090 -19.743  -7.424
   20   1HB   GLU   2          2HB       GLU   2 -11.670 -18.947  -8.777
   21   2HB   GLU   2          1HB       GLU   2 -10.306 -17.911  -8.384
   22   1HG   GLU   2          2HG       GLU   2  -8.976 -19.488  -9.952
   23   2HG   GLU   2          1HG       GLU   2 -10.569 -19.943 -10.554
   24    H    VAL   3           H        VAL   3 -10.623 -21.604  -5.799
   25    HA   VAL   3           HA       VAL   3 -12.317 -19.765  -4.252
   26    HB   VAL   3           HB       VAL   3 -13.124 -21.880  -3.106
   27   1HG1  VAL   3          1HG1      VAL   3 -13.671 -21.243  -5.984
   28   2HG1  VAL   3          2HG1      VAL   3 -14.629 -20.850  -4.556
   29   3HG1  VAL   3          3HG1      VAL   3 -14.555 -22.514  -5.138
   30   1HG2  VAL   3          1HG2      VAL   3 -12.817 -23.991  -4.191
   31   2HG2  VAL   3          2HG2      VAL   3 -11.223 -23.297  -3.901
   32   3HG2  VAL   3          3HG2      VAL   3 -11.928 -23.243  -5.516
   33    H    GLU   4           H        GLU   4  -9.309 -21.423  -4.182
   34    HA   GLU   4           HA       GLU   4  -9.142 -21.329  -1.272
   35   1HB   GLU   4          2HB       GLU   4  -7.532 -22.600  -3.440
   36   2HB   GLU   4          1HB       GLU   4  -6.732 -22.227  -1.919
   37   1HG   GLU   4          2HG       GLU   4  -8.444 -23.539  -0.726
   38   2HG   GLU   4          1HG       GLU   4  -9.163 -23.965  -2.278
   39    H    GLN   5           H        GLN   5  -9.240 -18.849  -2.923
   40    HA   GLN   5           HA       GLN   5  -6.574 -17.734  -2.483
   41   1HB   GLN   5          2HB       GLN   5  -8.993 -16.737  -3.978
   42   2HB   GLN   5          1HB       GLN   5  -7.604 -15.709  -3.652
   43   1HG   GLN   5          2HG       GLN   5  -6.166 -17.158  -4.917
   44   2HG   GLN   5          1HG       GLN   5  -7.468 -18.327  -5.128
   45   1HE2  GLN   5          1HE2      GLN   5  -9.490 -17.331  -6.152
   46   2HE2  GLN   5          2HE2      GLN   5  -9.215 -16.310  -7.518
   47    H    THR   6           H        THR   6  -9.659 -17.846  -0.997
   48    HA   THR   6           HA       THR   6  -9.907 -15.391   0.239
   49    HB   THR   6           HB       THR   6 -10.573 -17.542   2.075
   50    HG1  THR   6           1HG      THR   6 -11.811 -17.755  -0.455
   51   1HG2  THR   6          1HG2      THR   6 -12.929 -16.612   1.050
   52   2HG2  THR   6          2HG2      THR   6 -11.851 -15.229   0.862
   53   3HG2  THR   6          3HG2      THR   6 -12.083 -15.958   2.451
   54    HA   PRO   7           HA       PRO   7  -7.157 -17.295   3.931
   55   1HB   PRO   7          2HB       PRO   7  -5.309 -18.763   2.104
   56   2HB   PRO   7          1HB       PRO   7  -5.823 -19.163   3.747
   57   1HG   PRO   7          2HG       PRO   7  -6.839 -20.464   1.664
   58   2HG   PRO   7          1HG       PRO   7  -7.859 -20.023   3.046
   59   1HD   PRO   7          2HD       PRO   7  -7.696 -18.788   0.334
   60   2HD   PRO   7          1HD       PRO   7  -9.105 -19.012   1.391
   61    H    LEU   8           H        LEU   8  -5.720 -16.739   0.712
   62    HA   LEU   8           HA       LEU   8  -3.481 -15.281   1.673
   63   1HB   LEU   8          2HB       LEU   8  -4.632 -15.984  -0.921
   64   2HB   LEU   8          1HB       LEU   8  -3.900 -14.391  -0.914
   65    HG   LEU   8           HG       LEU   8  -1.816 -15.496   0.043
   66   1HD1  LEU   8          1HD1      LEU   8  -3.496 -17.891  -0.545
   67   2HD1  LEU   8          2HD1      LEU   8  -2.420 -17.575   0.816
   68   3HD1  LEU   8          3HD1      LEU   8  -1.749 -17.979  -0.764
   69   1HD2  LEU   8          1HD2      LEU   8  -2.885 -15.739  -2.713
   70   2HD2  LEU   8          2HD2      LEU   8  -1.410 -16.628  -2.334
   71   3HD2  LEU   8          3HD2      LEU   8  -1.466 -14.879  -2.117
   72    H    GLN   9           H        GLN   9  -6.640 -14.307   0.381
   73    HA   GLN   9           HA       GLN   9  -6.246 -11.535   0.376
   74   1HB   GLN   9          2HB       GLN   9  -8.148 -12.727  -0.699
   75   2HB   GLN   9          1HB       GLN   9  -8.825 -13.027   0.894
   76   1HG   GLN   9          2HG       GLN   9  -8.799 -10.484   1.179
   77   2HG   GLN   9          1HG       GLN   9  -8.546 -10.425  -0.566
   78   1HE2  GLN   9          1HE2      GLN   9 -10.375  -9.970  -1.559
   79   2HE2  GLN   9          2HE2      GLN   9 -11.935 -10.604  -1.167
   80    H    GLU  10           H        GLU  10  -7.173 -13.744   2.963
   81    HA   GLU  10           HA       GLU  10  -8.018 -11.864   4.860
   82   1HB   GLU  10          2HB       GLU  10  -8.354 -14.314   5.051
   83   2HB   GLU  10          1HB       GLU  10  -6.637 -14.505   5.375
   84   1HG   GLU  10          2HG       GLU  10  -6.910 -13.075   7.382
   85   2HG   GLU  10          1HG       GLU  10  -8.647 -13.049   7.078
   86    H    ALA  11           H        ALA  11  -4.792 -13.245   4.258
   87    HA   ALA  11           HA       ALA  11  -3.456 -11.897   6.346
   88   1HB   ALA  11          1HB       ALA  11  -1.463 -12.240   4.586
   89   2HB   ALA  11          2HB       ALA  11  -2.642 -13.362   3.908
   90   3HB   ALA  11          3HB       ALA  11  -2.107 -13.548   5.578
   91    H    LEU  12           H        LEU  12  -4.140 -11.004   2.996
   92    HA   LEU  12           HA       LEU  12  -2.515  -8.740   2.810
   93   1HB   LEU  12          2HB       LEU  12  -4.827  -9.828   1.365
   94   2HB   LEU  12          1HB       LEU  12  -4.669  -8.085   1.260
   95    HG   LEU  12           HG       LEU  12  -2.133  -8.795   0.697
   96   1HD1  LEU  12          1HD1      LEU  12  -2.168 -11.075   0.613
   97   2HD1  LEU  12          2HD1      LEU  12  -2.569 -10.701  -1.063
   98   3HD1  LEU  12          3HD1      LEU  12  -3.845 -11.145   0.070
   99   1HD2  LEU  12          1HD2      LEU  12  -3.078  -7.336  -0.782
  100   2HD2  LEU  12          2HD2      LEU  12  -4.539  -8.300  -0.975
  101   3HD2  LEU  12          3HD2      LEU  12  -3.047  -8.791  -1.774
  102    H    ASN  13           H        ASN  13  -5.907  -9.007   3.908
  103    HA   ASN  13           HA       ASN  13  -6.201  -6.223   4.365
  104   1HB   ASN  13          2HB       ASN  13  -8.302  -6.694   5.341
  105   2HB   ASN  13          1HB       ASN  13  -8.096  -7.873   4.055
  106   1HD2  ASN  13          1HD2      ASN  13  -8.793  -9.808   4.583
  107   2HD2  ASN  13          2HD2      ASN  13  -8.760 -10.512   6.161
  108    H    GLN  14           H        GLN  14  -4.993  -8.859   6.343
  109    HA   GLN  14           HA       GLN  14  -5.076  -7.541   8.840
  110   1HB   GLN  14          2HB       GLN  14  -4.283 -10.049   7.933
  111   2HB   GLN  14          1HB       GLN  14  -2.793  -9.332   8.531
  112   1HG   GLN  14          2HG       GLN  14  -3.614 -10.415  10.389
  113   2HG   GLN  14          1HG       GLN  14  -4.181  -8.762  10.632
  114   1HE2  GLN  14          1HE2      GLN  14  -5.099 -12.018   9.789
  115   2HE2  GLN  14          2HE2      GLN  14  -6.799 -11.807  10.004
  116    H    LEU  15           H        LEU  15  -2.491  -7.799   6.394
  117    HA   LEU  15           HA       LEU  15  -0.624  -6.216   7.839
  118   1HB   LEU  15          2HB       LEU  15  -0.842  -7.123   4.991
  119   2HB   LEU  15          1HB       LEU  15   0.350  -5.913   5.426
  120    HG   LEU  15           HG       LEU  15   1.487  -7.426   6.884
  121   1HD1  LEU  15          1HD1      LEU  15   0.744  -9.655   7.370
  122   2HD1  LEU  15          2HD1      LEU  15  -0.645  -9.474   6.300
  123   3HD1  LEU  15          3HD1      LEU  15  -0.548  -8.532   7.787
  124   1HD2  LEU  15          1HD2      LEU  15   2.120  -9.210   5.312
  125   2HD2  LEU  15          2HD2      LEU  15   2.038  -7.630   4.534
  126   3HD2  LEU  15          3HD2      LEU  15   0.733  -8.794   4.305
  127    H    MET  16           H        MET  16  -3.079  -5.488   5.406
  128    HA   MET  16           HA       MET  16  -2.382  -2.769   5.008
  129   1HB   MET  16          2HB       MET  16  -4.901  -4.353   4.551
  130   2HB   MET  16          1HB       MET  16  -4.856  -2.619   4.272
  131   1HG   MET  16          2HG       MET  16  -2.713  -4.205   3.008
  132   2HG   MET  16          1HG       MET  16  -4.344  -4.437   2.382
  133   1HE   MET  16          1HE       MET  16  -1.409  -2.153   3.007
  134   2HE   MET  16          2HE       MET  16  -1.545  -0.964   1.713
  135   3HE   MET  16          3HE       MET  16  -1.285  -2.663   1.323
  136    H    ARG  17           H        ARG  17  -4.569  -4.401   7.275
  137    HA   ARG  17           HA       ARG  17  -5.786  -2.121   8.363
  138   1HB   ARG  17          2HB       ARG  17  -5.360  -4.925   9.278
  139   2HB   ARG  17          1HB       ARG  17  -5.833  -3.739  10.487
  140   1HG   ARG  17          2HG       ARG  17  -7.509  -3.422   8.209
  141   2HG   ARG  17          1HG       ARG  17  -7.468  -5.130   8.654
  142   1HD   ARG  17          2HD       ARG  17  -9.239  -4.213   9.894
  143   2HD   ARG  17          1HD       ARG  17  -7.904  -4.364  11.036
  144    HE   ARG  17           HE       ARG  17  -7.660  -1.827  10.100
  145   1HH1  ARG  17          1HH1      ARG  17 -10.299  -3.615  11.554
  146   2HH1  ARG  17          2HH1      ARG  17 -11.028  -2.209  12.253
  147   1HH2  ARG  17          1HH2      ARG  17  -8.628   0.023  11.034
  148   2HH2  ARG  17          2HH2      ARG  17 -10.082  -0.149  11.958
  149    H    GLN  18           H        GLN  18  -2.841  -3.861   9.338
  150    HA   GLN  18           HA       GLN  18  -2.242  -2.151  11.532
  151   1HB   GLN  18          2HB       GLN  18  -0.507  -4.036   9.926
  152   2HB   GLN  18          1HB       GLN  18   0.049  -3.183  11.360
  153   1HG   GLN  18          2HG       GLN  18  -1.862  -4.283  12.595
  154   2HG   GLN  18          1HG       GLN  18  -2.079  -5.294  11.169
  155   1HE2  GLN  18          1HE2      GLN  18  -0.010  -6.383  10.413
  156   2HE2  GLN  18          2HE2      GLN  18   0.987  -7.066  11.646
  157    H    LEU  19           H        LEU  19  -1.328  -2.203   8.126
  158    HA   LEU  19           HA       LEU  19   0.620  -0.174   8.193
  159   1HB   LEU  19          2HB       LEU  19   0.404  -1.652   6.297
  160   2HB   LEU  19          1HB       LEU  19  -1.227  -1.090   5.987
  161    HG   LEU  19           HG       LEU  19   0.708   1.083   5.935
  162   1HD1  LEU  19          1HD1      LEU  19   2.368   0.049   4.871
  163   2HD1  LEU  19          2HD1      LEU  19   1.279  -0.029   3.486
  164   3HD1  LEU  19          3HD1      LEU  19   1.401  -1.398   4.588
  165   1HD2  LEU  19          1HD2      LEU  19  -0.389   1.381   3.673
  166   2HD2  LEU  19          2HD2      LEU  19  -1.458   1.452   5.074
  167   3HD2  LEU  19          3HD2      LEU  19  -1.397  -0.007   4.086
  168    H    GLN  20           H        GLN  20  -2.885  -0.046   7.595
  169    HA   GLN  20           HA       GLN  20  -3.003   2.754   7.158
  170   1HB   GLN  20          2HB       GLN  20  -5.163   0.821   8.028
  171   2HB   GLN  20          1HB       GLN  20  -5.452   2.481   7.523
  172   1HG   GLN  20          2HG       GLN  20  -3.935   0.817   5.625
  173   2HG   GLN  20          1HG       GLN  20  -5.613   0.348   5.886
  174   1HE2  GLN  20          1HE2      GLN  20  -6.739   1.073   4.207
  175   2HE2  GLN  20          2HE2      GLN  20  -6.662   2.670   3.556
  176    H    ARG  21           H        ARG  21  -3.262   0.745  10.034
  177    HA   ARG  21           HA       ARG  21  -4.160   2.791  11.791
  178   1HB   ARG  21          2HB       ARG  21  -4.106   0.140  11.988
  179   2HB   ARG  21          1HB       ARG  21  -2.603   0.480  12.832
  180   1HG   ARG  21          2HG       ARG  21  -4.315   2.250  14.005
  181   2HG   ARG  21          1HG       ARG  21  -5.372   0.876  13.678
  182   1HD   ARG  21          2HD       ARG  21  -2.843   0.937  15.307
  183   2HD   ARG  21          1HD       ARG  21  -4.473   0.532  15.841
  184    HE   ARG  21           HE       ARG  21  -3.959  -1.357  13.979
  185   1HH1  ARG  21          1HH1      ARG  21  -2.221  -0.266  16.815
  186   2HH1  ARG  21          2HH1      ARG  21  -1.459  -1.795  17.089
  187   1HH2  ARG  21          1HH2      ARG  21  -2.948  -3.375  14.346
  188   2HH2  ARG  21          2HH2      ARG  21  -1.869  -3.559  15.689
  189    H    LYS  22           H        LYS  22  -1.071   2.126  10.453
  190    HA   LYS  22           HA       LYS  22   0.779   2.714  12.348
  191   1HB   LYS  22          2HB       LYS  22   0.797   2.553   9.604
  192   2HB   LYS  22          1HB       LYS  22   1.264   4.223   9.877
  193   1HG   LYS  22          2HG       LYS  22   2.632   1.768  10.951
  194   2HG   LYS  22          1HG       LYS  22   3.222   2.852   9.693
  195   1HD   LYS  22          2HD       LYS  22   4.230   4.062  11.260
  196   2HD   LYS  22          1HD       LYS  22   2.647   4.465  11.929
  197   1HE   LYS  22          2HE       LYS  22   2.833   2.164  13.107
  198   2HE   LYS  22          1HE       LYS  22   4.552   2.301  12.744
  199   1HZ   LYS  22          1HZ       LYS  22   4.562   3.333  14.731
  200   2HZ   LYS  22          2HZ       LYS  22   2.935   3.785  14.651
  201   3HZ   LYS  22          3HZ       LYS  22   4.103   4.685  13.821
  202    H    ASP  23           H        ASP  23  -0.360   5.344  10.197
  203    HA   ASP  23           HA       ASP  23  -1.286   7.148  12.009
  204   1HB   ASP  23          2HB       ASP  23   1.447   6.787  12.523
  205   2HB   ASP  23          1HB       ASP  23   1.318   8.340  11.709
  206    HA   PRO  24           HA       PRO  24   0.365   9.748   8.258
  207   1HB   PRO  24          2HB       PRO  24   1.859   8.337   6.447
  208   2HB   PRO  24          1HB       PRO  24   2.543   9.292   7.767
  209   1HG   PRO  24          2HG       PRO  24   2.045   6.347   7.624
  210   2HG   PRO  24          1HG       PRO  24   3.453   7.211   8.264
  211   1HD   PRO  24          2HD       PRO  24   1.566   6.183   9.859
  212   2HD   PRO  24          1HD       PRO  24   2.379   7.707  10.259
  213    H    SER  25           H        SER  25  -0.683   6.437   8.024
  214    HA   SER  25           HA       SER  25  -1.650   6.409   5.393
  215   1HB   SER  25          2HB       SER  25  -2.488   4.884   7.855
  216   2HB   SER  25          1HB       SER  25  -3.210   4.601   6.270
  217    HG   SER  25           HG       SER  25  -1.509   3.504   5.745
  218    H    ALA  26           H        ALA  26  -3.014   7.721   8.347
  219    HA   ALA  26           HA       ALA  26  -5.692   7.952   7.688
  220   1HB   ALA  26          1HB       ALA  26  -5.594  10.077   9.114
  221   2HB   ALA  26          2HB       ALA  26  -3.884   9.699   9.323
  222   3HB   ALA  26          3HB       ALA  26  -5.113   8.557   9.867
  223    H    PHE  27           H        PHE  27  -2.979   9.800   6.467
  224    HA   PHE  27           HA       PHE  27  -4.650  11.825   5.258
  225   1HB   PHE  27          2HB       PHE  27  -1.699  11.301   4.853
  226   2HB   PHE  27          1HB       PHE  27  -2.580  12.750   4.380
  227    HD1  PHE  27           2HD      PHE  27  -1.239  10.840   7.216
  228    HD2  PHE  27           1HD      PHE  27  -3.159  14.433   5.980
  229    HE1  PHE  27           2HE      PHE  27  -0.772  11.841   9.414
  230    HE2  PHE  27           1HE      PHE  27  -2.695  15.439   8.177
  231    HZ   PHE  27           HZ       PHE  27  -1.501  14.143   9.897
  232    H    PHE  28           H        PHE  28  -3.049   8.854   4.262
  233    HA   PHE  28           HA       PHE  28  -4.055   9.279   1.524
  234   1HB   PHE  28          2HB       PHE  28  -1.943   7.273   2.305
  235   2HB   PHE  28          1HB       PHE  28  -2.321   7.884   0.699
  236    HD1  PHE  28           1HD      PHE  28  -2.284  10.703   0.867
  237    HD2  PHE  28           2HD      PHE  28   0.155   7.913   2.961
  238    HE1  PHE  28           1HE      PHE  28  -0.543  12.420   1.118
  239    HE2  PHE  28           2HE      PHE  28   1.901   9.627   3.216
  240    HZ   PHE  28           HZ       PHE  28   1.554  11.884   2.294
  241    H    SER  29           H        SER  29  -5.640   8.308   3.787
  242    HA   SER  29           HA       SER  29  -6.073   5.497   3.090
  243   1HB   SER  29          2HB       SER  29  -5.861   6.034   5.484
  244   2HB   SER  29          1HB       SER  29  -7.228   7.138   5.362
  245    HG   SER  29           HG       SER  29  -7.182   4.335   5.273
  246    H    PHE  30           H        PHE  30  -6.856   7.809   1.374
  247    HA   PHE  30           HA       PHE  30  -9.575   6.951   0.855
  248   1HB   PHE  30          2HB       PHE  30  -8.991   9.441   2.171
  249   2HB   PHE  30          1HB       PHE  30  -9.657   9.769   0.576
  250    HD1  PHE  30           1HD      PHE  30 -10.293   7.810   3.668
  251    HD2  PHE  30           2HD      PHE  30 -11.948   9.688   0.228
  252    HE1  PHE  30           1HE      PHE  30 -12.559   7.392   4.534
  253    HE2  PHE  30           2HE      PHE  30 -14.215   9.274   1.087
  254    HZ   PHE  30           HZ       PHE  30 -14.524   8.126   3.243
  255    HA   PRO  31           HA       PRO  31  -8.156   7.304  -3.321
  256   1HB   PRO  31          2HB       PRO  31 -10.518   7.841  -4.603
  257   2HB   PRO  31          1HB       PRO  31 -10.052   6.235  -4.034
  258   1HG   PRO  31          2HG       PRO  31 -11.851   8.252  -2.750
  259   2HG   PRO  31          1HG       PRO  31 -12.060   6.496  -2.895
  260   1HD   PRO  31          2HD       PRO  31 -11.208   7.637  -0.614
  261   2HD   PRO  31          1HD       PRO  31 -10.613   6.052  -1.145
  262    H    VAL  32           H        VAL  32  -6.951   9.013  -3.898
  263    HA   VAL  32           HA       VAL  32  -7.515  11.674  -3.334
  264    HB   VAL  32           HB       VAL  32  -5.867  12.192  -5.245
  265   1HG1  VAL  32          1HG1      VAL  32  -5.150  10.595  -2.801
  266   2HG1  VAL  32          2HG1      VAL  32  -5.194  12.350  -2.980
  267   3HG1  VAL  32          3HG1      VAL  32  -3.962  11.407  -3.819
  268   1HG2  VAL  32          1HG2      VAL  32  -4.723   9.555  -5.086
  269   2HG2  VAL  32          2HG2      VAL  32  -5.083  10.545  -6.499
  270   3HG2  VAL  32          3HG2      VAL  32  -6.333   9.516  -5.800
  271    H    THR  33           H        THR  33  -8.152  13.434  -4.584
  272    HA   THR  33           HA       THR  33  -9.412  12.933  -7.160
  273    HB   THR  33           HB       THR  33 -11.091  14.547  -5.349
  274    HG1  THR  33           1HG      THR  33 -11.893  12.810  -4.218
  275   1HG2  THR  33          1HG2      THR  33 -12.480  14.138  -7.018
  276   2HG2  THR  33          2HG2      THR  33 -12.595  12.483  -6.418
  277   3HG2  THR  33          3HG2      THR  33 -11.428  12.884  -7.678
  278    H    ASP  34           H        ASP  34 -10.698  15.401  -7.436
  279    HA   ASP  34           HA       ASP  34  -8.469  17.098  -7.966
  280   1HB   ASP  34          2HB       ASP  34 -11.008  16.824  -8.996
  281   2HB   ASP  34          1HB       ASP  34 -11.115  18.342  -8.115
  282    H    PHE  35           H        PHE  35 -10.120  16.553  -5.118
  283    HA   PHE  35           HA       PHE  35  -9.542  19.269  -4.135
  284   1HB   PHE  35          2HB       PHE  35 -11.907  18.958  -4.027
  285   2HB   PHE  35          1HB       PHE  35 -11.734  17.335  -3.375
  286    HD1  PHE  35           1HD      PHE  35 -10.916  17.037  -1.036
  287    HD2  PHE  35           2HD      PHE  35 -11.967  20.843  -2.620
  288    HE1  PHE  35           1HE      PHE  35 -11.110  17.932   1.251
  289    HE2  PHE  35           2HE      PHE  35 -12.160  21.747  -0.340
  290    HZ   PHE  35           HZ       PHE  35 -11.731  20.291   1.600
  291    H    ILE  36           H        ILE  36  -9.651  15.820  -3.327
  292    HA   ILE  36           HA       ILE  36  -8.328  16.001  -0.846
  293    HB   ILE  36           HB       ILE  36  -8.793  13.762  -2.795
  294   1HG1  ILE  36          2HG1      ILE  36  -9.852  12.980  -0.439
  295   2HG1  ILE  36          1HG1      ILE  36  -9.953  14.727  -0.245
  296   1HG2  ILE  36          1HG2      ILE  36  -6.737  13.074  -1.976
  297   2HG2  ILE  36          2HG2      ILE  36  -7.889  12.276  -0.906
  298   3HG2  ILE  36          3HG2      ILE  36  -7.046  13.728  -0.369
  299   1HD1  ILE  36          1HD1      ILE  36 -11.867  14.614  -1.352
  300   2HD1  ILE  36          2HD1      ILE  36 -11.569  12.945  -1.837
  301   3HD1  ILE  36          3HD1      ILE  36 -10.919  14.272  -2.799
  302    H    ALA  37           H        ALA  37  -7.178  15.560  -4.160
  303    HA   ALA  37           HA       ALA  37  -4.400  15.754  -3.193
  304   1HB   ALA  37          1HB       ALA  37  -5.623  14.332  -5.522
  305   2HB   ALA  37          2HB       ALA  37  -4.478  13.738  -4.321
  306   3HB   ALA  37          3HB       ALA  37  -3.937  14.841  -5.584
  307    HA   PRO  38           HA       PRO  38  -4.088  19.592  -5.352
  308   1HB   PRO  38          2HB       PRO  38  -1.265  19.360  -5.728
  309   2HB   PRO  38          1HB       PRO  38  -2.116  20.270  -4.481
  310   1HG   PRO  38          2HG       PRO  38  -0.576  18.013  -4.039
  311   2HG   PRO  38          1HG       PRO  38  -1.811  18.635  -2.936
  312   1HD   PRO  38          2HD       PRO  38  -1.954  16.366  -4.861
  313   2HD   PRO  38          1HD       PRO  38  -2.719  16.553  -3.272
  314    H    GLY  39           H        GLY  39  -3.719  16.794  -6.859
  315   1HA   GLY  39          2HA       GLY  39  -4.374  17.153  -9.332
  316   2HA   GLY  39          1HA       GLY  39  -2.785  17.901  -9.410
  317    H    TYR  40           H        TYR  40  -3.717  15.038  -7.557
  318    HA   TYR  40           HA       TYR  40  -1.492  13.523  -8.229
  319   1HB   TYR  40          2HB       TYR  40  -4.123  12.975  -7.012
  320   2HB   TYR  40          1HB       TYR  40  -3.345  11.582  -7.755
  321    HD1  TYR  40           1HD      TYR  40  -2.009  14.482  -5.813
  322    HD2  TYR  40           2HD      TYR  40  -2.406  10.253  -6.094
  323    HE1  TYR  40           1HE      TYR  40  -0.606  14.223  -3.816
  324    HE2  TYR  40           2HE      TYR  40  -1.003   9.986  -4.099
  325    HH   TYR  40           HH       TYR  40  -0.323  12.437  -1.985
  326    H    SER  41           H        SER  41  -4.744  13.413  -9.688
  327    HA   SER  41           HA       SER  41  -4.098  11.453 -11.634
  328   1HB   SER  41          2HB       SER  41  -6.427  12.542 -10.776
  329   2HB   SER  41          1HB       SER  41  -6.232  13.389 -12.310
  330    HG   SER  41           HG       SER  41  -7.367  11.291 -12.345
  331    H    MET  42           H        MET  42  -3.694  14.924 -11.562
  332    HA   MET  42           HA       MET  42  -3.361  15.268 -14.377
  333   1HB   MET  42          2HB       MET  42  -3.796  16.954 -12.268
  334   2HB   MET  42          1HB       MET  42  -2.104  17.264 -12.627
  335   1HG   MET  42          2HG       MET  42  -3.317  18.832 -13.873
  336   2HG   MET  42          1HG       MET  42  -2.803  17.603 -15.027
  337   1HE   MET  42          1HE       MET  42  -6.284  19.508 -13.898
  338   2HE   MET  42          2HE       MET  42  -5.374  18.716 -12.612
  339   3HE   MET  42          3HE       MET  42  -6.914  18.043 -13.146
  340    H    ILE  43           H        ILE  43  -1.227  14.270 -11.832
  341    HA   ILE  43           HA       ILE  43   1.103  14.630 -13.600
  342    HB   ILE  43           HB       ILE  43   1.241  15.797 -11.422
  343   1HG1  ILE  43          2HG1      ILE  43   3.446  14.745 -10.698
  344   2HG1  ILE  43          1HG1      ILE  43   3.160  13.521 -11.929
  345   1HG2  ILE  43          1HG2      ILE  43   1.804  13.847  -9.567
  346   2HG2  ILE  43          2HG2      ILE  43   0.413  13.191 -10.423
  347   3HG2  ILE  43          3HG2      ILE  43   0.311  14.778  -9.671
  348   1HD1  ILE  43          1HD1      ILE  43   4.611  15.658 -12.408
  349   2HD1  ILE  43          2HD1      ILE  43   3.033  16.372 -12.736
  350   3HD1  ILE  43          3HD1      ILE  43   3.567  14.959 -13.645
  351    H    ILE  44           H        ILE  44  -0.736  12.363 -11.686
  352    HA   ILE  44           HA       ILE  44   0.736  10.167 -12.904
  353    HB   ILE  44           HB       ILE  44   0.931  10.856 -10.179
  354   1HG1  ILE  44          2HG1      ILE  44   1.962   8.301 -10.460
  355   2HG1  ILE  44          1HG1      ILE  44   2.003   8.947 -12.092
  356   1HG2  ILE  44          1HG2      ILE  44  -0.606   8.289 -10.536
  357   2HG2  ILE  44          2HG2      ILE  44  -1.164   9.742  -9.707
  358   3HG2  ILE  44          3HG2      ILE  44   0.178   8.814  -9.047
  359   1HD1  ILE  44          1HD1      ILE  44   3.120  10.403  -9.722
  360   2HD1  ILE  44          2HD1      ILE  44   3.358  10.759 -11.434
  361   3HD1  ILE  44          3HD1      ILE  44   4.066   9.305 -10.728
  362    H    LYS  45           H        LYS  45  -0.623   9.151 -14.079
  363    HA   LYS  45           HA       LYS  45  -3.342   9.311 -14.201
  364   1HB   LYS  45          2HB       LYS  45  -1.322   7.441 -15.188
  365   2HB   LYS  45          1HB       LYS  45  -2.911   6.712 -14.997
  366   1HG   LYS  45          2HG       LYS  45  -3.488   7.575 -16.950
  367   2HG   LYS  45          1HG       LYS  45  -3.352   9.184 -16.239
  368   1HD   LYS  45          2HD       LYS  45  -0.816   8.904 -16.749
  369   2HD   LYS  45          1HD       LYS  45  -1.362   7.658 -17.872
  370   1HE   LYS  45          2HE       LYS  45  -2.770  10.258 -17.983
  371   2HE   LYS  45          1HE       LYS  45  -1.101  10.243 -18.547
  372   1HZ   LYS  45          1HZ       LYS  45  -2.822   8.108 -19.533
  373   2HZ   LYS  45          2HZ       LYS  45  -1.624   8.989 -20.334
  374   3HZ   LYS  45          3HZ       LYS  45  -3.155   9.665 -20.107
  375    H    HIS  46           H        HIS  46  -1.690   6.472 -12.740
  376    HA   HIS  46           HA       HIS  46  -4.062   6.152 -11.019
  377   1HB   HIS  46          2HB       HIS  46  -2.887   4.330 -12.853
  378   2HB   HIS  46          1HB       HIS  46  -2.621   3.696 -11.232
  379    HD1  HIS  46           1HD      HIS  46  -4.961   3.449 -13.845
  380    HD2  HIS  46           2HD      HIS  46  -5.298   3.889  -9.726
  381    HE1  HIS  46           1HE      HIS  46  -7.287   2.680 -13.274
  382    HE2  HIS  46           2HE      HIS  46  -7.453   2.914 -10.771
  383    HA   PRO  47           HA       PRO  47  -0.737   6.750  -7.949
  384   1HB   PRO  47          2HB       PRO  47  -2.303   7.914  -6.084
  385   2HB   PRO  47          1HB       PRO  47  -1.625   8.808  -7.448
  386   1HG   PRO  47          2HG       PRO  47  -4.389   7.787  -7.036
  387   2HG   PRO  47          1HG       PRO  47  -3.843   9.269  -7.835
  388   1HD   PRO  47          2HD       PRO  47  -4.633   6.951  -9.136
  389   2HD   PRO  47          1HD       PRO  47  -3.637   8.235  -9.845
  390    H    MET  48           H        MET  48  -3.964   5.430  -7.535
  391    HA   MET  48           HA       MET  48  -4.855   3.804  -6.231
  392   1HB   MET  48          2HB       MET  48  -2.077   2.773  -6.740
  393   2HB   MET  48          1HB       MET  48  -3.268   1.827  -5.860
  394   1HG   MET  48          2HG       MET  48  -3.435   2.790  -8.702
  395   2HG   MET  48          1HG       MET  48  -3.284   1.128  -8.137
  396   1HE   MET  48          1HE       MET  48  -5.345   1.726  -5.518
  397   2HE   MET  48          2HE       MET  48  -5.276   0.162  -6.325
  398   3HE   MET  48          3HE       MET  48  -6.819   0.989  -6.143
  399    H    ASP  49           H        ASP  49  -5.170   5.171  -4.405
  400    HA   ASP  49           HA       ASP  49  -3.238   5.374  -2.311
  401   1HB   ASP  49          2HB       ASP  49  -6.229   5.822  -2.147
  402   2HB   ASP  49          1HB       ASP  49  -5.018   6.404  -1.009
  403    H    PHE  50           H        PHE  50  -3.954   4.702   0.003
  404    HA   PHE  50           HA       PHE  50  -3.940   1.884   0.112
  405   1HB   PHE  50          2HB       PHE  50  -4.700   3.693   2.407
  406   2HB   PHE  50          1HB       PHE  50  -3.976   2.090   2.490
  407    HD1  PHE  50           2HD      PHE  50  -1.925   2.592   0.248
  408    HD2  PHE  50           1HD      PHE  50  -3.053   4.813   3.700
  409    HE1  PHE  50           2HE      PHE  50   0.306   3.623   0.308
  410    HE2  PHE  50           1HE      PHE  50  -0.824   5.846   3.764
  411    HZ   PHE  50           HZ       PHE  50   0.860   5.254   2.068
  412    H    SER  51           H        SER  51  -6.565   4.215   0.272
  413    HA   SER  51           HA       SER  51  -8.528   2.375   1.233
  414   1HB   SER  51          2HB       SER  51  -8.445   5.115   0.892
  415   2HB   SER  51          1HB       SER  51  -9.563   4.599  -0.369
  416    HG   SER  51           HG       SER  51 -10.948   3.904   1.109
  417    H    THR  52           H        THR  52  -7.556   3.526  -1.980
  418    HA   THR  52           HA       THR  52  -9.602   2.211  -3.420
  419    HB   THR  52           HB       THR  52  -6.883   2.752  -4.582
  420    HG1  THR  52           1HG      THR  52  -7.114   4.695  -3.779
  421   1HG2  THR  52          1HG2      THR  52  -9.382   3.605  -5.898
  422   2HG2  THR  52          2HG2      THR  52  -9.072   1.870  -5.815
  423   3HG2  THR  52          3HG2      THR  52  -7.899   2.939  -6.584
  424    H    MET  53           H        MET  53  -6.231   1.284  -2.713
  425    HA   MET  53           HA       MET  53  -6.296  -1.178  -4.066
  426   1HB   MET  53          2HB       MET  53  -4.290  -1.758  -2.860
  427   2HB   MET  53          1HB       MET  53  -4.208  -0.071  -3.338
  428   1HG   MET  53          2HG       MET  53  -4.864   0.581  -1.058
  429   2HG   MET  53          1HG       MET  53  -4.863  -1.120  -0.593
  430   1HE   MET  53          1HE       MET  53  -1.339  -2.267  -0.760
  431   2HE   MET  53          2HE       MET  53  -1.703  -1.838  -2.431
  432   3HE   MET  53          3HE       MET  53  -2.942  -2.589  -1.426
  433    H    LYS  54           H        LYS  54  -7.126  -0.335  -0.714
  434    HA   LYS  54           HA       LYS  54  -7.477  -2.933   0.276
  435   1HB   LYS  54          2HB       LYS  54  -7.995  -0.277   1.181
  436   2HB   LYS  54          1HB       LYS  54  -9.449  -1.228   1.442
  437   1HG   LYS  54          2HG       LYS  54  -6.910  -2.480   2.273
  438   2HG   LYS  54          1HG       LYS  54  -7.441  -1.077   3.203
  439   1HD   LYS  54          2HD       LYS  54  -9.711  -2.251   3.335
  440   2HD   LYS  54          1HD       LYS  54  -8.861  -3.694   2.781
  441   1HE   LYS  54          2HE       LYS  54  -8.702  -3.977   5.048
  442   2HE   LYS  54          1HE       LYS  54  -7.217  -3.078   4.742
  443   1HZ   LYS  54          1HZ       LYS  54  -8.342  -1.048   5.401
  444   2HZ   LYS  54          2HZ       LYS  54  -8.434  -2.195   6.642
  445   3HZ   LYS  54          3HZ       LYS  54  -9.782  -1.894   5.667
  446    H    GLU  55           H        GLU  55  -9.778  -0.765  -1.359
  447    HA   GLU  55           HA       GLU  55 -12.029  -2.459  -1.160
  448   1HB   GLU  55          2HB       GLU  55 -11.509   0.076  -2.193
  449   2HB   GLU  55          1HB       GLU  55 -11.984  -0.866  -3.599
  450   1HG   GLU  55          2HG       GLU  55 -13.820  -1.525  -1.594
  451   2HG   GLU  55          1HG       GLU  55 -13.600   0.221  -1.493
  452    H    LYS  56           H        LYS  56  -9.435  -2.189  -3.532
  453    HA   LYS  56           HA       LYS  56 -10.522  -3.983  -5.438
  454   1HB   LYS  56          2HB       LYS  56  -7.640  -3.240  -4.933
  455   2HB   LYS  56          1HB       LYS  56  -8.245  -4.052  -6.369
  456   1HG   LYS  56          2HG       LYS  56  -9.390  -1.408  -5.606
  457   2HG   LYS  56          1HG       LYS  56  -7.801  -1.477  -6.370
  458   1HD   LYS  56          2HD       LYS  56  -8.736  -2.678  -8.262
  459   2HD   LYS  56          1HD       LYS  56 -10.321  -2.706  -7.485
  460   1HE   LYS  56          2HE       LYS  56 -10.694  -0.854  -8.704
  461   2HE   LYS  56          1HE       LYS  56  -9.771  -0.053  -7.433
  462   1HZ   LYS  56          1HZ       LYS  56  -7.811  -0.152  -8.747
  463   2HZ   LYS  56          2HZ       LYS  56  -9.035   0.466  -9.737
  464   3HZ   LYS  56          3HZ       LYS  56  -8.545  -1.145  -9.906
  465    H    ILE  57           H        ILE  57  -8.345  -4.408  -2.667
  466    HA   ILE  57           HA       ILE  57  -7.622  -7.077  -3.124
  467    HB   ILE  57           HB       ILE  57  -7.987  -5.688  -0.460
  468   1HG1  ILE  57          2HG1      ILE  57  -5.305  -6.231  -1.631
  469   2HG1  ILE  57          1HG1      ILE  57  -6.243  -4.933  -2.358
  470   1HG2  ILE  57          1HG2      ILE  57  -6.152  -7.513   0.088
  471   2HG2  ILE  57          2HG2      ILE  57  -6.964  -8.372  -1.220
  472   3HG2  ILE  57          3HG2      ILE  57  -7.876  -7.869   0.203
  473   1HD1  ILE  57          1HD1      ILE  57  -4.633  -4.804  -0.090
  474   2HD1  ILE  57          2HD1      ILE  57  -6.290  -4.714   0.505
  475   3HD1  ILE  57          3HD1      ILE  57  -5.722  -3.561  -0.703
  476    H    LYS  58           H        LYS  58 -10.441  -5.678  -1.505
  477    HA   LYS  58           HA       LYS  58 -11.537  -8.031  -0.454
  478   1HB   LYS  58          2HB       LYS  58 -13.105  -5.665  -1.490
  479   2HB   LYS  58          1HB       LYS  58 -13.615  -6.825  -0.271
  480   1HG   LYS  58          2HG       LYS  58 -11.254  -5.802   0.745
  481   2HG   LYS  58          1HG       LYS  58 -12.038  -4.408   0.000
  482   1HD   LYS  58          2HD       LYS  58 -14.141  -5.129   1.245
  483   2HD   LYS  58          1HD       LYS  58 -13.094  -6.212   2.163
  484   1HE   LYS  58          2HE       LYS  58 -11.899  -4.435   3.112
  485   2HE   LYS  58          1HE       LYS  58 -12.477  -3.286   1.907
  486   1HZ   LYS  58          1HZ       LYS  58 -13.482  -3.350   4.310
  487   2HZ   LYS  58          2HZ       LYS  58 -14.450  -4.571   3.654
  488   3HZ   LYS  58          3HZ       LYS  58 -14.461  -3.025   2.968
  489    H    ASN  59           H        ASN  59 -11.471  -6.838  -3.733
  490    HA   ASN  59           HA       ASN  59 -13.466  -8.804  -4.592
  491   1HB   ASN  59          2HB       ASN  59 -12.269  -6.347  -5.803
  492   2HB   ASN  59          1HB       ASN  59 -12.895  -7.594  -6.872
  493   1HD2  ASN  59          1HD2      ASN  59 -13.661  -5.058  -4.700
  494   2HD2  ASN  59          2HD2      ASN  59 -15.379  -5.133  -4.868
  495    H    ASN  60           H        ASN  60 -10.609  -9.400  -3.713
  496    HA   ASN  60           HA       ASN  60  -8.921 -10.803  -4.271
  497   1HB   ASN  60          2HB       ASN  60 -11.235 -11.863  -5.513
  498   2HB   ASN  60          1HB       ASN  60  -9.920 -12.014  -6.675
  499   1HD2  ASN  60          1HD2      ASN  60 -10.281 -12.336  -3.154
  500   2HD2  ASN  60          2HD2      ASN  60  -9.484 -13.866  -3.044
  501    H    ASP  61           H        ASP  61  -9.239  -8.106  -5.591
  502    HA   ASP  61           HA       ASP  61  -8.039  -8.310  -8.178
  503   1HB   ASP  61          2HB       ASP  61  -9.402  -6.347  -7.084
  504   2HB   ASP  61          1HB       ASP  61  -7.828  -5.858  -6.462
  505    H    TYR  62           H        TYR  62  -6.901  -7.797  -4.892
  506    HA   TYR  62           HA       TYR  62  -4.135  -8.126  -5.843
  507   1HB   TYR  62          2HB       TYR  62  -5.126  -6.484  -3.500
  508   2HB   TYR  62          1HB       TYR  62  -3.431  -6.768  -3.878
  509    HD1  TYR  62           1HD      TYR  62  -2.704  -6.084  -6.315
  510    HD2  TYR  62           2HD      TYR  62  -6.150  -4.583  -4.324
  511    HE1  TYR  62           1HE      TYR  62  -2.737  -4.157  -7.839
  512    HE2  TYR  62           2HE      TYR  62  -6.185  -2.646  -5.840
  513    HH   TYR  62           HH       TYR  62  -4.470  -1.392  -7.270
  514    H    GLN  63           H        GLN  63  -3.517 -10.108  -5.372
  515    HA   GLN  63           HA       GLN  63  -3.814 -11.096  -2.657
  516   1HB   GLN  63          2HB       GLN  63  -4.764 -13.182  -3.265
  517   2HB   GLN  63          1HB       GLN  63  -5.730 -11.962  -4.080
  518   1HG   GLN  63          2HG       GLN  63  -5.433 -13.092  -5.955
  519   2HG   GLN  63          1HG       GLN  63  -3.737 -12.609  -5.905
  520   1HE2  GLN  63          1HE2      GLN  63  -2.623 -14.350  -6.505
  521   2HE2  GLN  63          2HE2      GLN  63  -2.789 -15.930  -5.827
  522    H    SER  64           H        SER  64  -1.721 -10.101  -4.612
  523    HA   SER  64           HA       SER  64   0.156 -12.324  -4.248
  524   1HB   SER  64          2HB       SER  64   0.303 -10.455  -6.614
  525   2HB   SER  64          1HB       SER  64   1.113 -12.005  -6.388
  526    HG   SER  64           HG       SER  64  -0.839 -13.046  -6.673
  527    H    ILE  65           H        ILE  65   2.003 -11.766  -3.307
  528    HA   ILE  65           HA       ILE  65   2.355  -9.386  -1.957
  529    HB   ILE  65           HB       ILE  65   4.793 -10.060  -1.816
  530   1HG1  ILE  65          2HG1      ILE  65   4.590 -12.759  -2.531
  531   2HG1  ILE  65          1HG1      ILE  65   3.923 -11.877  -3.901
  532   1HG2  ILE  65          1HG2      ILE  65   4.316 -11.430  -0.077
  533   2HG2  ILE  65          2HG2      ILE  65   3.172 -12.396  -1.009
  534   3HG2  ILE  65          3HG2      ILE  65   2.694 -10.814  -0.393
  535   1HD1  ILE  65          1HD1      ILE  65   6.347 -10.631  -3.013
  536   2HD1  ILE  65          2HD1      ILE  65   5.947 -11.320  -4.587
  537   3HD1  ILE  65          3HD1      ILE  65   6.608 -12.349  -3.316
  538    H    GLU  66           H        GLU  66   3.533 -10.320  -5.157
  539    HA   GLU  66           HA       GLU  66   5.142  -8.011  -5.573
  540   1HB   GLU  66          2HB       GLU  66   4.753 -10.408  -6.889
  541   2HB   GLU  66          1HB       GLU  66   4.034  -9.241  -7.988
  542   1HG   GLU  66          2HG       GLU  66   6.302  -7.958  -7.508
  543   2HG   GLU  66          1HG       GLU  66   6.857  -9.596  -7.167
  544    H    GLU  67           H        GLU  67   1.791  -8.853  -6.335
  545    HA   GLU  67           HA       GLU  67   1.228  -6.538  -7.884
  546   1HB   GLU  67          2HB       GLU  67  -0.046  -8.760  -7.811
  547   2HB   GLU  67          1HB       GLU  67  -0.797  -8.154  -6.343
  548   1HG   GLU  67          2HG       GLU  67  -2.355  -7.517  -7.860
  549   2HG   GLU  67          1HG       GLU  67  -1.331  -6.082  -7.877
  550    H    LEU  68           H        LEU  68   0.611  -7.406  -4.504
  551    HA   LEU  68           HA       LEU  68  -0.724  -5.063  -3.732
  552   1HB   LEU  68          2HB       LEU  68  -0.448  -7.319  -2.515
  553   2HB   LEU  68          1HB       LEU  68   1.059  -6.657  -1.913
  554    HG   LEU  68           HG       LEU  68  -0.122  -4.878  -0.769
  555   1HD1  LEU  68          1HD1      LEU  68  -1.933  -4.353  -2.166
  556   2HD1  LEU  68          2HD1      LEU  68  -2.665  -5.027  -0.709
  557   3HD1  LEU  68          3HD1      LEU  68  -2.527  -6.013  -2.165
  558   1HD2  LEU  68          1HD2      LEU  68  -1.780  -6.568   0.529
  559   2HD2  LEU  68          2HD2      LEU  68  -0.034  -6.523   0.768
  560   3HD2  LEU  68          3HD2      LEU  68  -0.742  -7.719  -0.317
  561    H    LYS  69           H        LYS  69   2.717  -5.945  -3.464
  562    HA   LYS  69           HA       LYS  69   3.586  -3.577  -2.235
  563   1HB   LYS  69          2HB       LYS  69   4.939  -5.646  -2.359
  564   2HB   LYS  69          1HB       LYS  69   5.153  -5.387  -4.085
  565   1HG   LYS  69          2HG       LYS  69   5.933  -3.094  -2.446
  566   2HG   LYS  69          1HG       LYS  69   6.870  -4.556  -2.131
  567   1HD   LYS  69          2HD       LYS  69   6.382  -3.546  -4.923
  568   2HD   LYS  69          1HD       LYS  69   7.732  -2.970  -3.945
  569   1HE   LYS  69          2HE       LYS  69   7.430  -5.893  -4.046
  570   2HE   LYS  69          1HE       LYS  69   7.819  -5.136  -5.590
  571   1HZ   LYS  69          1HZ       LYS  69   9.708  -5.862  -3.995
  572   2HZ   LYS  69          2HZ       LYS  69   9.366  -4.415  -3.190
  573   3HZ   LYS  69          3HZ       LYS  69   9.834  -4.388  -4.816
  574    H    ASP  70           H        ASP  70   3.307  -4.456  -5.661
  575    HA   ASP  70           HA       ASP  70   4.543  -2.213  -6.768
  576   1HB   ASP  70          2HB       ASP  70   3.513  -4.421  -7.847
  577   2HB   ASP  70          1HB       ASP  70   2.151  -3.347  -8.145
  578    H    ASN  71           H        ASN  71   1.185  -2.697  -5.745
  579    HA   ASN  71           HA       ASN  71   0.259  -0.174  -6.687
  580   1HB   ASN  71          2HB       ASN  71  -0.909  -2.493  -5.652
  581   2HB   ASN  71          1HB       ASN  71  -1.303  -1.236  -4.485
  582   1HD2  ASN  71          1HD2      ASN  71  -1.020  -1.377  -8.032
  583   2HD2  ASN  71          2HD2      ASN  71  -2.571  -0.683  -8.344
  584    H    PHE  72           H        PHE  72   1.138  -1.355  -3.427
  585    HA   PHE  72           HA       PHE  72   0.626   1.058  -2.075
  586   1HB   PHE  72          2HB       PHE  72   0.897  -1.003  -0.830
  587   2HB   PHE  72          1HB       PHE  72   2.552  -1.181  -1.401
  588    HD1  PHE  72           1HD      PHE  72   0.380   1.141   0.543
  589    HD2  PHE  72           2HD      PHE  72   4.299  -0.394  -0.101
  590    HE1  PHE  72           1HE      PHE  72   1.189   2.392   2.502
  591    HE2  PHE  72           2HE      PHE  72   5.112   0.852   1.857
  592    HZ   PHE  72           HZ       PHE  72   3.558   2.250   3.159
  593    H    LYS  73           H        LYS  73   3.649  -0.235  -3.433
  594    HA   LYS  73           HA       LYS  73   5.281   1.949  -2.733
  595   1HB   LYS  73          2HB       LYS  73   5.750  -0.493  -3.823
  596   2HB   LYS  73          1HB       LYS  73   5.946   0.529  -5.239
  597   1HG   LYS  73          2HG       LYS  73   7.474   1.926  -3.614
  598   2HG   LYS  73          1HG       LYS  73   7.572   0.387  -2.753
  599   1HD   LYS  73          2HD       LYS  73   8.162  -0.637  -5.027
  600   2HD   LYS  73          1HD       LYS  73   8.430   1.022  -5.565
  601   1HE   LYS  73          2HE       LYS  73   9.744   0.029  -3.067
  602   2HE   LYS  73          1HE       LYS  73  10.420  -0.389  -4.641
  603   1HZ   LYS  73          1HZ       LYS  73  10.456   2.033  -5.140
  604   2HZ   LYS  73          2HZ       LYS  73  11.484   1.578  -3.876
  605   3HZ   LYS  73          3HZ       LYS  73  10.010   2.335  -3.534
  606    H    LEU  74           H        LEU  74   3.193   1.359  -5.519
  607    HA   LEU  74           HA       LEU  74   4.117   3.403  -7.197
  608   1HB   LEU  74          2HB       LEU  74   1.801   1.661  -7.053
  609   2HB   LEU  74          1HB       LEU  74   1.361   3.259  -7.624
  610    HG   LEU  74           HG       LEU  74   3.668   1.803  -8.869
  611   1HD1  LEU  74          1HD1      LEU  74   1.839   0.219  -8.944
  612   2HD1  LEU  74          2HD1      LEU  74   2.121   0.898 -10.546
  613   3HD1  LEU  74          3HD1      LEU  74   0.758   1.460  -9.577
  614   1HD2  LEU  74          1HD2      LEU  74   3.341   3.247 -10.666
  615   2HD2  LEU  74          2HD2      LEU  74   3.060   4.271  -9.258
  616   3HD2  LEU  74          3HD2      LEU  74   1.693   3.640 -10.177
  617    H    MET  75           H        MET  75   1.583   3.476  -4.682
  618    HA   MET  75           HA       MET  75   0.847   6.174  -5.133
  619   1HB   MET  75          2HB       MET  75  -0.312   4.267  -3.714
  620   2HB   MET  75          1HB       MET  75   0.617   4.984  -2.404
  621   1HG   MET  75          2HG       MET  75  -0.607   7.115  -3.780
  622   2HG   MET  75          1HG       MET  75  -1.832   5.867  -3.580
  623   1HE   MET  75          1HE       MET  75   1.212   6.715  -1.015
  624   2HE   MET  75          2HE       MET  75   0.403   8.064  -0.216
  625   3HE   MET  75          3HE       MET  75   0.750   8.142  -1.943
  626    H    CYS  76           H        CYS  76   3.112   4.667  -2.849
  627    HA   CYS  76           HA       CYS  76   3.875   7.001  -1.491
  628   1HB   CYS  76          2HB       CYS  76   5.023   4.286  -1.859
  629   2HB   CYS  76          1HB       CYS  76   6.134   5.544  -1.327
  630    HG   CYS  76           HG       CYS  76   3.616   4.712   0.302
  631    H    THR  77           H        THR  77   5.152   5.494  -4.435
  632    HA   THR  77           HA       THR  77   7.296   7.342  -4.765
  633    HB   THR  77           HB       THR  77   5.986   5.546  -6.818
  634    HG1  THR  77           1HG      THR  77   6.790   4.186  -5.348
  635   1HG2  THR  77          1HG2      THR  77   7.552   6.083  -8.301
  636   2HG2  THR  77          2HG2      THR  77   8.832   6.080  -7.086
  637   3HG2  THR  77          3HG2      THR  77   7.827   7.512  -7.306
  638    H    ASN  78           H        ASN  78   4.080   7.052  -6.297
  639    HA   ASN  78           HA       ASN  78   4.353   9.314  -7.963
  640   1HB   ASN  78          2HB       ASN  78   1.822   8.038  -6.898
  641   2HB   ASN  78          1HB       ASN  78   1.926   9.142  -8.256
  642   1HD2  ASN  78          1HD2      ASN  78   0.705   7.011  -8.939
  643   2HD2  ASN  78          2HD2      ASN  78   1.682   5.868  -9.773
  644    H    ALA  79           H        ALA  79   3.255   8.895  -4.651
  645    HA   ALA  79           HA       ALA  79   2.141  11.515  -4.373
  646   1HB   ALA  79          1HB       ALA  79   2.194  10.961  -1.923
  647   2HB   ALA  79          2HB       ALA  79   2.926   9.419  -2.362
  648   3HB   ALA  79          3HB       ALA  79   1.308   9.821  -2.935
  649    H    MET  80           H        MET  80   5.251  10.023  -3.482
  650    HA   MET  80           HA       MET  80   6.264  12.326  -2.169
  651   1HB   MET  80          2HB       MET  80   8.381  11.206  -2.113
  652   2HB   MET  80          1HB       MET  80   7.123  10.020  -1.806
  653   1HG   MET  80          2HG       MET  80   7.833   8.767  -3.478
  654   2HG   MET  80          1HG       MET  80   7.671  10.108  -4.607
  655   1HE   MET  80          1HE       MET  80  10.402  10.882  -5.916
  656   2HE   MET  80          2HE       MET  80   9.168   9.630  -6.058
  657   3HE   MET  80          3HE       MET  80  10.863   9.180  -5.867
  658    H    ILE  81           H        ILE  81   6.270  11.295  -5.529
  659    HA   ILE  81           HA       ILE  81   8.243  13.202  -6.355
  660    HB   ILE  81           HB       ILE  81   7.829  11.139  -7.644
  661   1HG1  ILE  81          2HG1      ILE  81   7.372  12.578  -9.912
  662   2HG1  ILE  81          1HG1      ILE  81   7.834  13.857  -8.794
  663   1HG2  ILE  81          1HG2      ILE  81   5.194  12.441  -8.301
  664   2HG2  ILE  81          2HG2      ILE  81   5.459  10.909  -7.473
  665   3HG2  ILE  81          3HG2      ILE  81   5.870  11.071  -9.178
  666   1HD1  ILE  81          1HD1      ILE  81   9.952  12.907  -8.427
  667   2HD1  ILE  81          2HD1      ILE  81   9.679  12.822 -10.167
  668   3HD1  ILE  81          3HD1      ILE  81   9.481  11.379  -9.173
  669    H    TYR  82           H        TYR  82   4.692  13.144  -6.272
  670    HA   TYR  82           HA       TYR  82   4.470  15.698  -7.594
  671   1HB   TYR  82          2HB       TYR  82   2.719  13.813  -7.623
  672   2HB   TYR  82          1HB       TYR  82   2.267  14.376  -6.016
  673    HD1  TYR  82           1HD      TYR  82   3.093  16.086  -9.246
  674    HD2  TYR  82           2HD      TYR  82   0.309  15.597  -6.066
  675    HE1  TYR  82           1HE      TYR  82   1.644  17.790 -10.260
  676    HE2  TYR  82           2HE      TYR  82  -1.144  17.303  -7.073
  677    HH   TYR  82           HH       TYR  82  -0.225  19.469  -9.223
  678    H    ASN  83           H        ASN  83   5.331  14.817  -4.464
  679    HA   ASN  83           HA       ASN  83   4.426  17.400  -3.410
  680   1HB   ASN  83          2HB       ASN  83   3.647  15.027  -2.423
  681   2HB   ASN  83          1HB       ASN  83   5.155  15.206  -1.532
  682   1HD2  ASN  83          1HD2      ASN  83   2.453  17.322  -2.497
  683   2HD2  ASN  83          2HD2      ASN  83   2.223  18.012  -0.930
  684    H    LYS  84           H        LYS  84   6.132  16.893  -1.014
  685    HA   LYS  84           HA       LYS  84   8.823  16.566  -1.605
  686   1HB   LYS  84          2HB       LYS  84   9.506  19.035  -1.528
  687   2HB   LYS  84          1HB       LYS  84   8.850  18.433  -3.042
  688   1HG   LYS  84          2HG       LYS  84   6.588  19.334  -2.080
  689   2HG   LYS  84          1HG       LYS  84   7.647  20.320  -1.071
  690   1HD   LYS  84          2HD       LYS  84   7.763  20.189  -4.084
  691   2HD   LYS  84          1HD       LYS  84   6.953  21.455  -3.161
  692   1HE   LYS  84          2HE       LYS  84   8.892  22.553  -3.178
  693   2HE   LYS  84          1HE       LYS  84   9.490  21.334  -2.054
  694   1HZ   LYS  84          1HZ       LYS  84  10.788  21.801  -4.216
  695   2HZ   LYS  84          2HZ       LYS  84   9.606  20.847  -4.959
  696   3HZ   LYS  84          3HZ       LYS  84  10.568  20.196  -3.730
  697    HA   PRO  85           HA       PRO  85   9.203  16.923   2.785
  698   1HB   PRO  85          2HB       PRO  85  11.585  18.258   3.114
  699   2HB   PRO  85          1HB       PRO  85  11.458  16.544   2.711
  700   1HG   PRO  85          2HG       PRO  85  11.953  18.882   0.914
  701   2HG   PRO  85          1HG       PRO  85  12.713  17.280   0.903
  702   1HD   PRO  85          2HD       PRO  85  10.789  17.935  -0.847
  703   2HD   PRO  85          1HD       PRO  85  10.915  16.297  -0.177
  704    H    GLU  86           H        GLU  86   7.342  18.431   2.662
  705    HA   GLU  86           HA       GLU  86   7.979  21.250   3.084
  706   1HB   GLU  86          2HB       GLU  86   5.997  20.101   1.661
  707   2HB   GLU  86          1HB       GLU  86   5.170  20.307   3.198
  708   1HG   GLU  86          2HG       GLU  86   6.642  22.596   1.970
  709   2HG   GLU  86          1HG       GLU  86   5.033  22.159   1.397
  710    H    THR  87           H        THR  87   5.860  18.836   4.658
  711    HA   THR  87           HA       THR  87   6.687  19.907   7.256
  712    HB   THR  87           HB       THR  87   4.312  19.745   8.043
  713    HG1  THR  87           1HG      THR  87   3.815  19.428   5.265
  714   1HG2  THR  87          1HG2      THR  87   5.309  21.913   7.330
  715   2HG2  THR  87          2HG2      THR  87   3.556  21.815   7.172
  716   3HG2  THR  87          3HG2      THR  87   4.581  21.660   5.745
  717    H    ILE  88           H        ILE  88   4.127  17.585   6.560
  718    HA   ILE  88           HA       ILE  88   5.837  15.443   7.627
  719    HB   ILE  88           HB       ILE  88   3.597  14.510   8.583
  720   1HG1  ILE  88          2HG1      ILE  88   2.043  16.243   9.360
  721   2HG1  ILE  88          1HG1      ILE  88   2.998  17.483   8.556
  722   1HG2  ILE  88          1HG2      ILE  88   4.358  15.112  10.631
  723   2HG2  ILE  88          2HG2      ILE  88   4.528  16.811  10.194
  724   3HG2  ILE  88          3HG2      ILE  88   5.748  15.644   9.686
  725   1HD1  ILE  88          1HD1      ILE  88   1.904  15.245   6.933
  726   2HD1  ILE  88          2HD1      ILE  88   2.232  16.919   6.481
  727   3HD1  ILE  88          3HD1      ILE  88   0.823  16.531   7.467
  728    H    TYR  89           H        TYR  89   4.222  16.431   4.940
  729    HA   TYR  89           HA       TYR  89   2.819  14.071   4.192
  730   1HB   TYR  89          2HB       TYR  89   3.826  16.453   2.644
  731   2HB   TYR  89          1HB       TYR  89   3.053  15.093   1.841
  732    HD1  TYR  89           1HD      TYR  89   2.486  17.619   4.523
  733    HD2  TYR  89           2HD      TYR  89   0.731  15.019   1.648
  734    HE1  TYR  89           1HE      TYR  89   0.285  18.609   4.982
  735    HE2  TYR  89           2HE      TYR  89  -1.476  16.002   2.100
  736    HH   TYR  89           HH       TYR  89  -2.589  17.222   4.046
  737    H    TYR  90           H        TYR  90   6.047  15.346   3.370
  738    HA   TYR  90           HA       TYR  90   6.780  13.179   1.696
  739   1HB   TYR  90          2HB       TYR  90   7.934  15.379   1.681
  740   2HB   TYR  90          1HB       TYR  90   8.611  15.012   3.264
  741    HD1  TYR  90           1HD      TYR  90   8.275  13.065   0.086
  742    HD2  TYR  90           2HD      TYR  90  10.876  14.571   3.097
  743    HE1  TYR  90           1HE      TYR  90  10.168  11.932  -0.993
  744    HE2  TYR  90           2HE      TYR  90  12.781  13.444   2.023
  745    HH   TYR  90           HH       TYR  90  12.732  12.284  -1.063
  746    H    LYS  91           H        LYS  91   7.376  13.846   5.134
  747    HA   LYS  91           HA       LYS  91   8.910  11.521   5.627
  748   1HB   LYS  91          2HB       LYS  91   8.590  13.679   7.071
  749   2HB   LYS  91          1HB       LYS  91   7.230  12.798   7.757
  750   1HG   LYS  91          2HG       LYS  91   8.731  12.007   9.207
  751   2HG   LYS  91          1HG       LYS  91   9.209  10.932   7.893
  752   1HD   LYS  91          2HD       LYS  91  11.238  11.843   8.516
  753   2HD   LYS  91          1HD       LYS  91  10.754  12.915   7.200
  754   1HE   LYS  91          2HE       LYS  91   9.624  13.951   9.573
  755   2HE   LYS  91          1HE       LYS  91  11.299  13.545   9.939
  756   1HZ   LYS  91          1HZ       LYS  91  10.874  15.848   9.051
  757   2HZ   LYS  91          2HZ       LYS  91  10.537  15.134   7.556
  758   3HZ   LYS  91          3HZ       LYS  91  12.071  14.961   8.248
  759    H    ALA  92           H        ALA  92   5.435  12.192   5.849
  760    HA   ALA  92           HA       ALA  92   4.609   9.855   7.131
  761   1HB   ALA  92          1HB       ALA  92   2.922  11.408   6.960
  762   2HB   ALA  92          2HB       ALA  92   2.458  10.273   5.692
  763   3HB   ALA  92          3HB       ALA  92   3.280  11.774   5.271
  764    H    ALA  93           H        ALA  93   5.066  10.499   3.663
  765    HA   ALA  93           HA       ALA  93   4.214   7.933   2.794
  766   1HB   ALA  93          1HB       ALA  93   5.998   9.906   1.367
  767   2HB   ALA  93          2HB       ALA  93   4.235   9.900   1.324
  768   3HB   ALA  93          3HB       ALA  93   5.139   8.552   0.633
  769    H    LYS  94           H        LYS  94   7.413   9.300   3.526
  770    HA   LYS  94           HA       LYS  94   8.900   7.049   2.653
  771   1HB   LYS  94          2HB       LYS  94   9.594   9.549   3.286
  772   2HB   LYS  94          1HB       LYS  94   9.988   8.777   4.816
  773   1HG   LYS  94          2HG       LYS  94  11.984   8.520   3.792
  774   2HG   LYS  94          1HG       LYS  94  11.200   7.061   3.182
  775   1HD   LYS  94          2HD       LYS  94  10.433   8.574   1.228
  776   2HD   LYS  94          1HD       LYS  94  11.706   9.664   1.780
  777   1HE   LYS  94          2HE       LYS  94  13.046   7.315   1.734
  778   2HE   LYS  94          1HE       LYS  94  11.893   7.052   0.427
  779   1HZ   LYS  94          1HZ       LYS  94  14.110   8.106  -0.165
  780   2HZ   LYS  94          2HZ       LYS  94  13.531   9.513   0.576
  781   3HZ   LYS  94          3HZ       LYS  94  12.721   8.866  -0.761
  782    H    LYS  95           H        LYS  95   7.842   8.064   5.904
  783    HA   LYS  95           HA       LYS  95   8.998   5.914   7.305
  784   1HB   LYS  95          2HB       LYS  95   7.372   8.159   7.921
  785   2HB   LYS  95          1HB       LYS  95   6.571   6.745   8.589
  786   1HG   LYS  95          2HG       LYS  95   8.770   6.150   9.664
  787   2HG   LYS  95          1HG       LYS  95   9.341   7.747   9.178
  788   1HD   LYS  95          2HD       LYS  95   8.057   8.825  10.710
  789   2HD   LYS  95          1HD       LYS  95   6.747   7.649  10.597
  790   1HE   LYS  95          2HE       LYS  95   9.354   7.330  12.082
  791   2HE   LYS  95          1HE       LYS  95   7.750   7.522  12.787
  792   1HZ   LYS  95          1HZ       LYS  95   7.977   5.274  12.902
  793   2HZ   LYS  95          2HZ       LYS  95   8.960   5.171  11.529
  794   3HZ   LYS  95          3HZ       LYS  95   7.290   5.378  11.359
  795    H    LEU  96           H        LEU  96   5.701   6.351   6.028
  796    HA   LEU  96           HA       LEU  96   4.695   3.876   6.907
  797   1HB   LEU  96          2HB       LEU  96   3.431   5.929   6.016
  798   2HB   LEU  96          1HB       LEU  96   3.746   5.272   4.422
  799    HG   LEU  96           HG       LEU  96   2.504   3.247   4.983
  800   1HD1  LEU  96          1HD1      LEU  96   2.622   2.739   7.184
  801   2HD1  LEU  96          2HD1      LEU  96   1.084   3.604   7.214
  802   3HD1  LEU  96          3HD1      LEU  96   2.570   4.427   7.692
  803   1HD2  LEU  96          1HD2      LEU  96   0.739   5.500   5.833
  804   2HD2  LEU  96          2HD2      LEU  96   0.394   4.148   4.756
  805   3HD2  LEU  96          3HD2      LEU  96   1.420   5.473   4.206
  806    H    LEU  97           H        LEU  97   6.539   4.771   4.046
  807    HA   LEU  97           HA       LEU  97   6.068   2.424   2.543
  808   1HB   LEU  97          2HB       LEU  97   7.064   4.512   1.623
  809   2HB   LEU  97          1HB       LEU  97   8.531   4.174   2.520
  810    HG   LEU  97           HG       LEU  97   8.536   3.588   0.047
  811   1HD1  LEU  97          1HD1      LEU  97   9.153   1.084   1.465
  812   2HD1  LEU  97          2HD1      LEU  97   9.905   2.542   2.110
  813   3HD1  LEU  97          3HD1      LEU  97  10.166   2.085   0.427
  814   1HD2  LEU  97          1HD2      LEU  97   6.266   2.582   0.039
  815   2HD2  LEU  97          2HD2      LEU  97   6.903   1.234   0.980
  816   3HD2  LEU  97          3HD2      LEU  97   7.507   1.536  -0.648
  817    H    HIS  98           H        HIS  98   8.565   3.279   4.920
  818    HA   HIS  98           HA       HIS  98  10.105   0.941   4.698
  819   1HB   HIS  98          2HB       HIS  98   9.806   3.114   6.686
  820   2HB   HIS  98          1HB       HIS  98  10.440   1.596   7.313
  821    HD1  HIS  98           1HD      HIS  98  12.566   0.645   5.806
  822    HD2  HIS  98           2HD      HIS  98  11.725   4.711   5.646
  823    HE1  HIS  98           1HE      HIS  98  14.666   1.731   4.952
  824    HE2  HIS  98           2HE      HIS  98  14.113   4.185   4.800
  825    H    SER  99           H        SER  99   7.331   1.737   6.762
  826    HA   SER  99           HA       SER  99   7.283  -0.777   8.112
  827   1HB   SER  99          2HB       SER  99   6.259   1.226   9.106
  828   2HB   SER  99          1HB       SER  99   5.098   1.301   7.779
  829    HG   SER  99           HG       SER  99   4.012   0.221   9.299
  830    H    GLY 100           H        GLY 100   5.750   0.525   5.213
  831   1HA   GLY 100          2HA       GLY 100   3.925  -1.617   4.807
  832   2HA   GLY 100          1HA       GLY 100   4.439  -0.452   3.597
  833    H    MET 101           H        MET 101   7.243  -1.024   3.712
  834    HA   MET 101           HA       MET 101   7.352  -3.213   1.911
  835   1HB   MET 101          2HB       MET 101   9.096  -1.140   2.756
  836   2HB   MET 101          1HB       MET 101   9.941  -2.657   3.026
  837   1HG   MET 101          2HG       MET 101   8.727  -2.800   0.477
  838   2HG   MET 101          1HG       MET 101   9.543  -1.241   0.600
  839   1HE   MET 101          1HE       MET 101  10.484  -2.147  -1.421
  840   2HE   MET 101          2HE       MET 101  11.526  -3.559  -1.587
  841   3HE   MET 101          3HE       MET 101  12.214  -2.005  -1.117
  842    H    LYS 102           H        LYS 102   8.428  -2.844   5.296
  843    HA   LYS 102           HA       LYS 102   9.423  -5.465   5.563
  844   1HB   LYS 102          2HB       LYS 102   9.082  -5.048   8.067
  845   2HB   LYS 102          1HB       LYS 102  10.179  -3.985   7.202
  846   1HG   LYS 102          2HG       LYS 102   9.053  -2.242   7.942
  847   2HG   LYS 102          1HG       LYS 102   7.616  -2.809   7.097
  848   1HD   LYS 102          2HD       LYS 102   6.799  -2.757   9.227
  849   2HD   LYS 102          1HD       LYS 102   7.444  -4.399   9.206
  850   1HE   LYS 102          2HE       LYS 102   8.184  -3.412  11.228
  851   2HE   LYS 102          1HE       LYS 102   9.579  -3.453  10.150
  852   1HZ   LYS 102          1HZ       LYS 102   7.850  -1.074  10.576
  853   2HZ   LYS 102          2HZ       LYS 102   9.272  -1.135   9.663
  854   3HZ   LYS 102          3HZ       LYS 102   9.336  -1.330  11.341
  855    H    ILE 103           H        ILE 103   6.200  -4.123   6.391
  856    HA   ILE 103           HA       ILE 103   5.162  -6.506   7.454
  857    HB   ILE 103           HB       ILE 103   2.937  -5.549   7.026
  858   1HG1  ILE 103          2HG1      ILE 103   3.202  -2.985   6.264
  859   2HG1  ILE 103          1HG1      ILE 103   4.507  -3.702   5.328
  860   1HG2  ILE 103          1HG2      ILE 103   5.022  -3.831   8.316
  861   2HG2  ILE 103          2HG2      ILE 103   3.895  -4.953   9.075
  862   3HG2  ILE 103          3HG2      ILE 103   3.304  -3.441   8.391
  863   1HD1  ILE 103          1HD1      ILE 103   3.077  -4.497   3.837
  864   2HD1  ILE 103          2HD1      ILE 103   1.810  -3.592   4.661
  865   3HD1  ILE 103          3HD1      ILE 103   2.113  -5.275   5.090
  866    H    LEU 104           H        LEU 104   5.272  -5.268   4.138
  867    HA   LEU 104           HA       LEU 104   3.621  -7.276   3.008
  868   1HB   LEU 104          2HB       LEU 104   5.376  -5.139   2.025
  869   2HB   LEU 104          1HB       LEU 104   5.262  -6.520   0.952
  870    HG   LEU 104           HG       LEU 104   2.704  -5.441   1.995
  871   1HD1  LEU 104          1HD1      LEU 104   4.469  -3.582   1.137
  872   2HD1  LEU 104          2HD1      LEU 104   2.720  -3.449   0.965
  873   3HD1  LEU 104          3HD1      LEU 104   3.697  -4.031  -0.382
  874   1HD2  LEU 104          1HD2      LEU 104   1.830  -6.269   0.038
  875   2HD2  LEU 104          2HD2      LEU 104   3.167  -7.385   0.311
  876   3HD2  LEU 104          3HD2      LEU 104   3.339  -6.071  -0.853
  877    H    SER 105           H        SER 105   7.068  -7.116   3.712
  878    HA   SER 105           HA       SER 105   7.946  -9.279   2.166
  879   1HB   SER 105          2HB       SER 105   8.968  -8.128   4.763
  880   2HB   SER 105          1HB       SER 105   9.772  -9.463   3.941
  881    HG   SER 105           HG       SER 105   9.931  -6.850   3.419
  882    H    GLN 106           H        GLN 106   6.276  -9.190   5.249
  883    HA   GLN 106           HA       GLN 106   6.799 -11.786   6.148
  884   1HB   GLN 106          2HB       GLN 106   4.248 -10.206   6.522
  885   2HB   GLN 106          1HB       GLN 106   4.781 -11.566   7.501
  886   1HG   GLN 106          2HG       GLN 106   6.799 -10.201   8.114
  887   2HG   GLN 106          1HG       GLN 106   6.018  -8.836   7.319
  888   1HE2  GLN 106          1HE2      GLN 106   3.989  -8.097   8.165
  889   2HE2  GLN 106          2HE2      GLN 106   3.616  -8.328   9.836
  890    H    GLU 107           H        GLU 107   4.456 -10.594   3.797
  891    HA   GLU 107           HA       GLU 107   2.950 -12.983   3.571
  892   1HB   GLU 107          2HB       GLU 107   3.351 -10.708   1.624
  893   2HB   GLU 107          1HB       GLU 107   2.196 -12.013   1.392
  894   1HG   GLU 107          2HG       GLU 107   1.680 -11.015   3.945
  895   2HG   GLU 107          1HG       GLU 107   1.961  -9.601   2.932
  896    H    ARG 108           H        ARG 108   5.809 -11.759   1.868
  897    HA   ARG 108           HA       ARG 108   5.907 -14.163   0.216
  898   1HB   ARG 108          2HB       ARG 108   7.763 -13.051  -0.946
  899   2HB   ARG 108          1HB       ARG 108   6.333 -12.031  -0.886
  900   1HG   ARG 108          2HG       ARG 108   7.336 -10.805   1.016
  901   2HG   ARG 108          1HG       ARG 108   8.794 -11.779   0.831
  902   1HD   ARG 108          2HD       ARG 108   8.557 -10.922  -1.681
  903   2HD   ARG 108          1HD       ARG 108   7.737  -9.591  -0.867
  904    HE   ARG 108           HE       ARG 108   9.750  -8.905  -0.010
  905   1HH1  ARG 108          1HH1      ARG 108  10.118 -12.140  -1.309
  906   2HH1  ARG 108          2HH1      ARG 108  11.843 -12.135  -1.165
  907   1HH2  ARG 108          1HH2      ARG 108  12.024  -8.908   0.185
  908   2HH2  ARG 108          2HH2      ARG 108  12.926 -10.298  -0.314
  909    H    LEU 109           H        LEU 109   6.211 -14.865   2.815
  910    HA   LEU 109           HA       LEU 109   9.045 -15.031   3.445
  911   1HB   LEU 109          2HB       LEU 109   6.828 -14.843   5.007
  912   2HB   LEU 109          1HB       LEU 109   7.120 -16.571   5.055
  913    HG   LEU 109           HG       LEU 109   9.599 -15.738   5.606
  914   1HD1  LEU 109          1HD1      LEU 109   9.555 -13.796   7.059
  915   2HD1  LEU 109          2HD1      LEU 109   7.835 -13.572   6.741
  916   3HD1  LEU 109          3HD1      LEU 109   9.007 -13.364   5.440
  917   1HD2  LEU 109          1HD2      LEU 109   7.998 -17.213   6.921
  918   2HD2  LEU 109          2HD2      LEU 109   7.501 -15.742   7.757
  919   3HD2  LEU 109          3HD2      LEU 109   9.174 -16.288   7.852
  920    H    GLU 110           H        GLU 110  10.316 -16.738   3.035
  921    HA   GLU 110           HA       GLU 110   9.211 -19.390   2.723
  922   1HB   GLU 110          2HB       GLU 110  10.295 -19.711   0.475
  923   2HB   GLU 110          1HB       GLU 110   8.876 -18.674   0.477
  924   1HG   GLU 110          2HG       GLU 110  10.148 -16.736   0.165
  925   2HG   GLU 110          1HG       GLU 110  11.644 -17.538   0.640
  926    H    HIS 111           H        HIS 111  10.705 -19.014   4.741
  927    HA   HIS 111           HA       HIS 111  13.528 -19.130   4.222
  928   1HB   HIS 111          2HB       HIS 111  11.794 -19.081   6.609
  929   2HB   HIS 111          1HB       HIS 111  13.308 -19.960   6.802
  930    HD1  HIS 111           1HD      HIS 111  12.724 -16.736   4.875
  931    HD2  HIS 111           2HD      HIS 111  14.833 -18.164   8.162
  932    HE1  HIS 111           1HE      HIS 111  14.170 -14.822   5.632
  933    HE2  HIS 111           2HE      HIS 111  15.386 -15.687   7.662
  934    H    HIS 112           H        HIS 112  10.972 -21.480   4.756
  935    HA   HIS 112           HA       HIS 112  12.904 -23.668   4.888
  936   1HB   HIS 112          2HB       HIS 112  10.902 -23.573   6.422
  937   2HB   HIS 112          1HB       HIS 112   9.889 -23.848   5.010
  938    HD1  HIS 112           1HD      HIS 112  12.606 -25.571   7.021
  939    HD2  HIS 112           2HD      HIS 112   9.590 -26.478   4.306
  940    HE1  HIS 112           1HE      HIS 112  12.484 -28.083   6.962
  941    HE2  HIS 112           2HE      HIS 112  10.645 -28.609   5.322
  942    H    HIS 113           H        HIS 113  13.011 -22.369   2.478
  943    HA   HIS 113           HA       HIS 113  11.339 -23.647   0.525
  944   1HB   HIS 113          2HB       HIS 113  12.762 -22.494  -1.132
  945   2HB   HIS 113          1HB       HIS 113  12.171 -21.395   0.106
  946    HD1  HIS 113           1HD      HIS 113  15.264 -22.722  -1.398
  947    HD2  HIS 113           2HD      HIS 113  14.189 -20.515   1.954
  948    HE1  HIS 113           1HE      HIS 113  17.400 -21.697  -0.554
  949    HE2  HIS 113           2HE      HIS 113  16.723 -20.355   1.469
  950    H    HIS 114           H        HIS 114  11.603 -25.625  -0.254
  951    HA   HIS 114           HA       HIS 114  13.733 -27.301   0.478
  952   1HB   HIS 114          2HB       HIS 114  11.251 -27.584  -0.864
  953   2HB   HIS 114          1HB       HIS 114  12.478 -28.273  -1.920
  954    HD1  HIS 114           1HD      HIS 114  14.243 -29.282   0.616
  955    HD2  HIS 114           2HD      HIS 114  10.252 -30.116  -0.196
  956    HE1  HIS 114           1HE      HIS 114  13.738 -31.416   1.846
  957    HE2  HIS 114           2HE      HIS 114  11.361 -31.971   1.227
  958    H    HIS 115           H        HIS 115  15.755 -27.294  -0.216
  959    HA   HIS 115           HA       HIS 115  16.378 -26.110  -2.819
  960   1HB   HIS 115          2HB       HIS 115  17.513 -25.428  -0.596
  961   2HB   HIS 115          1HB       HIS 115  18.415 -26.931  -0.765
  962    HD1  HIS 115           1HD      HIS 115  20.687 -26.159  -1.426
  963    HD2  HIS 115           2HD      HIS 115  17.696 -24.298  -3.628
  964    HE1  HIS 115           1HE      HIS 115  21.883 -24.811  -3.181
  965    HE2  HIS 115           2HE      HIS 115  20.048 -23.789  -4.572
  966    H    HIS 116           H        HIS 116  17.250 -27.222  -4.470
  967    HA   HIS 116           HA       HIS 116  17.986 -28.927  -5.763
  968   1HB   HIS 116          2HB       HIS 116  19.727 -29.083  -3.888
  969   2HB   HIS 116          1HB       HIS 116  18.778 -30.428  -3.269
  970    HD1  HIS 116           1HD      HIS 116  18.262 -31.210  -6.510
  971    HD2  HIS 116           2HD      HIS 116  21.785 -31.065  -4.308
  972    HE1  HIS 116           1HE      HIS 116  19.872 -32.708  -7.722
  973    HE2  HIS 116           2HE      HIS 116  21.956 -32.702  -6.306
  Start of MODEL   12
    1   1H    MET   0          1HT       MET   0  -4.018 -32.124  -4.579
    2   2H    MET   0          2HT       MET   0  -5.388 -32.931  -5.222
    3   3H    MET   0          3HT       MET   0  -5.528 -32.017  -3.775
    4    HA   MET   0           HA       MET   0  -5.100 -31.071  -6.522
    5   1HB   MET   0          2HB       MET   0  -7.249 -30.877  -4.434
    6   2HB   MET   0          1HB       MET   0  -7.107 -29.623  -5.659
    7   1HG   MET   0          2HG       MET   0  -7.379 -32.549  -6.291
    8   2HG   MET   0          1HG       MET   0  -8.740 -31.433  -6.180
    9   1HE   MET   0          1HE       MET   0  -7.954 -33.282  -8.690
   10   2HE   MET   0          2HE       MET   0  -6.217 -33.050  -8.485
   11   3HE   MET   0          3HE       MET   0  -7.014 -32.493  -9.957
   12    H    GLU   1           H        GLU   1  -5.697 -29.680  -3.283
   13    HA   GLU   1           HA       GLU   1  -4.798 -27.916  -2.181
   14   1HB   GLU   1          2HB       GLU   1  -2.644 -29.348  -3.124
   15   2HB   GLU   1          1HB       GLU   1  -2.309 -27.725  -3.712
   16   1HG   GLU   1          2HG       GLU   1  -3.173 -27.656  -0.967
   17   2HG   GLU   1          1HG       GLU   1  -1.803 -28.746  -1.172
   18    H    GLU   2           H        GLU   2  -6.348 -26.495  -3.081
   19    HA   GLU   2           HA       GLU   2  -5.144 -24.451  -4.791
   20   1HB   GLU   2          2HB       GLU   2  -7.446 -26.151  -5.494
   21   2HB   GLU   2          1HB       GLU   2  -7.701 -24.431  -5.744
   22   1HG   GLU   2          2HG       GLU   2  -6.474 -24.440  -7.586
   23   2HG   GLU   2          1HG       GLU   2  -5.134 -25.236  -6.765
   24    H    VAL   3           H        VAL   3  -5.813 -24.660  -1.914
   25    HA   VAL   3           HA       VAL   3  -7.764 -22.455  -1.753
   26    HB   VAL   3           HB       VAL   3  -7.920 -23.249   0.726
   27   1HG1  VAL   3          1HG1      VAL   3  -9.851 -24.594   0.172
   28   2HG1  VAL   3          2HG1      VAL   3  -9.258 -24.819  -1.473
   29   3HG1  VAL   3          3HG1      VAL   3  -9.749 -23.216  -0.924
   30   1HG2  VAL   3          1HG2      VAL   3  -6.089 -24.995   0.266
   31   2HG2  VAL   3          2HG2      VAL   3  -7.376 -25.928  -0.500
   32   3HG2  VAL   3          3HG2      VAL   3  -7.501 -25.488   1.202
   33    H    GLU   4           H        GLU   4  -4.519 -23.117  -1.466
   34    HA   GLU   4           HA       GLU   4  -3.855 -21.643   0.863
   35   1HB   GLU   4          2HB       GLU   4  -2.438 -23.028  -1.238
   36   2HB   GLU   4          1HB       GLU   4  -1.672 -21.484  -0.889
   37   1HG   GLU   4          2HG       GLU   4  -2.330 -22.784   1.566
   38   2HG   GLU   4          1HG       GLU   4  -1.439 -23.895   0.528
   39    H    GLN   5           H        GLN   5  -4.938 -20.626  -2.205
   40    HA   GLN   5           HA       GLN   5  -3.553 -18.108  -2.256
   41   1HB   GLN   5          2HB       GLN   5  -5.981 -18.975  -3.831
   42   2HB   GLN   5          1HB       GLN   5  -4.945 -17.599  -4.184
   43   1HG   GLN   5          2HG       GLN   5  -3.244 -18.908  -4.990
   44   2HG   GLN   5          1HG       GLN   5  -3.739 -20.316  -4.051
   45   1HE2  GLN   5          1HE2      GLN   5  -4.206 -21.877  -5.433
   46   2HE2  GLN   5          2HE2      GLN   5  -5.198 -21.722  -6.837
   47    H    THR   6           H        THR   6  -6.594 -19.282  -0.983
   48    HA   THR   6           HA       THR   6  -7.935 -16.823  -0.760
   49    HB   THR   6           HB       THR   6  -8.503 -18.712   1.412
   50    HG1  THR   6           1HG      THR   6  -9.066 -20.412   0.167
   51   1HG2  THR   6          1HG2      THR   6 -10.400 -18.223  -0.795
   52   2HG2  THR   6          2HG2      THR   6  -9.947 -16.840   0.201
   53   3HG2  THR   6          3HG2      THR   6 -10.668 -18.268   0.947
   54    HA   PRO   7           HA       PRO   7  -6.137 -16.814   3.886
   55   1HB   PRO   7          2HB       PRO   7  -3.524 -18.025   3.107
   56   2HB   PRO   7          1HB       PRO   7  -4.407 -18.139   4.630
   57   1HG   PRO   7          2HG       PRO   7  -4.408 -20.174   2.933
   58   2HG   PRO   7          1HG       PRO   7  -5.887 -19.729   3.806
   59   1HD   PRO   7          2HD       PRO   7  -5.148 -19.238   0.958
   60   2HD   PRO   7          1HD       PRO   7  -6.731 -19.611   1.664
   61    H    LEU   8           H        LEU   8  -4.173 -16.489   0.959
   62    HA   LEU   8           HA       LEU   8  -2.401 -14.511   1.795
   63   1HB   LEU   8          2HB       LEU   8  -3.543 -15.265  -0.866
   64   2HB   LEU   8          1HB       LEU   8  -2.560 -13.822  -0.730
   65    HG   LEU   8           HG       LEU   8  -1.508 -16.431   0.297
   66   1HD1  LEU   8          1HD1      LEU   8  -0.996 -17.269  -1.736
   67   2HD1  LEU   8          2HD1      LEU   8  -0.807 -15.677  -2.470
   68   3HD1  LEU   8          3HD1      LEU   8  -2.420 -16.353  -2.229
   69   1HD2  LEU   8          1HD2      LEU   8   0.143 -14.431  -1.123
   70   2HD2  LEU   8          2HD2      LEU   8   0.500 -15.386   0.316
   71   3HD2  LEU   8          3HD2      LEU   8  -0.513 -13.947   0.441
   72    H    GLN   9           H        GLN   9  -5.727 -14.251   0.649
   73    HA   GLN   9           HA       GLN   9  -5.810 -11.442   0.357
   74   1HB   GLN   9          2HB       GLN   9  -7.509 -13.380  -0.308
   75   2HB   GLN   9          1HB       GLN   9  -8.248 -12.922   1.219
   76   1HG   GLN   9          2HG       GLN   9  -7.771 -10.514  -0.087
   77   2HG   GLN   9          1HG       GLN   9  -8.341 -11.609  -1.345
   78   1HE2  GLN   9          1HE2      GLN   9 -10.291 -10.539  -1.588
   79   2HE2  GLN   9          2HE2      GLN   9 -11.545 -10.610  -0.402
   80    H    GLU  10           H        GLU  10  -6.556 -13.578   3.092
   81    HA   GLU  10           HA       GLU  10  -7.522 -11.613   4.853
   82   1HB   GLU  10          2HB       GLU  10  -7.686 -14.125   5.124
   83   2HB   GLU  10          1HB       GLU  10  -6.012 -14.103   5.658
   84   1HG   GLU  10          2HG       GLU  10  -6.768 -13.787   7.714
   85   2HG   GLU  10          1HG       GLU  10  -7.261 -12.170   7.213
   86    H    ALA  11           H        ALA  11  -4.243 -12.918   4.398
   87    HA   ALA  11           HA       ALA  11  -2.976 -11.422   6.415
   88   1HB   ALA  11          1HB       ALA  11  -1.575 -13.068   5.718
   89   2HB   ALA  11          2HB       ALA  11  -0.953 -11.770   4.702
   90   3HB   ALA  11          3HB       ALA  11  -2.085 -12.946   4.035
   91    H    LEU  12           H        LEU  12  -3.548 -10.738   2.985
   92    HA   LEU  12           HA       LEU  12  -2.087  -8.346   2.828
   93   1HB   LEU  12          2HB       LEU  12  -3.612  -9.879   1.091
   94   2HB   LEU  12          1HB       LEU  12  -4.488  -8.363   1.178
   95    HG   LEU  12           HG       LEU  12  -1.561  -8.178   0.741
   96   1HD1  LEU  12          1HD1      LEU  12  -2.289  -8.404  -1.811
   97   2HD1  LEU  12          2HD1      LEU  12  -3.414  -9.564  -1.104
   98   3HD1  LEU  12          3HD1      LEU  12  -1.678  -9.764  -0.871
   99   1HD2  LEU  12          1HD2      LEU  12  -3.635  -6.409   0.740
  100   2HD2  LEU  12          2HD2      LEU  12  -3.447  -6.745  -0.981
  101   3HD2  LEU  12          3HD2      LEU  12  -2.079  -6.145  -0.045
  102    H    ASN  13           H        ASN  13  -5.507  -8.939   3.608
  103    HA   ASN  13           HA       ASN  13  -6.322  -6.266   3.832
  104   1HB   ASN  13          2HB       ASN  13  -7.322  -8.849   4.980
  105   2HB   ASN  13          1HB       ASN  13  -8.018  -7.329   5.529
  106   1HD2  ASN  13          1HD2      ASN  13  -8.986  -9.662   3.840
  107   2HD2  ASN  13          2HD2      ASN  13  -9.679  -8.904   2.451
  108    H    GLN  14           H        GLN  14  -4.722  -8.405   6.127
  109    HA   GLN  14           HA       GLN  14  -5.023  -6.782   8.421
  110   1HB   GLN  14          2HB       GLN  14  -4.144  -9.278   8.065
  111   2HB   GLN  14          1HB       GLN  14  -2.586  -8.468   8.106
  112   1HG   GLN  14          2HG       GLN  14  -3.038  -9.193  10.304
  113   2HG   GLN  14          1HG       GLN  14  -3.280  -7.446  10.287
  114   1HE2  GLN  14          1HE2      GLN  14  -5.212 -10.364   9.603
  115   2HE2  GLN  14          2HE2      GLN  14  -6.590  -9.863  10.517
  116    H    LEU  15           H        LEU  15  -2.477  -6.997   5.954
  117    HA   LEU  15           HA       LEU  15  -0.641  -5.218   7.072
  118   1HB   LEU  15          2HB       LEU  15   0.023  -6.530   5.200
  119   2HB   LEU  15          1HB       LEU  15  -1.282  -5.908   4.209
  120    HG   LEU  15           HG       LEU  15   0.694  -3.927   5.194
  121   1HD1  LEU  15          1HD1      LEU  15   1.924  -6.071   4.416
  122   2HD1  LEU  15          2HD1      LEU  15   2.428  -4.507   3.779
  123   3HD1  LEU  15          3HD1      LEU  15   1.416  -5.570   2.803
  124   1HD2  LEU  15          1HD2      LEU  15  -1.014  -3.064   3.834
  125   2HD2  LEU  15          2HD2      LEU  15  -0.887  -4.394   2.683
  126   3HD2  LEU  15          3HD2      LEU  15   0.393  -3.185   2.779
  127    H    MET  16           H        MET  16  -3.392  -4.604   4.909
  128    HA   MET  16           HA       MET  16  -3.028  -1.835   4.607
  129   1HB   MET  16          2HB       MET  16  -5.672  -3.303   4.628
  130   2HB   MET  16          1HB       MET  16  -5.330  -1.757   3.864
  131   1HG   MET  16          2HG       MET  16  -4.322  -4.469   3.052
  132   2HG   MET  16          1HG       MET  16  -5.418  -3.415   2.165
  133   1HE   MET  16          1HE       MET  16  -4.538  -0.943   1.160
  134   2HE   MET  16          2HE       MET  16  -2.889  -0.393   1.459
  135   3HE   MET  16          3HE       MET  16  -3.997  -0.640   2.808
  136    H    ARG  17           H        ARG  17  -4.830  -3.703   7.028
  137    HA   ARG  17           HA       ARG  17  -5.946  -1.464   8.357
  138   1HB   ARG  17          2HB       ARG  17  -5.347  -4.128   9.641
  139   2HB   ARG  17          1HB       ARG  17  -6.598  -2.975  10.083
  140   1HG   ARG  17          2HG       ARG  17  -6.932  -3.773   7.348
  141   2HG   ARG  17          1HG       ARG  17  -6.822  -5.193   8.390
  142   1HD   ARG  17          2HD       ARG  17  -8.661  -4.508   9.691
  143   2HD   ARG  17          1HD       ARG  17  -8.614  -2.869   9.043
  144    HE   ARG  17           HE       ARG  17  -9.926  -3.575   7.323
  145   1HH1  ARG  17          1HH1      ARG  17  -8.381  -6.392   8.718
  146   2HH1  ARG  17          2HH1      ARG  17  -9.244  -7.513   7.720
  147   1HH2  ARG  17          1HH2      ARG  17 -11.060  -5.057   6.011
  148   2HH2  ARG  17          2HH2      ARG  17 -10.767  -6.754   6.182
  149    H    GLN  18           H        GLN  18  -3.030  -3.408   8.985
  150    HA   GLN  18           HA       GLN  18  -2.221  -2.096  11.329
  151   1HB   GLN  18          2HB       GLN  18  -1.108  -4.030   9.514
  152   2HB   GLN  18          1HB       GLN  18   0.117  -2.835   9.918
  153   1HG   GLN  18          2HG       GLN  18   0.497  -4.133  11.691
  154   2HG   GLN  18          1HG       GLN  18  -0.936  -3.358  12.365
  155   1HE2  GLN  18          1HE2      GLN  18   0.211  -6.183  10.609
  156   2HE2  GLN  18          2HE2      GLN  18  -1.069  -7.235  11.098
  157    H    LEU  19           H        LEU  19  -1.469  -1.432   7.924
  158    HA   LEU  19           HA       LEU  19   0.252   0.770   8.462
  159   1HB   LEU  19          2HB       LEU  19  -1.127  -0.295   6.032
  160   2HB   LEU  19          1HB       LEU  19  -0.372   1.286   5.972
  161    HG   LEU  19           HG       LEU  19   1.287  -0.950   7.003
  162   1HD1  LEU  19          1HD1      LEU  19   1.281  -0.688   4.072
  163   2HD1  LEU  19          2HD1      LEU  19  -0.112  -1.514   4.772
  164   3HD1  LEU  19          3HD1      LEU  19   1.518  -2.109   5.089
  165   1HD2  LEU  19          1HD2      LEU  19   3.032   0.254   5.822
  166   2HD2  LEU  19          2HD2      LEU  19   2.124   1.353   6.859
  167   3HD2  LEU  19          3HD2      LEU  19   1.835   1.341   5.121
  168    H    GLN  20           H        GLN  20  -3.207   0.460   7.820
  169    HA   GLN  20           HA       GLN  20  -3.734   3.232   7.521
  170   1HB   GLN  20          2HB       GLN  20  -5.387   0.793   7.988
  171   2HB   GLN  20          1HB       GLN  20  -6.123   2.360   8.293
  172   1HG   GLN  20          2HG       GLN  20  -5.395   3.002   5.955
  173   2HG   GLN  20          1HG       GLN  20  -5.022   1.298   5.709
  174   1HE2  GLN  20          1HE2      GLN  20  -7.273   3.547   5.114
  175   2HE2  GLN  20          2HE2      GLN  20  -8.692   2.563   5.068
  176    H    ARG  21           H        ARG  21  -3.640   1.070  10.307
  177    HA   ARG  21           HA       ARG  21  -4.711   2.993  12.140
  178   1HB   ARG  21          2HB       ARG  21  -3.894   0.224  12.220
  179   2HB   ARG  21          1HB       ARG  21  -3.257   1.094  13.609
  180   1HG   ARG  21          2HG       ARG  21  -5.434   1.750  14.302
  181   2HG   ARG  21          1HG       ARG  21  -6.151   1.181  12.794
  182   1HD   ARG  21          2HD       ARG  21  -6.384  -0.876  13.604
  183   2HD   ARG  21          1HD       ARG  21  -4.691  -0.941  14.084
  184    HE   ARG  21           HE       ARG  21  -5.309  -0.453  16.234
  185   1HH1  ARG  21          1HH1      ARG  21  -8.018   0.233  14.116
  186   2HH1  ARG  21          2HH1      ARG  21  -9.128   0.497  15.417
  187   1HH2  ARG  21          1HH2      ARG  21  -6.783  -0.101  17.944
  188   2HH2  ARG  21          2HH2      ARG  21  -8.427   0.310  17.590
  189    H    LYS  22           H        LYS  22  -1.611   2.547  10.753
  190    HA   LYS  22           HA       LYS  22   0.139   3.285  12.758
  191   1HB   LYS  22          2HB       LYS  22   0.309   2.882  10.018
  192   2HB   LYS  22          1HB       LYS  22   0.790   4.561  10.214
  193   1HG   LYS  22          2HG       LYS  22   2.069   2.877  12.178
  194   2HG   LYS  22          1HG       LYS  22   2.379   2.309  10.537
  195   1HD   LYS  22          2HD       LYS  22   4.072   3.819  10.716
  196   2HD   LYS  22          1HD       LYS  22   2.806   4.898  10.130
  197   1HE   LYS  22          2HE       LYS  22   3.476   6.132  11.913
  198   2HE   LYS  22          1HE       LYS  22   2.327   5.086  12.748
  199   1HZ   LYS  22          1HZ       LYS  22   4.817   5.426  13.564
  200   2HZ   LYS  22          2HZ       LYS  22   5.066   4.106  12.537
  201   3HZ   LYS  22          3HZ       LYS  22   3.967   3.986  13.817
  202    H    ASP  23           H        ASP  23  -0.896   5.641  10.262
  203    HA   ASP  23           HA       ASP  23  -2.094   7.578  11.675
  204   1HB   ASP  23          2HB       ASP  23   0.641   7.417  12.579
  205   2HB   ASP  23          1HB       ASP  23   0.311   8.996  11.881
  206    HA   PRO  24           HA       PRO  24   0.418   9.810   8.113
  207   1HB   PRO  24          2HB       PRO  24   1.756   7.436   6.948
  208   2HB   PRO  24          1HB       PRO  24   2.380   9.067   7.207
  209   1HG   PRO  24          2HG       PRO  24   3.160   7.047   8.761
  210   2HG   PRO  24          1HG       PRO  24   2.886   8.664   9.432
  211   1HD   PRO  24          2HD       PRO  24   1.145   6.242   9.571
  212   2HD   PRO  24          1HD       PRO  24   1.495   7.460  10.813
  213    H    SER  25           H        SER  25  -1.032   6.640   7.903
  214    HA   SER  25           HA       SER  25  -1.684   6.522   5.202
  215   1HB   SER  25          2HB       SER  25  -3.554   5.046   5.897
  216   2HB   SER  25          1HB       SER  25  -2.035   4.620   6.683
  217    HG   SER  25           HG       SER  25  -4.354   5.737   7.758
  218    H    ALA  26           H        ALA  26  -3.278   8.229   7.850
  219    HA   ALA  26           HA       ALA  26  -5.704   8.888   6.720
  220   1HB   ALA  26          1HB       ALA  26  -5.654  10.913   8.137
  221   2HB   ALA  26          2HB       ALA  26  -3.951  10.601   8.477
  222   3HB   ALA  26          3HB       ALA  26  -5.181   9.452   9.005
  223    H    PHE  27           H        PHE  27  -2.551  10.283   6.050
  224    HA   PHE  27           HA       PHE  27  -3.417  12.549   4.603
  225   1HB   PHE  27          2HB       PHE  27  -0.831  10.988   4.485
  226   2HB   PHE  27          1HB       PHE  27  -1.099  12.514   3.649
  227    HD1  PHE  27           1HD      PHE  27  -0.856  10.935   6.982
  228    HD2  PHE  27           2HD      PHE  27  -0.972  14.576   4.784
  229    HE1  PHE  27           1HE      PHE  27  -0.166  12.165   8.995
  230    HE2  PHE  27           2HE      PHE  27  -0.279  15.814   6.795
  231    HZ   PHE  27           HZ       PHE  27   0.126  14.609   8.905
  232    H    PHE  28           H        PHE  28  -2.950   9.193   3.707
  233    HA   PHE  28           HA       PHE  28  -4.236   9.689   1.150
  234   1HB   PHE  28          2HB       PHE  28  -2.412   8.111   0.104
  235   2HB   PHE  28          1HB       PHE  28  -2.123   9.839   0.233
  236    HD1  PHE  28           2HD      PHE  28  -1.938   7.413   3.016
  237    HD2  PHE  28           1HD      PHE  28   0.225   9.842   0.278
  238    HE1  PHE  28           2HE      PHE  28   0.135   6.967   4.267
  239    HE2  PHE  28           1HE      PHE  28   2.303   9.401   1.520
  240    HZ   PHE  28           HZ       PHE  28   2.261   7.962   3.518
  241    H    SER  29           H        SER  29  -5.696   8.572   2.873
  242    HA   SER  29           HA       SER  29  -5.453   5.651   2.518
  243   1HB   SER  29          2HB       SER  29  -5.160   6.058   4.832
  244   2HB   SER  29          1HB       SER  29  -6.445   7.262   4.869
  245    HG   SER  29           HG       SER  29  -7.895   5.722   5.036
  246    H    PHE  30           H        PHE  30  -7.220   8.323   1.603
  247    HA   PHE  30           HA       PHE  30  -9.523   6.654   0.907
  248   1HB   PHE  30          2HB       PHE  30 -10.577   7.835   2.559
  249   2HB   PHE  30          1HB       PHE  30  -9.462   9.186   2.459
  250    HD1  PHE  30           2HD      PHE  30  -9.773  10.912   0.735
  251    HD2  PHE  30           1HD      PHE  30 -12.631   7.829   1.375
  252    HE1  PHE  30           2HE      PHE  30 -11.462  12.229  -0.483
  253    HE2  PHE  30           1HE      PHE  30 -14.325   9.137   0.163
  254    HZ   PHE  30           HZ       PHE  30 -13.740  11.340  -0.768
  255    HA   PRO  31           HA       PRO  31  -8.805   7.903  -3.275
  256   1HB   PRO  31          2HB       PRO  31 -11.756   8.366  -3.365
  257   2HB   PRO  31          1HB       PRO  31 -10.727   7.442  -4.466
  258   1HG   PRO  31          2HG       PRO  31 -12.262   6.203  -2.685
  259   2HG   PRO  31          1HG       PRO  31 -10.633   5.610  -3.057
  260   1HD   PRO  31          2HD       PRO  31 -11.615   7.073  -0.655
  261   2HD   PRO  31          1HD       PRO  31 -10.349   5.840  -0.787
  262    H    VAL  32           H        VAL  32  -7.787   9.833  -3.404
  263    HA   VAL  32           HA       VAL  32  -8.605  12.252  -2.340
  264    HB   VAL  32           HB       VAL  32  -7.044  13.353  -3.897
  265   1HG1  VAL  32          1HG1      VAL  32  -5.261  12.692  -2.690
  266   2HG1  VAL  32          2HG1      VAL  32  -5.515  10.984  -3.051
  267   3HG1  VAL  32          3HG1      VAL  32  -6.469  11.772  -1.793
  268   1HG2  VAL  32          1HG2      VAL  32  -7.637  11.248  -5.552
  269   2HG2  VAL  32          2HG2      VAL  32  -5.999  10.884  -5.009
  270   3HG2  VAL  32          3HG2      VAL  32  -6.348  12.425  -5.795
  271    H    THR  33           H        THR  33  -9.067  14.289  -3.593
  272    HA   THR  33           HA       THR  33 -10.943  13.825  -5.806
  273    HB   THR  33           HB       THR  33 -11.696  16.000  -3.966
  274    HG1  THR  33           1HG      THR  33 -11.191  14.585  -2.363
  275   1HG2  THR  33          1HG2      THR  33 -13.684  13.968  -4.401
  276   2HG2  THR  33          2HG2      THR  33 -12.963  14.498  -5.921
  277   3HG2  THR  33          3HG2      THR  33 -13.700  15.676  -4.834
  278    H    ASP  34           H        ASP  34 -11.750  16.429  -6.234
  279    HA   ASP  34           HA       ASP  34  -9.509  17.510  -7.609
  280   1HB   ASP  34          2HB       ASP  34 -12.231  17.690  -7.875
  281   2HB   ASP  34          1HB       ASP  34 -11.816  19.285  -7.255
  282    H    PHE  35           H        PHE  35 -10.295  17.735  -4.375
  283    HA   PHE  35           HA       PHE  35  -8.808  20.260  -4.129
  284   1HB   PHE  35          2HB       PHE  35 -10.195  20.933  -2.250
  285   2HB   PHE  35          1HB       PHE  35 -11.201  20.663  -3.665
  286    HD1  PHE  35           1HD      PHE  35 -12.368  18.366  -3.839
  287    HD2  PHE  35           2HD      PHE  35 -10.713  19.914  -0.233
  288    HE1  PHE  35           1HE      PHE  35 -13.784  16.835  -2.534
  289    HE2  PHE  35           2HE      PHE  35 -12.126  18.382   1.075
  290    HZ   PHE  35           HZ       PHE  35 -13.664  16.841  -0.074
  291    H    ILE  36           H        ILE  36  -9.720  17.187  -2.641
  292    HA   ILE  36           HA       ILE  36  -8.060  17.338  -0.386
  293    HB   ILE  36           HB       ILE  36  -9.222  15.020  -1.912
  294   1HG1  ILE  36          2HG1      ILE  36  -9.756  16.171   0.835
  295   2HG1  ILE  36          1HG1      ILE  36 -10.754  16.408  -0.596
  296   1HG2  ILE  36          1HG2      ILE  36  -8.501  13.582  -0.010
  297   2HG2  ILE  36          2HG2      ILE  36  -7.470  14.908   0.529
  298   3HG2  ILE  36          3HG2      ILE  36  -7.185  14.150  -1.037
  299   1HD1  ILE  36          1HD1      ILE  36 -11.250  14.563   1.276
  300   2HD1  ILE  36          2HD1      ILE  36 -10.255  13.613   0.173
  301   3HD1  ILE  36          3HD1      ILE  36 -11.725  14.392  -0.414
  302    H    ALA  37           H        ALA  37  -7.438  16.360  -3.713
  303    HA   ALA  37           HA       ALA  37  -4.673  15.654  -3.036
  304   1HB   ALA  37          1HB       ALA  37  -6.529  14.927  -5.203
  305   2HB   ALA  37          2HB       ALA  37  -5.241  13.990  -4.446
  306   3HB   ALA  37          3HB       ALA  37  -4.855  15.175  -5.693
  307    HA   PRO  38           HA       PRO  38  -3.293  19.527  -4.713
  308   1HB   PRO  38          2HB       PRO  38  -0.609  18.617  -4.935
  309   2HB   PRO  38          1HB       PRO  38  -1.315  19.561  -3.625
  310   1HG   PRO  38          2HG       PRO  38  -0.415  16.947  -3.415
  311   2HG   PRO  38          1HG       PRO  38  -1.536  17.733  -2.295
  312   1HD   PRO  38          2HD       PRO  38  -2.097  15.837  -4.528
  313   2HD   PRO  38          1HD       PRO  38  -2.898  15.997  -2.949
  314    H    GLY  39           H        GLY  39  -3.608  16.904  -6.466
  315   1HA   GLY  39          2HA       GLY  39  -3.938  17.418  -8.902
  316   2HA   GLY  39          1HA       GLY  39  -2.276  17.993  -8.858
  317    H    TYR  40           H        TYR  40  -3.567  15.136  -7.226
  318    HA   TYR  40           HA       TYR  40  -1.493  13.436  -7.905
  319   1HB   TYR  40          2HB       TYR  40  -4.284  13.052  -6.955
  320   2HB   TYR  40          1HB       TYR  40  -3.491  11.645  -7.652
  321    HD1  TYR  40           2HD      TYR  40  -3.161  14.226  -5.009
  322    HD2  TYR  40           1HD      TYR  40  -1.929  10.389  -6.385
  323    HE1  TYR  40           2HE      TYR  40  -2.044  13.821  -2.861
  324    HE2  TYR  40           1HE      TYR  40  -0.805   9.978  -4.242
  325    HH   TYR  40           HH       TYR  40  -1.295  11.105  -1.659
  326    H    SER  41           H        SER  41  -4.676  13.702  -9.498
  327    HA   SER  41           HA       SER  41  -4.075  11.873 -11.585
  328   1HB   SER  41          2HB       SER  41  -6.372  12.973 -10.712
  329   2HB   SER  41          1HB       SER  41  -6.076  14.000 -12.117
  330    HG   SER  41           HG       SER  41  -6.302  11.172 -12.058
  331    H    MET  42           H        MET  42  -3.650  15.355 -11.277
  332    HA   MET  42           HA       MET  42  -3.142  15.864 -14.023
  333   1HB   MET  42          2HB       MET  42  -3.616  17.429 -11.849
  334   2HB   MET  42          1HB       MET  42  -1.890  17.676 -12.069
  335   1HG   MET  42          2HG       MET  42  -2.326  19.150 -13.649
  336   2HG   MET  42          1HG       MET  42  -3.057  17.874 -14.621
  337   1HE   MET  42          1HE       MET  42  -6.333  17.499 -13.081
  338   2HE   MET  42          2HE       MET  42  -5.213  17.019 -14.355
  339   3HE   MET  42          3HE       MET  42  -6.495  18.179 -14.698
  340    H    ILE  43           H        ILE  43  -1.186  14.434 -11.601
  341    HA   ILE  43           HA       ILE  43   1.219  14.882 -13.250
  342    HB   ILE  43           HB       ILE  43   1.329  15.910 -10.981
  343   1HG1  ILE  43          2HG1      ILE  43   3.502  14.448 -10.371
  344   2HG1  ILE  43          1HG1      ILE  43   3.227  13.871 -12.010
  345   1HG2  ILE  43          1HG2      ILE  43   1.907  13.905  -9.247
  346   2HG2  ILE  43          2HG2      ILE  43   0.601  13.183 -10.181
  347   3HG2  ILE  43          3HG2      ILE  43   0.348  14.718  -9.358
  348   1HD1  ILE  43          1HD1      ILE  43   4.437  16.292 -11.135
  349   2HD1  ILE  43          2HD1      ILE  43   3.004  16.673 -12.091
  350   3HD1  ILE  43          3HD1      ILE  43   4.274  15.657 -12.773
  351    H    ILE  44           H        ILE  44  -0.758  12.572 -11.535
  352    HA   ILE  44           HA       ILE  44   0.649  10.412 -12.872
  353    HB   ILE  44           HB       ILE  44   0.935  10.926 -10.135
  354   1HG1  ILE  44          2HG1      ILE  44   1.734   8.286 -10.623
  355   2HG1  ILE  44          1HG1      ILE  44   1.868   9.106 -12.170
  356   1HG2  ILE  44          1HG2      ILE  44  -0.753   8.464 -10.542
  357   2HG2  ILE  44          2HG2      ILE  44  -1.251   9.935  -9.706
  358   3HG2  ILE  44          3HG2      ILE  44   0.045   8.944  -9.046
  359   1HD1  ILE  44          1HD1      ILE  44   3.005  10.350  -9.710
  360   2HD1  ILE  44          2HD1      ILE  44   3.457  10.578 -11.400
  361   3HD1  ILE  44          3HD1      ILE  44   3.883   9.084 -10.568
  362    H    LYS  45           H        LYS  45  -0.714   9.410 -14.037
  363    HA   LYS  45           HA       LYS  45  -3.433   9.682 -14.175
  364   1HB   LYS  45          2HB       LYS  45  -1.498   7.659 -15.137
  365   2HB   LYS  45          1HB       LYS  45  -3.190   7.185 -15.151
  366   1HG   LYS  45          2HG       LYS  45  -3.676   8.513 -16.882
  367   2HG   LYS  45          1HG       LYS  45  -2.702   9.846 -16.256
  368   1HD   LYS  45          2HD       LYS  45  -0.838   7.921 -16.982
  369   2HD   LYS  45          1HD       LYS  45  -2.052   7.850 -18.260
  370   1HE   LYS  45          2HE       LYS  45  -1.786  10.156 -18.759
  371   2HE   LYS  45          1HE       LYS  45  -0.825  10.428 -17.306
  372   1HZ   LYS  45          1HZ       LYS  45   0.756   8.715 -18.395
  373   2HZ   LYS  45          2HZ       LYS  45   0.767  10.315 -18.944
  374   3HZ   LYS  45          3HZ       LYS  45  -0.047   9.125 -19.828
  375    H    HIS  46           H        HIS  46  -1.931   6.678 -12.901
  376    HA   HIS  46           HA       HIS  46  -4.317   6.365 -11.200
  377   1HB   HIS  46          2HB       HIS  46  -2.926   4.535 -12.980
  378   2HB   HIS  46          1HB       HIS  46  -3.097   3.868 -11.361
  379    HD1  HIS  46           1HD      HIS  46  -4.632   2.965 -14.052
  380    HD2  HIS  46           2HD      HIS  46  -6.180   5.183 -10.895
  381    HE1  HIS  46           1HE      HIS  46  -7.122   2.627 -14.149
  382    HE2  HIS  46           2HE      HIS  46  -8.033   3.939 -12.202
  383    HA   PRO  47           HA       PRO  47  -1.033   6.741  -8.042
  384   1HB   PRO  47          2HB       PRO  47  -2.521   8.047  -6.225
  385   2HB   PRO  47          1HB       PRO  47  -1.803   8.878  -7.609
  386   1HG   PRO  47          2HG       PRO  47  -4.617   7.994  -7.179
  387   2HG   PRO  47          1HG       PRO  47  -4.003   9.456  -7.971
  388   1HD   PRO  47          2HD       PRO  47  -4.889   7.179  -9.287
  389   2HD   PRO  47          1HD       PRO  47  -3.834   8.420  -9.987
  390    H    MET  48           H        MET  48  -4.364   5.685  -7.728
  391    HA   MET  48           HA       MET  48  -5.433   4.184  -6.411
  392   1HB   MET  48          2HB       MET  48  -3.211   2.953  -7.627
  393   2HB   MET  48          1HB       MET  48  -3.283   2.324  -5.987
  394   1HG   MET  48          2HG       MET  48  -4.648   0.834  -7.014
  395   2HG   MET  48          1HG       MET  48  -5.840   2.057  -6.584
  396   1HE   MET  48          1HE       MET  48  -7.701   1.377  -9.031
  397   2HE   MET  48          2HE       MET  48  -6.714   0.167  -8.211
  398   3HE   MET  48          3HE       MET  48  -6.668   0.296  -9.969
  399    H    ASP  49           H        ASP  49  -5.738   5.394  -4.539
  400    HA   ASP  49           HA       ASP  49  -3.802   5.681  -2.489
  401   1HB   ASP  49          2HB       ASP  49  -6.816   5.853  -2.257
  402   2HB   ASP  49          1HB       ASP  49  -5.645   6.499  -1.111
  403    H    PHE  50           H        PHE  50  -4.388   4.930  -0.168
  404    HA   PHE  50           HA       PHE  50  -4.051   2.159  -0.003
  405   1HB   PHE  50          2HB       PHE  50  -4.140   4.354   1.812
  406   2HB   PHE  50          1HB       PHE  50  -5.207   3.103   2.436
  407    HD1  PHE  50           1HD      PHE  50  -1.818   3.330   0.875
  408    HD2  PHE  50           2HD      PHE  50  -4.279   1.627   3.900
  409    HE1  PHE  50           1HE      PHE  50   0.122   2.110   1.765
  410    HE2  PHE  50           2HE      PHE  50  -2.343   0.404   4.794
  411    HZ   PHE  50           HZ       PHE  50  -0.137   0.645   3.725
  412    H    SER  51           H        SER  51  -6.986   4.126   0.157
  413    HA   SER  51           HA       SER  51  -8.692   1.987   0.984
  414   1HB   SER  51          2HB       SER  51  -9.677   4.010   1.490
  415   2HB   SER  51          1HB       SER  51  -9.092   4.783   0.020
  416    HG   SER  51           HG       SER  51 -11.292   3.029   0.332
  417    H    THR  52           H        THR  52  -7.844   3.420  -2.148
  418    HA   THR  52           HA       THR  52  -9.687   2.023  -3.732
  419    HB   THR  52           HB       THR  52  -6.982   2.578  -4.853
  420    HG1  THR  52           1HG      THR  52  -8.751   4.626  -3.994
  421   1HG2  THR  52          1HG2      THR  52  -9.138   1.955  -6.145
  422   2HG2  THR  52          2HG2      THR  52  -8.079   3.222  -6.763
  423   3HG2  THR  52          3HG2      THR  52  -9.557   3.650  -5.901
  424    H    MET  53           H        MET  53  -6.315   1.230  -2.900
  425    HA   MET  53           HA       MET  53  -6.238  -1.224  -4.293
  426   1HB   MET  53          2HB       MET  53  -4.236  -1.718  -2.934
  427   2HB   MET  53          1HB       MET  53  -4.187  -0.112  -3.641
  428   1HG   MET  53          2HG       MET  53  -4.968   0.791  -1.452
  429   2HG   MET  53          1HG       MET  53  -4.772  -0.828  -0.784
  430   1HE   MET  53          1HE       MET  53  -2.919  -2.113  -0.730
  431   2HE   MET  53          2HE       MET  53  -1.505  -1.413   0.059
  432   3HE   MET  53          3HE       MET  53  -1.453  -1.801  -1.661
  433    H    LYS  54           H        LYS  54  -7.094  -0.414  -0.946
  434    HA   LYS  54           HA       LYS  54  -7.334  -3.015   0.060
  435   1HB   LYS  54          2HB       LYS  54  -7.627  -0.533   1.126
  436   2HB   LYS  54          1HB       LYS  54  -9.305  -1.051   1.051
  437   1HG   LYS  54          2HG       LYS  54  -7.216  -2.819   2.260
  438   2HG   LYS  54          1HG       LYS  54  -7.946  -1.509   3.190
  439   1HD   LYS  54          2HD       LYS  54  -9.625  -3.533   1.740
  440   2HD   LYS  54          1HD       LYS  54  -9.001  -3.843   3.361
  441   1HE   LYS  54          2HE       LYS  54 -10.039  -1.447   3.816
  442   2HE   LYS  54          1HE       LYS  54 -11.056  -1.897   2.448
  443   1HZ   LYS  54          1HZ       LYS  54 -12.289  -2.814   4.076
  444   2HZ   LYS  54          2HZ       LYS  54 -10.989  -2.980   5.144
  445   3HZ   LYS  54          3HZ       LYS  54 -11.212  -4.109   3.904
  446    H    GLU  55           H        GLU  55  -9.708  -0.966  -1.604
  447    HA   GLU  55           HA       GLU  55 -11.917  -2.696  -1.332
  448   1HB   GLU  55          2HB       GLU  55 -11.683  -0.205  -2.229
  449   2HB   GLU  55          1HB       GLU  55 -11.626  -1.020  -3.785
  450   1HG   GLU  55          2HG       GLU  55 -13.765  -2.235  -2.735
  451   2HG   GLU  55          1HG       GLU  55 -13.862  -0.691  -1.890
  452    H    LYS  56           H        LYS  56  -9.342  -2.477  -3.731
  453    HA   LYS  56           HA       LYS  56 -10.400  -4.357  -5.560
  454   1HB   LYS  56          2HB       LYS  56  -7.732  -3.113  -5.086
  455   2HB   LYS  56          1HB       LYS  56  -7.803  -4.552  -6.090
  456   1HG   LYS  56          2HG       LYS  56  -9.787  -3.084  -7.194
  457   2HG   LYS  56          1HG       LYS  56  -8.695  -1.810  -6.644
  458   1HD   LYS  56          2HD       LYS  56  -6.843  -2.914  -7.825
  459   2HD   LYS  56          1HD       LYS  56  -7.959  -4.148  -8.404
  460   1HE   LYS  56          2HE       LYS  56  -8.699  -1.335  -8.929
  461   2HE   LYS  56          1HE       LYS  56  -7.312  -1.964  -9.817
  462   1HZ   LYS  56          1HZ       LYS  56 -10.129  -2.698 -10.008
  463   2HZ   LYS  56          2HZ       LYS  56  -9.004  -3.948 -10.201
  464   3HZ   LYS  56          3HZ       LYS  56  -8.952  -2.597 -11.220
  465    H    ILE  57           H        ILE  57  -8.197  -4.671  -2.789
  466    HA   ILE  57           HA       ILE  57  -7.486  -7.357  -3.160
  467    HB   ILE  57           HB       ILE  57  -7.821  -5.970  -0.493
  468   1HG1  ILE  57          2HG1      ILE  57  -5.153  -6.244  -1.776
  469   2HG1  ILE  57          1HG1      ILE  57  -6.229  -5.025  -2.444
  470   1HG2  ILE  57          1HG2      ILE  57  -6.684  -8.556  -1.359
  471   2HG2  ILE  57          2HG2      ILE  57  -7.446  -8.103   0.165
  472   3HG2  ILE  57          3HG2      ILE  57  -5.770  -7.658  -0.148
  473   1HD1  ILE  57          1HD1      ILE  57  -6.276  -4.767   0.374
  474   2HD1  ILE  57          2HD1      ILE  57  -5.647  -3.639  -0.827
  475   3HD1  ILE  57          3HD1      ILE  57  -4.593  -4.877  -0.142
  476    H    LYS  58           H        LYS  58 -10.267  -5.907  -1.517
  477    HA   LYS  58           HA       LYS  58 -11.319  -8.225  -0.354
  478   1HB   LYS  58          2HB       LYS  58 -12.001  -5.718  -0.108
  479   2HB   LYS  58          1HB       LYS  58 -13.104  -6.071  -1.432
  480   1HG   LYS  58          2HG       LYS  58 -14.005  -7.959  -0.040
  481   2HG   LYS  58          1HG       LYS  58 -13.047  -7.326   1.299
  482   1HD   LYS  58          2HD       LYS  58 -14.914  -6.143   1.747
  483   2HD   LYS  58          1HD       LYS  58 -14.307  -5.075   0.480
  484   1HE   LYS  58          2HE       LYS  58 -16.623  -5.541   0.047
  485   2HE   LYS  58          1HE       LYS  58 -15.645  -6.355  -1.171
  486   1HZ   LYS  58          1HZ       LYS  58 -16.500  -7.798   1.257
  487   2HZ   LYS  58          2HZ       LYS  58 -16.072  -8.420  -0.257
  488   3HZ   LYS  58          3HZ       LYS  58 -17.556  -7.635  -0.055
  489    H    ASN  59           H        ASN  59 -11.287  -7.225  -3.679
  490    HA   ASN  59           HA       ASN  59 -13.348  -9.188  -4.391
  491   1HB   ASN  59          2HB       ASN  59 -12.170  -6.795  -5.728
  492   2HB   ASN  59          1HB       ASN  59 -12.786  -8.090  -6.747
  493   1HD2  ASN  59          1HD2      ASN  59 -13.624  -5.742  -4.285
  494   2HD2  ASN  59          2HD2      ASN  59 -15.322  -5.738  -4.602
  495    H    ASN  60           H        ASN  60 -10.437  -9.705  -3.569
  496    HA   ASN  60           HA       ASN  60  -8.784 -11.162  -4.076
  497   1HB   ASN  60          2HB       ASN  60 -11.108 -12.328  -5.116
  498   2HB   ASN  60          1HB       ASN  60  -9.912 -12.468  -6.404
  499   1HD2  ASN  60          1HD2      ASN  60  -9.784 -12.652  -2.857
  500   2HD2  ASN  60          2HD2      ASN  60  -8.976 -14.179  -2.798
  501    H    ASP  61           H        ASP  61  -9.120  -8.545  -5.530
  502    HA   ASP  61           HA       ASP  61  -7.941  -8.939  -8.119
  503   1HB   ASP  61          2HB       ASP  61  -9.332  -6.897  -7.006
  504   2HB   ASP  61          1HB       ASP  61  -7.689  -6.300  -6.796
  505    H    TYR  62           H        TYR  62  -6.831  -8.183  -4.880
  506    HA   TYR  62           HA       TYR  62  -4.050  -8.372  -5.823
  507   1HB   TYR  62          2HB       TYR  62  -5.214  -6.687  -3.604
  508   2HB   TYR  62          1HB       TYR  62  -3.488  -6.946  -3.815
  509    HD1  TYR  62           2HD      TYR  62  -2.861  -6.602  -6.512
  510    HD2  TYR  62           1HD      TYR  62  -5.898  -4.604  -4.301
  511    HE1  TYR  62           2HE      TYR  62  -2.769  -4.725  -8.094
  512    HE2  TYR  62           1HE      TYR  62  -5.814  -2.721  -5.879
  513    HH   TYR  62           HH       TYR  62  -5.121  -2.256  -8.168
  514    H    GLN  63           H        GLN  63  -3.456 -10.397  -5.360
  515    HA   GLN  63           HA       GLN  63  -3.563 -11.262  -2.584
  516   1HB   GLN  63          2HB       GLN  63  -4.385 -13.454  -3.125
  517   2HB   GLN  63          1HB       GLN  63  -5.505 -12.275  -3.789
  518   1HG   GLN  63          2HG       GLN  63  -5.142 -12.923  -5.897
  519   2HG   GLN  63          1HG       GLN  63  -3.408 -13.113  -5.647
  520   1HE2  GLN  63          1HE2      GLN  63  -6.512 -14.660  -5.521
  521   2HE2  GLN  63          2HE2      GLN  63  -5.928 -16.275  -5.340
  522    H    SER  64           H        SER  64  -1.623 -10.294  -4.721
  523    HA   SER  64           HA       SER  64   0.342 -12.444  -4.381
  524   1HB   SER  64          2HB       SER  64   0.729 -10.637  -6.689
  525   2HB   SER  64          1HB       SER  64   0.958 -12.380  -6.571
  526    HG   SER  64           HG       SER  64  -1.047 -12.700  -7.211
  527    H    ILE  65           H        ILE  65   2.277 -11.838  -3.636
  528    HA   ILE  65           HA       ILE  65   2.618  -9.513  -2.191
  529    HB   ILE  65           HB       ILE  65   5.107 -10.047  -2.333
  530   1HG1  ILE  65          2HG1      ILE  65   4.912 -12.745  -3.094
  531   2HG1  ILE  65          1HG1      ILE  65   4.109 -11.837  -4.368
  532   1HG2  ILE  65          1HG2      ILE  65   3.916 -10.716  -0.423
  533   2HG2  ILE  65          2HG2      ILE  65   4.793 -12.147  -0.962
  534   3HG2  ILE  65          3HG2      ILE  65   3.071 -11.989  -1.303
  535   1HD1  ILE  65          1HD1      ILE  65   6.809 -11.020  -3.389
  536   2HD1  ILE  65          2HD1      ILE  65   6.037 -10.691  -4.940
  537   3HD1  ILE  65          3HD1      ILE  65   6.621 -12.315  -4.573
  538    H    GLU  66           H        GLU  66   3.671 -10.233  -5.507
  539    HA   GLU  66           HA       GLU  66   5.017  -7.757  -5.900
  540   1HB   GLU  66          2HB       GLU  66   5.257  -9.957  -7.227
  541   2HB   GLU  66          1HB       GLU  66   3.834  -9.420  -8.110
  542   1HG   GLU  66          2HG       GLU  66   5.232  -8.364  -9.468
  543   2HG   GLU  66          1HG       GLU  66   5.486  -7.214  -8.156
  544    H    GLU  67           H        GLU  67   1.730  -8.898  -6.535
  545    HA   GLU  67           HA       GLU  67   0.856  -6.658  -8.022
  546   1HB   GLU  67          2HB       GLU  67  -0.196  -9.070  -7.538
  547   2HB   GLU  67          1HB       GLU  67  -1.094  -8.145  -6.343
  548   1HG   GLU  67          2HG       GLU  67  -2.487  -8.053  -8.156
  549   2HG   GLU  67          1HG       GLU  67  -1.583  -6.550  -8.328
  550    H    LEU  68           H        LEU  68   0.517  -7.468  -4.565
  551    HA   LEU  68           HA       LEU  68  -0.890  -5.091  -3.896
  552   1HB   LEU  68          2HB       LEU  68  -0.691  -5.754  -1.641
  553   2HB   LEU  68          1HB       LEU  68  -0.875  -7.227  -2.570
  554    HG   LEU  68           HG       LEU  68   1.799  -7.158  -2.459
  555   1HD1  LEU  68          1HD1      LEU  68   1.669  -6.448   0.283
  556   2HD1  LEU  68          2HD1      LEU  68   1.018  -5.107  -0.660
  557   3HD1  LEU  68          3HD1      LEU  68   2.637  -5.720  -1.000
  558   1HD2  LEU  68          1HD2      LEU  68   1.579  -8.598  -0.405
  559   2HD2  LEU  68          2HD2      LEU  68   0.575  -9.061  -1.776
  560   3HD2  LEU  68          3HD2      LEU  68  -0.138  -8.202  -0.411
  561    H    LYS  69           H        LYS  69   2.533  -5.981  -3.847
  562    HA   LYS  69           HA       LYS  69   3.411  -3.615  -2.538
  563   1HB   LYS  69          2HB       LYS  69   4.654  -5.896  -2.947
  564   2HB   LYS  69          1HB       LYS  69   5.172  -5.118  -4.438
  565   1HG   LYS  69          2HG       LYS  69   5.683  -3.198  -2.543
  566   2HG   LYS  69          1HG       LYS  69   6.068  -4.701  -1.701
  567   1HD   LYS  69          2HD       LYS  69   8.060  -4.528  -2.716
  568   2HD   LYS  69          1HD       LYS  69   7.211  -5.117  -4.145
  569   1HE   LYS  69          2HE       LYS  69   7.575  -3.201  -5.209
  570   2HE   LYS  69          1HE       LYS  69   6.830  -2.287  -3.898
  571   1HZ   LYS  69          1HZ       LYS  69   8.940  -1.444  -3.888
  572   2HZ   LYS  69          2HZ       LYS  69   9.665  -2.897  -4.360
  573   3HZ   LYS  69          3HZ       LYS  69   9.132  -2.698  -2.768
  574    H    ASP  70           H        ASP  70   2.969  -4.533  -5.925
  575    HA   ASP  70           HA       ASP  70   4.239  -2.336  -7.121
  576   1HB   ASP  70          2HB       ASP  70   3.317  -4.484  -8.236
  577   2HB   ASP  70          1HB       ASP  70   1.780  -3.628  -8.292
  578    H    ASN  71           H        ASN  71   0.859  -2.810  -6.150
  579    HA   ASN  71           HA       ASN  71  -0.021  -0.266  -7.050
  580   1HB   ASN  71          2HB       ASN  71  -1.327  -2.488  -6.387
  581   2HB   ASN  71          1HB       ASN  71  -1.461  -1.655  -4.841
  582   1HD2  ASN  71          1HD2      ASN  71  -1.727  -0.813  -8.292
  583   2HD2  ASN  71          2HD2      ASN  71  -3.203   0.067  -8.130
  584    H    PHE  72           H        PHE  72   0.803  -1.484  -3.787
  585    HA   PHE  72           HA       PHE  72   0.322   0.925  -2.415
  586   1HB   PHE  72          2HB       PHE  72   0.521  -1.026  -1.095
  587   2HB   PHE  72          1HB       PHE  72   2.055  -1.470  -1.826
  588    HD1  PHE  72           1HD      PHE  72   0.968   1.774  -0.357
  589    HD2  PHE  72           2HD      PHE  72   3.550  -1.599  -0.069
  590    HE1  PHE  72           1HE      PHE  72   2.159   2.847   1.509
  591    HE2  PHE  72           2HE      PHE  72   4.744  -0.531   1.798
  592    HZ   PHE  72           HZ       PHE  72   4.049   1.695   2.589
  593    H    LYS  73           H        LYS  73   3.293  -0.393  -3.844
  594    HA   LYS  73           HA       LYS  73   4.991   1.731  -3.107
  595   1HB   LYS  73          2HB       LYS  73   5.688  -0.559  -3.926
  596   2HB   LYS  73          1HB       LYS  73   5.288  -0.021  -5.551
  597   1HG   LYS  73          2HG       LYS  73   7.166   1.632  -3.944
  598   2HG   LYS  73          1HG       LYS  73   7.744   0.105  -4.613
  599   1HD   LYS  73          2HD       LYS  73   6.232   1.810  -6.479
  600   2HD   LYS  73          1HD       LYS  73   7.780   2.465  -5.943
  601   1HE   LYS  73          2HE       LYS  73   8.622   0.036  -6.508
  602   2HE   LYS  73          1HE       LYS  73   7.193   0.017  -7.541
  603   1HZ   LYS  73          1HZ       LYS  73   9.580   1.737  -7.716
  604   2HZ   LYS  73          2HZ       LYS  73   8.113   2.256  -8.378
  605   3HZ   LYS  73          3HZ       LYS  73   8.828   0.827  -8.930
  606    H    LEU  74           H        LEU  74   2.863   1.245  -5.895
  607    HA   LEU  74           HA       LEU  74   3.826   3.315  -7.520
  608   1HB   LEU  74          2HB       LEU  74   1.517   1.584  -7.445
  609   2HB   LEU  74          1HB       LEU  74   1.037   3.211  -7.891
  610    HG   LEU  74           HG       LEU  74   3.312   1.837  -9.291
  611   1HD1  LEU  74          1HD1      LEU  74   1.407   1.431 -11.054
  612   2HD1  LEU  74          2HD1      LEU  74   0.388   1.389  -9.616
  613   3HD1  LEU  74          3HD1      LEU  74   1.732   0.258  -9.778
  614   1HD2  LEU  74          1HD2      LEU  74   2.999   3.434 -10.957
  615   2HD2  LEU  74          2HD2      LEU  74   2.776   4.345  -9.462
  616   3HD2  LEU  74          3HD2      LEU  74   1.372   3.834 -10.402
  617    H    MET  75           H        MET  75   1.282   3.367  -5.012
  618    HA   MET  75           HA       MET  75   0.647   6.106  -5.367
  619   1HB   MET  75          2HB       MET  75  -0.632   4.206  -4.072
  620   2HB   MET  75          1HB       MET  75   0.320   4.779  -2.708
  621   1HG   MET  75          2HG       MET  75  -0.731   7.077  -3.922
  622   2HG   MET  75          1HG       MET  75  -2.044   5.902  -3.880
  623   1HE   MET  75          1HE       MET  75   1.000   6.321  -1.595
  624   2HE   MET  75          2HE       MET  75   0.346   7.011  -0.111
  625   3HE   MET  75          3HE       MET  75   0.498   8.011  -1.554
  626    H    CYS  76           H        CYS  76   2.898   4.412  -3.219
  627    HA   CYS  76           HA       CYS  76   3.689   6.624  -1.681
  628   1HB   CYS  76          2HB       CYS  76   4.624   3.897  -2.123
  629   2HB   CYS  76          1HB       CYS  76   5.952   5.021  -1.851
  630    HG   CYS  76           HG       CYS  76   4.585   5.672   0.418
  631    H    THR  77           H        THR  77   4.988   5.313  -4.722
  632    HA   THR  77           HA       THR  77   7.108   7.205  -4.909
  633    HB   THR  77           HB       THR  77   5.858   5.688  -7.203
  634    HG1  THR  77           1HG      THR  77   7.655   4.820  -5.207
  635   1HG2  THR  77          1HG2      THR  77   7.977   7.475  -7.160
  636   2HG2  THR  77          2HG2      THR  77   7.576   6.328  -8.437
  637   3HG2  THR  77          3HG2      THR  77   8.728   5.882  -7.180
  638    H    ASN  78           H        ASN  78   3.925   6.984  -6.520
  639    HA   ASN  78           HA       ASN  78   4.142   9.327  -8.035
  640   1HB   ASN  78          2HB       ASN  78   1.633   8.061  -6.910
  641   2HB   ASN  78          1HB       ASN  78   1.707   9.206  -8.236
  642   1HD2  ASN  78          1HD2      ASN  78   0.424   7.130  -8.950
  643   2HD2  ASN  78          2HD2      ASN  78   1.343   5.998  -9.857
  644    H    ALA  79           H        ALA  79   2.919   8.794  -4.747
  645    HA   ALA  79           HA       ALA  79   2.011  11.461  -4.349
  646   1HB   ALA  79          1HB       ALA  79   1.319   9.407  -3.031
  647   2HB   ALA  79          2HB       ALA  79   1.647  10.865  -2.096
  648   3HB   ALA  79          3HB       ALA  79   2.846   9.571  -2.161
  649    H    MET  80           H        MET  80   5.043   9.768  -3.604
  650    HA   MET  80           HA       MET  80   6.256  11.887  -2.177
  651   1HB   MET  80          2HB       MET  80   7.156   9.348  -3.399
  652   2HB   MET  80          1HB       MET  80   8.394  10.579  -3.196
  653   1HG   MET  80          2HG       MET  80   7.902  10.716  -0.824
  654   2HG   MET  80          1HG       MET  80   6.616   9.524  -1.009
  655   1HE   MET  80          1HE       MET  80  10.119  10.133  -2.233
  656   2HE   MET  80          2HE       MET  80   9.977   8.640  -3.164
  657   3HE   MET  80          3HE       MET  80  11.053   8.712  -1.768
  658    H    ILE  81           H        ILE  81   6.507  10.910  -5.605
  659    HA   ILE  81           HA       ILE  81   8.327  12.880  -6.389
  660    HB   ILE  81           HB       ILE  81   7.730  10.956  -7.807
  661   1HG1  ILE  81          2HG1      ILE  81   7.478  12.329  -9.981
  662   2HG1  ILE  81          1HG1      ILE  81   7.513  13.739  -8.930
  663   1HG2  ILE  81          1HG2      ILE  81   5.143  12.440  -8.218
  664   2HG2  ILE  81          2HG2      ILE  81   5.363  10.837  -7.519
  665   3HG2  ILE  81          3HG2      ILE  81   5.695  11.106  -9.228
  666   1HD1  ILE  81          1HD1      ILE  81   9.685  12.221  -8.118
  667   2HD1  ILE  81          2HD1      ILE  81   9.717  13.677  -9.113
  668   3HD1  ILE  81          3HD1      ILE  81   9.676  12.089  -9.877
  669    H    TYR  82           H        TYR  82   4.803  13.036  -6.054
  670    HA   TYR  82           HA       TYR  82   4.846  15.820  -6.973
  671   1HB   TYR  82          2HB       TYR  82   3.054  13.914  -7.560
  672   2HB   TYR  82          1HB       TYR  82   2.298  14.551  -6.103
  673    HD1  TYR  82           1HD      TYR  82   4.182  16.342  -8.787
  674    HD2  TYR  82           2HD      TYR  82   0.440  15.750  -6.844
  675    HE1  TYR  82           1HE      TYR  82   3.213  18.180 -10.099
  676    HE2  TYR  82           2HE      TYR  82  -0.533  17.584  -8.158
  677    HH   TYR  82           HH       TYR  82   0.815  18.829 -10.878
  678    H    ASN  83           H        ASN  83   6.081  15.124  -4.451
  679    HA   ASN  83           HA       ASN  83   4.885  17.129  -2.821
  680   1HB   ASN  83          2HB       ASN  83   3.689  14.712  -2.460
  681   2HB   ASN  83          1HB       ASN  83   4.983  14.614  -1.270
  682   1HD2  ASN  83          1HD2      ASN  83   1.864  15.416  -1.636
  683   2HD2  ASN  83          2HD2      ASN  83   1.696  16.586  -0.376
  684    H    LYS  84           H        LYS  84   6.953  18.011  -2.962
  685    HA   LYS  84           HA       LYS  84   9.329  16.633  -2.251
  686   1HB   LYS  84          2HB       LYS  84   8.550  19.402  -2.899
  687   2HB   LYS  84          1HB       LYS  84   9.924  19.271  -1.812
  688   1HG   LYS  84          2HG       LYS  84  10.742  17.528  -3.618
  689   2HG   LYS  84          1HG       LYS  84   9.665  18.467  -4.656
  690   1HD   LYS  84          2HD       LYS  84  10.947  20.488  -3.495
  691   2HD   LYS  84          1HD       LYS  84  12.202  19.260  -3.327
  692   1HE   LYS  84          2HE       LYS  84  10.855  20.047  -5.911
  693   2HE   LYS  84          1HE       LYS  84  12.448  20.587  -5.386
  694   1HZ   LYS  84          1HZ       LYS  84  13.382  18.606  -5.876
  695   2HZ   LYS  84          2HZ       LYS  84  12.086  18.492  -6.955
  696   3HZ   LYS  84          3HZ       LYS  84  12.013  17.706  -5.460
  697    HA   PRO  85           HA       PRO  85   9.537  16.812   2.151
  698   1HB   PRO  85          2HB       PRO  85  11.884  18.134   2.698
  699   2HB   PRO  85          1HB       PRO  85  11.788  16.443   2.202
  700   1HG   PRO  85          2HG       PRO  85  12.382  18.871   0.560
  701   2HG   PRO  85          1HG       PRO  85  13.149  17.272   0.512
  702   1HD   PRO  85          2HD       PRO  85  11.333  18.011  -1.316
  703   2HD   PRO  85          1HD       PRO  85  11.420  16.342  -0.721
  704    H    GLU  86           H        GLU  86   7.677  18.325   1.987
  705    HA   GLU  86           HA       GLU  86   8.176  21.133   2.457
  706   1HB   GLU  86          2HB       GLU  86   5.854  19.426   1.854
  707   2HB   GLU  86          1HB       GLU  86   5.502  20.766   2.936
  708   1HG   GLU  86          2HG       GLU  86   6.736  22.194   1.163
  709   2HG   GLU  86          1HG       GLU  86   6.441  20.817   0.102
  710    H    THR  87           H        THR  87   6.414  18.609   4.271
  711    HA   THR  87           HA       THR  87   7.450  19.731   6.762
  712    HB   THR  87           HB       THR  87   4.870  19.192   7.498
  713    HG1  THR  87           1HG      THR  87   4.331  18.986   5.220
  714   1HG2  THR  87          1HG2      THR  87   6.480  21.392   7.529
  715   2HG2  THR  87          2HG2      THR  87   4.827  21.323   8.137
  716   3HG2  THR  87          3HG2      THR  87   5.142  21.919   6.507
  717    H    ILE  88           H        ILE  88   4.784  17.428   6.389
  718    HA   ILE  88           HA       ILE  88   6.582  15.285   7.314
  719    HB   ILE  88           HB       ILE  88   3.693  15.533   8.148
  720   1HG1  ILE  88          2HG1      ILE  88   5.071  15.994  10.435
  721   2HG1  ILE  88          1HG1      ILE  88   6.139  16.773   9.273
  722   1HG2  ILE  88          1HG2      ILE  88   4.890  14.023  10.028
  723   2HG2  ILE  88          2HG2      ILE  88   5.873  13.606   8.625
  724   3HG2  ILE  88          3HG2      ILE  88   4.128  13.360   8.582
  725   1HD1  ILE  88          1HD1      ILE  88   3.644  17.696   8.564
  726   2HD1  ILE  88          2HD1      ILE  88   4.850  18.561   9.517
  727   3HD1  ILE  88          3HD1      ILE  88   3.584  17.638  10.325
  728    H    TYR  89           H        TYR  89   4.804  16.259   4.740
  729    HA   TYR  89           HA       TYR  89   3.283  13.965   4.082
  730   1HB   TYR  89          2HB       TYR  89   4.372  16.271   2.490
  731   2HB   TYR  89          1HB       TYR  89   3.594  14.917   1.681
  732    HD1  TYR  89           2HD      TYR  89   2.978  17.324   4.476
  733    HD2  TYR  89           1HD      TYR  89   1.316  15.005   1.319
  734    HE1  TYR  89           2HE      TYR  89   0.779  18.340   4.896
  735    HE2  TYR  89           1HE      TYR  89  -0.887  16.014   1.730
  736    HH   TYR  89           HH       TYR  89  -1.949  17.217   4.113
  737    H    TYR  90           H        TYR  90   6.565  15.000   3.183
  738    HA   TYR  90           HA       TYR  90   7.169  12.773   1.549
  739   1HB   TYR  90          2HB       TYR  90   8.479  14.844   1.460
  740   2HB   TYR  90          1HB       TYR  90   9.033  14.583   3.110
  741    HD1  TYR  90           1HD      TYR  90   8.985  12.795  -0.178
  742    HD2  TYR  90           2HD      TYR  90  11.131  13.656   3.397
  743    HE1  TYR  90           1HE      TYR  90  10.916  11.539  -1.039
  744    HE2  TYR  90           2HE      TYR  90  13.065  12.404   2.545
  745    HH   TYR  90           HH       TYR  90  13.493  10.577   0.890
  746    H    LYS  91           H        LYS  91   7.720  13.423   4.999
  747    HA   LYS  91           HA       LYS  91   9.103  11.002   5.525
  748   1HB   LYS  91          2HB       LYS  91   8.013  13.231   7.102
  749   2HB   LYS  91          1HB       LYS  91   8.003  11.685   7.939
  750   1HG   LYS  91          2HG       LYS  91  10.440  11.471   7.309
  751   2HG   LYS  91          1HG       LYS  91  10.361  13.161   6.811
  752   1HD   LYS  91          2HD       LYS  91  11.106  13.344   8.988
  753   2HD   LYS  91          1HD       LYS  91   9.363  13.530   9.188
  754   1HE   LYS  91          2HE       LYS  91   9.338  10.993   9.567
  755   2HE   LYS  91          1HE       LYS  91  11.081  11.142   9.782
  756   1HZ   LYS  91          1HZ       LYS  91  10.829  12.370  11.697
  757   2HZ   LYS  91          2HZ       LYS  91   9.533  11.292  11.826
  758   3HZ   LYS  91          3HZ       LYS  91   9.262  12.879  11.312
  759    H    ALA  92           H        ALA  92   5.694  11.938   5.684
  760    HA   ALA  92           HA       ALA  92   4.677   9.697   7.004
  761   1HB   ALA  92          1HB       ALA  92   3.151  11.424   6.762
  762   2HB   ALA  92          2HB       ALA  92   2.568  10.240   5.594
  763   3HB   ALA  92          3HB       ALA  92   3.500  11.633   5.046
  764    H    ALA  93           H        ALA  93   5.279  10.231   3.544
  765    HA   ALA  93           HA       ALA  93   4.230   7.737   2.681
  766   1HB   ALA  93          1HB       ALA  93   4.841   9.943   1.356
  767   2HB   ALA  93          2HB       ALA  93   4.843   8.363   0.572
  768   3HB   ALA  93          3HB       ALA  93   6.361   9.084   1.103
  769    H    LYS  94           H        LYS  94   7.510   8.834   3.493
  770    HA   LYS  94           HA       LYS  94   8.827   6.441   2.762
  771   1HB   LYS  94          2HB       LYS  94   9.539   8.965   3.928
  772   2HB   LYS  94          1HB       LYS  94  10.283   7.670   4.856
  773   1HG   LYS  94          2HG       LYS  94  10.865   6.835   2.372
  774   2HG   LYS  94          1HG       LYS  94  10.807   8.578   2.101
  775   1HD   LYS  94          2HD       LYS  94  12.502   8.981   3.700
  776   2HD   LYS  94          1HD       LYS  94  12.386   7.343   4.346
  777   1HE   LYS  94          2HE       LYS  94  13.813   6.545   2.826
  778   2HE   LYS  94          1HE       LYS  94  12.973   7.352   1.505
  779   1HZ   LYS  94          1HZ       LYS  94  14.206   9.415   2.668
  780   2HZ   LYS  94          2HZ       LYS  94  14.871   8.523   1.396
  781   3HZ   LYS  94          3HZ       LYS  94  15.320   8.183   2.990
  782    H    LYS  95           H        LYS  95   7.598   7.604   5.897
  783    HA   LYS  95           HA       LYS  95   8.490   5.439   7.448
  784   1HB   LYS  95          2HB       LYS  95   6.931   7.772   7.863
  785   2HB   LYS  95          1HB       LYS  95   5.990   6.414   8.468
  786   1HG   LYS  95          2HG       LYS  95   7.170   6.922  10.340
  787   2HG   LYS  95          1HG       LYS  95   8.291   5.778   9.599
  788   1HD   LYS  95          2HD       LYS  95   9.299   7.885   8.468
  789   2HD   LYS  95          1HD       LYS  95   8.449   8.767   9.738
  790   1HE   LYS  95          2HE       LYS  95  10.046   6.442  10.611
  791   2HE   LYS  95          1HE       LYS  95  10.959   7.817   9.992
  792   1HZ   LYS  95          1HZ       LYS  95   9.257   9.048  11.630
  793   2HZ   LYS  95          2HZ       LYS  95  10.782   8.502  12.114
  794   3HZ   LYS  95          3HZ       LYS  95   9.410   7.568  12.436
  795    H    LEU  96           H        LEU  96   5.379   5.973   5.797
  796    HA   LEU  96           HA       LEU  96   4.164   3.565   6.625
  797   1HB   LEU  96          2HB       LEU  96   3.349   5.761   5.214
  798   2HB   LEU  96          1HB       LEU  96   3.417   4.546   3.953
  799    HG   LEU  96           HG       LEU  96   2.046   3.166   5.814
  800   1HD1  LEU  96          1HD1      LEU  96   0.697   4.422   7.171
  801   2HD1  LEU  96          2HD1      LEU  96   0.822   5.858   6.156
  802   3HD1  LEU  96          3HD1      LEU  96   2.170   5.391   7.192
  803   1HD2  LEU  96          1HD2      LEU  96   0.131   3.528   4.498
  804   2HD2  LEU  96          2HD2      LEU  96   1.493   3.737   3.397
  805   3HD2  LEU  96          3HD2      LEU  96   0.651   5.148   4.038
  806    H    LEU  97           H        LEU  97   6.340   4.331   3.968
  807    HA   LEU  97           HA       LEU  97   6.008   1.997   2.439
  808   1HB   LEU  97          2HB       LEU  97   7.515   4.267   2.214
  809   2HB   LEU  97          1HB       LEU  97   8.744   3.068   2.570
  810    HG   LEU  97           HG       LEU  97   6.748   2.759   0.329
  811   1HD1  LEU  97          1HD1      LEU  97   9.548   3.878   0.240
  812   2HD1  LEU  97          2HD1      LEU  97   8.053   4.753  -0.097
  813   3HD1  LEU  97          3HD1      LEU  97   8.574   3.453  -1.168
  814   1HD2  LEU  97          1HD2      LEU  97   8.855   1.308  -0.404
  815   2HD2  LEU  97          2HD2      LEU  97   7.566   0.656   0.608
  816   3HD2  LEU  97          3HD2      LEU  97   9.068   1.215   1.345
  817    H    HIS  98           H        HIS  98   8.245   2.726   5.110
  818    HA   HIS  98           HA       HIS  98   9.586   0.237   5.071
  819   1HB   HIS  98          2HB       HIS  98   9.469   2.573   6.851
  820   2HB   HIS  98          1HB       HIS  98   9.791   1.054   7.682
  821    HD1  HIS  98           1HD      HIS  98  11.442   3.691   5.836
  822    HD2  HIS  98           2HD      HIS  98  12.115  -0.354   6.517
  823    HE1  HIS  98           1HE      HIS  98  13.860   3.304   5.262
  824    HE2  HIS  98           2HE      HIS  98  14.261   0.864   5.744
  825    H    SER  99           H        SER  99   6.659   1.358   6.671
  826    HA   SER  99           HA       SER  99   6.335  -0.895   8.373
  827   1HB   SER  99          2HB       SER  99   4.256   1.050   7.329
  828   2HB   SER  99          1HB       SER  99   4.020  -0.084   8.658
  829    HG   SER  99           HG       SER  99   5.862   1.039   9.664
  830    H    GLY 100           H        GLY 100   5.116  -0.068   5.143
  831   1HA   GLY 100          2HA       GLY 100   3.442  -2.335   4.858
  832   2HA   GLY 100          1HA       GLY 100   4.045  -1.330   3.551
  833    H    MET 101           H        MET 101   6.764  -1.710   3.700
  834    HA   MET 101           HA       MET 101   7.107  -4.128   2.356
  835   1HB   MET 101          2HB       MET 101   9.547  -3.694   2.620
  836   2HB   MET 101          1HB       MET 101   8.648  -2.345   1.959
  837   1HG   MET 101          2HG       MET 101   9.948  -1.239   3.444
  838   2HG   MET 101          1HG       MET 101   8.580  -1.610   4.488
  839   1HE   MET 101          1HE       MET 101  12.777  -3.003   4.376
  840   2HE   MET 101          2HE       MET 101  11.693  -2.853   2.993
  841   3HE   MET 101          3HE       MET 101  11.869  -4.405   3.814
  842    H    LYS 102           H        LYS 102   7.649  -3.328   5.777
  843    HA   LYS 102           HA       LYS 102   8.896  -5.799   6.415
  844   1HB   LYS 102          2HB       LYS 102   8.543  -5.211   8.744
  845   2HB   LYS 102          1HB       LYS 102   9.135  -3.823   7.842
  846   1HG   LYS 102          2HG       LYS 102   7.206  -2.655   8.104
  847   2HG   LYS 102          1HG       LYS 102   6.202  -4.103   8.155
  848   1HD   LYS 102          2HD       LYS 102   7.143  -4.600  10.400
  849   2HD   LYS 102          1HD       LYS 102   7.976  -3.045  10.344
  850   1HE   LYS 102          2HE       LYS 102   6.135  -2.226  11.320
  851   2HE   LYS 102          1HE       LYS 102   5.405  -2.348   9.719
  852   1HZ   LYS 102          1HZ       LYS 102   5.344  -4.730  11.419
  853   2HZ   LYS 102          2HZ       LYS 102   4.207  -4.169  10.302
  854   3HZ   LYS 102          3HZ       LYS 102   4.313  -3.452  11.827
  855    H    ILE 103           H        ILE 103   5.518  -4.728   6.448
  856    HA   ILE 103           HA       ILE 103   4.505  -7.086   7.692
  857    HB   ILE 103           HB       ILE 103   3.014  -5.166   5.899
  858   1HG1  ILE 103          2HG1      ILE 103   2.819  -5.116   8.881
  859   2HG1  ILE 103          1HG1      ILE 103   4.213  -4.355   8.120
  860   1HG2  ILE 103          1HG2      ILE 103   1.059  -6.009   7.302
  861   2HG2  ILE 103          2HG2      ILE 103   2.127  -7.323   7.793
  862   3HG2  ILE 103          3HG2      ILE 103   1.713  -7.113   6.092
  863   1HD1  ILE 103          1HD1      ILE 103   2.577  -2.678   8.470
  864   2HD1  ILE 103          2HD1      ILE 103   1.311  -3.668   7.743
  865   3HD1  ILE 103          3HD1      ILE 103   2.608  -3.017   6.740
  866    H    LEU 104           H        LEU 104   5.133  -6.135   4.359
  867    HA   LEU 104           HA       LEU 104   3.725  -8.109   2.997
  868   1HB   LEU 104          2HB       LEU 104   5.870  -6.256   2.411
  869   2HB   LEU 104          1HB       LEU 104   6.110  -7.778   1.575
  870    HG   LEU 104           HG       LEU 104   3.371  -6.801   1.350
  871   1HD1  LEU 104          1HD1      LEU 104   3.842  -4.638   1.058
  872   2HD1  LEU 104          2HD1      LEU 104   4.516  -5.139  -0.492
  873   3HD1  LEU 104          3HD1      LEU 104   5.574  -4.935   0.905
  874   1HD2  LEU 104          1HD2      LEU 104   5.099  -7.128  -1.014
  875   2HD2  LEU 104          2HD2      LEU 104   3.505  -7.794  -0.669
  876   3HD2  LEU 104          3HD2      LEU 104   4.941  -8.549   0.019
  877    H    SER 105           H        SER 105   6.793  -8.321   4.709
  878    HA   SER 105           HA       SER 105   7.340 -10.978   3.681
  879   1HB   SER 105          2HB       SER 105   9.390 -10.879   4.946
  880   2HB   SER 105          1HB       SER 105   9.171  -9.325   4.142
  881    HG   SER 105           HG       SER 105   9.790  -9.254   6.423
  882    H    GLN 106           H        GLN 106   5.092 -10.025   5.766
  883    HA   GLN 106           HA       GLN 106   5.582 -12.169   7.713
  884   1HB   GLN 106          2HB       GLN 106   3.848  -9.709   7.826
  885   2HB   GLN 106          1HB       GLN 106   3.701 -11.021   8.986
  886   1HG   GLN 106          2HG       GLN 106   6.122 -10.696   9.528
  887   2HG   GLN 106          1HG       GLN 106   6.086  -9.253   8.515
  888   1HE2  GLN 106          1HE2      GLN 106   6.830  -8.504  10.771
  889   2HE2  GLN 106          2HE2      GLN 106   5.581  -7.900  11.800
  890    H    GLU 107           H        GLU 107   3.556 -11.245   5.072
  891    HA   GLU 107           HA       GLU 107   1.198 -12.613   5.660
  892   1HB   GLU 107          2HB       GLU 107   2.465 -12.322   2.930
  893   2HB   GLU 107          1HB       GLU 107   0.769 -12.638   3.268
  894   1HG   GLU 107          2HG       GLU 107   0.570 -10.448   4.329
  895   2HG   GLU 107          1HG       GLU 107   2.272 -10.132   3.995
  896    H    ARG 108           H        ARG 108   4.287 -13.815   4.472
  897    HA   ARG 108           HA       ARG 108   3.182 -16.509   4.167
  898   1HB   ARG 108          2HB       ARG 108   4.829 -15.293   2.525
  899   2HB   ARG 108          1HB       ARG 108   6.057 -15.825   3.663
  900   1HG   ARG 108          2HG       ARG 108   5.244 -18.154   3.360
  901   2HG   ARG 108          1HG       ARG 108   4.154 -17.561   2.107
  902   1HD   ARG 108          2HD       ARG 108   6.725 -16.542   1.522
  903   2HD   ARG 108          1HD       ARG 108   6.922 -18.251   1.909
  904    HE   ARG 108           HE       ARG 108   5.782 -18.797  -0.009
  905   1HH1  ARG 108          1HH1      ARG 108   5.435 -15.363   0.591
  906   2HH1  ARG 108          2HH1      ARG 108   4.722 -15.039  -0.952
  907   1HH2  ARG 108          1HH2      ARG 108   4.841 -18.362  -2.045
  908   2HH2  ARG 108          2HH2      ARG 108   4.385 -16.742  -2.450
  909    H    LEU 109           H        LEU 109   3.438 -15.300   6.818
  910    HA   LEU 109           HA       LEU 109   5.685 -16.645   8.070
  911   1HB   LEU 109          2HB       LEU 109   4.883 -14.378   8.786
  912   2HB   LEU 109          1HB       LEU 109   3.418 -15.136   9.380
  913    HG   LEU 109           HG       LEU 109   5.986 -16.216  10.406
  914   1HD1  LEU 109          1HD1      LEU 109   6.585 -14.456  11.711
  915   2HD1  LEU 109          2HD1      LEU 109   4.950 -13.800  11.778
  916   3HD1  LEU 109          3HD1      LEU 109   5.937 -13.564  10.335
  917   1HD2  LEU 109          1HD2      LEU 109   3.169 -15.923  11.267
  918   2HD2  LEU 109          2HD2      LEU 109   4.398 -15.880  12.529
  919   3HD2  LEU 109          3HD2      LEU 109   4.282 -17.276  11.460
  920    H    GLU 110           H        GLU 110   5.207 -18.814   7.661
  921    HA   GLU 110           HA       GLU 110   3.040 -19.913   9.321
  922   1HB   GLU 110          2HB       GLU 110   3.006 -19.934   6.576
  923   2HB   GLU 110          1HB       GLU 110   3.735 -21.492   6.942
  924   1HG   GLU 110          2HG       GLU 110   1.521 -22.048   6.878
  925   2HG   GLU 110          1HG       GLU 110   1.730 -21.717   8.596
  926    H    HIS 111           H        HIS 111   3.473 -22.534   9.169
  927    HA   HIS 111           HA       HIS 111   6.173 -23.377   9.259
  928   1HB   HIS 111          2HB       HIS 111   5.227 -22.102  11.633
  929   2HB   HIS 111          1HB       HIS 111   5.419 -23.818  11.975
  930    HD1  HIS 111           1HD      HIS 111   7.327 -20.711  11.376
  931    HD2  HIS 111           2HD      HIS 111   8.096 -24.783  11.681
  932    HE1  HIS 111           1HE      HIS 111   9.811 -20.904  11.712
  933    HE2  HIS 111           2HE      HIS 111  10.267 -23.381  11.759
  934    H    HIS 112           H        HIS 112   2.927 -23.923  10.598
  935    HA   HIS 112           HA       HIS 112   3.265 -26.812  10.216
  936   1HB   HIS 112          2HB       HIS 112   2.358 -25.631  12.393
  937   2HB   HIS 112          1HB       HIS 112   0.843 -25.604  11.498
  938    HD1  HIS 112           1HD      HIS 112  -0.310 -27.882  11.052
  939    HD2  HIS 112           2HD      HIS 112   3.183 -28.148  13.284
  940    HE1  HIS 112           1HE      HIS 112  -0.302 -30.205  12.008
  941    HE2  HIS 112           2HE      HIS 112   1.774 -30.312  13.431
  942    H    HIS 113           H        HIS 113   1.415 -28.019   9.292
  943    HA   HIS 113           HA       HIS 113   0.384 -26.620   6.948
  944   1HB   HIS 113          2HB       HIS 113   1.455 -29.114   7.255
  945   2HB   HIS 113          1HB       HIS 113  -0.266 -29.475   7.286
  946    HD1  HIS 113           1HD      HIS 113  -1.617 -29.000   5.111
  947    HD2  HIS 113           2HD      HIS 113   2.473 -28.342   4.781
  948    HE1  HIS 113           1HE      HIS 113  -1.156 -28.847   2.643
  949    HE2  HIS 113           2HE      HIS 113   1.318 -28.407   2.469
  950    H    HIS 114           H        HIS 114  -0.770 -26.192   9.686
  951    HA   HIS 114           HA       HIS 114  -3.557 -26.655   8.941
  952   1HB   HIS 114          2HB       HIS 114  -2.235 -27.665  11.443
  953   2HB   HIS 114          1HB       HIS 114  -3.936 -27.220  11.466
  954    HD1  HIS 114           1HD      HIS 114  -1.604 -29.602   9.655
  955    HD2  HIS 114           2HD      HIS 114  -5.628 -29.158  10.589
  956    HE1  HIS 114           1HE      HIS 114  -2.701 -31.747   8.938
  957    HE2  HIS 114           2HE      HIS 114  -5.126 -31.481   9.573
  958    H    HIS 115           H        HIS 115  -3.200 -24.317   8.492
  959    HA   HIS 115           HA       HIS 115  -3.891 -22.754  10.862
  960   1HB   HIS 115          2HB       HIS 115  -1.333 -22.668  10.141
  961   2HB   HIS 115          1HB       HIS 115  -1.948 -21.510   8.968
  962    HD1  HIS 115           1HD      HIS 115  -0.137 -20.150  10.694
  963    HD2  HIS 115           2HD      HIS 115  -4.020 -20.887  11.977
  964    HE1  HIS 115           1HE      HIS 115  -0.557 -18.504  12.547
  965    HE2  HIS 115           2HE      HIS 115  -2.963 -18.869  13.197
  966    H    HIS 116           H        HIS 116  -5.409 -21.219  10.483
  967    HA   HIS 116           HA       HIS 116  -5.950 -20.384   7.733
  968   1HB   HIS 116          2HB       HIS 116  -7.774 -21.963   9.468
  969   2HB   HIS 116          1HB       HIS 116  -8.494 -20.641   8.556
  970    HD1  HIS 116           1HD      HIS 116  -7.212 -24.074   8.208
  971    HD2  HIS 116           2HD      HIS 116  -8.273 -20.932   5.706
  972    HE1  HIS 116           1HE      HIS 116  -7.447 -25.088   5.919
  973    HE2  HIS 116           2HE      HIS 116  -7.988 -23.148   4.405
  Start of MODEL   13
    1   1H    MET   0          1HT       MET   0  -7.472 -25.271 -11.363
    2   2H    MET   0          2HT       MET   0  -8.973 -25.786 -10.710
    3   3H    MET   0          3HT       MET   0  -8.193 -26.727 -11.912
    4    HA   MET   0           HA       MET   0  -8.039 -27.522  -9.569
    5   1HB   MET   0          2HB       MET   0  -6.320 -27.593 -11.772
    6   2HB   MET   0          1HB       MET   0  -5.266 -27.250 -10.408
    7   1HG   MET   0          2HG       MET   0  -5.402 -29.334  -9.659
    8   2HG   MET   0          1HG       MET   0  -7.157 -29.354  -9.804
    9   1HE   MET   0          1HE       MET   0  -3.866 -31.024 -11.613
   10   2HE   MET   0          2HE       MET   0  -3.933 -29.262 -11.650
   11   3HE   MET   0          3HE       MET   0  -4.169 -30.186 -13.134
   12    H    GLU   1           H        GLU   1  -8.379 -24.725  -9.070
   13    HA   GLU   1           HA       GLU   1  -6.775 -24.440  -6.752
   14   1HB   GLU   1          2HB       GLU   1  -5.611 -23.437  -9.130
   15   2HB   GLU   1          1HB       GLU   1  -6.150 -22.041  -8.209
   16   1HG   GLU   1          2HG       GLU   1  -4.674 -22.404  -6.519
   17   2HG   GLU   1          1HG       GLU   1  -4.658 -24.150  -6.758
   18    H    GLU   2           H        GLU   2  -8.948 -24.322  -5.982
   19    HA   GLU   2           HA       GLU   2 -10.059 -21.609  -6.184
   20   1HB   GLU   2          2HB       GLU   2 -11.298 -24.029  -7.086
   21   2HB   GLU   2          1HB       GLU   2 -12.204 -23.409  -5.711
   22   1HG   GLU   2          2HG       GLU   2 -11.920 -21.139  -7.095
   23   2HG   GLU   2          1HG       GLU   2 -11.868 -22.295  -8.424
   24    H    VAL   3           H        VAL   3 -10.967 -20.781  -4.316
   25    HA   VAL   3           HA       VAL   3 -11.350 -20.490  -2.098
   26    HB   VAL   3           HB       VAL   3 -11.283 -23.487  -1.759
   27   1HG1  VAL   3          1HG1      VAL   3 -12.146 -21.180  -0.125
   28   2HG1  VAL   3          2HG1      VAL   3 -11.496 -22.745   0.365
   29   3HG1  VAL   3          3HG1      VAL   3 -13.191 -22.602  -0.097
   30   1HG2  VAL   3          1HG2      VAL   3 -13.290 -21.750  -3.076
   31   2HG2  VAL   3          2HG2      VAL   3 -13.902 -22.988  -1.978
   32   3HG2  VAL   3          3HG2      VAL   3 -12.900 -23.448  -3.355
   33    H    GLU   4           H        GLU   4  -8.544 -21.236  -3.314
   34    HA   GLU   4           HA       GLU   4  -7.183 -21.748  -0.759
   35   1HB   GLU   4          2HB       GLU   4  -6.616 -22.464  -3.556
   36   2HB   GLU   4          1HB       GLU   4  -5.221 -21.883  -2.655
   37   1HG   GLU   4          2HG       GLU   4  -6.138 -23.603  -0.859
   38   2HG   GLU   4          1HG       GLU   4  -6.820 -24.353  -2.300
   39    H    GLN   5           H        GLN   5  -8.197 -19.162  -2.392
   40    HA   GLN   5           HA       GLN   5  -5.729 -17.609  -2.098
   41   1HB   GLN   5          2HB       GLN   5  -8.338 -16.904  -3.451
   42   2HB   GLN   5          1HB       GLN   5  -6.917 -15.874  -3.389
   43   1HG   GLN   5          2HG       GLN   5  -5.796 -17.086  -4.947
   44   2HG   GLN   5          1HG       GLN   5  -6.567 -18.601  -4.483
   45   1HE2  GLN   5          1HE2      GLN   5  -8.899 -18.781  -5.038
   46   2HE2  GLN   5          2HE2      GLN   5  -9.415 -18.116  -6.547
   47    H    THR   6           H        THR   6  -8.798 -18.139  -0.642
   48    HA   THR   6           HA       THR   6  -9.443 -15.756   0.537
   49    HB   THR   6           HB       THR   6 -10.007 -17.550   2.550
   50    HG1  THR   6           1HG      THR   6 -10.358 -19.501   1.678
   51   1HG2  THR   6          1HG2      THR   6 -12.004 -17.921   0.604
   52   2HG2  THR   6          2HG2      THR   6 -11.427 -16.261   0.451
   53   3HG2  THR   6          3HG2      THR   6 -12.025 -16.848   2.004
   54    HA   PRO   7           HA       PRO   7  -6.582 -16.885   4.401
   55   1HB   PRO   7          2HB       PRO   7  -4.332 -18.281   3.498
   56   2HB   PRO   7          1HB       PRO   7  -5.656 -18.947   4.454
   57   1HG   PRO   7          2HG       PRO   7  -5.188 -19.079   1.515
   58   2HG   PRO   7          1HG       PRO   7  -5.880 -20.298   2.602
   59   1HD   PRO   7          2HD       PRO   7  -7.428 -18.855   0.965
   60   2HD   PRO   7          1HD       PRO   7  -7.973 -19.288   2.601
   61    H    LEU   8           H        LEU   8  -5.083 -16.679   1.178
   62    HA   LEU   8           HA       LEU   8  -2.958 -14.983   1.900
   63   1HB   LEU   8          2HB       LEU   8  -4.131 -16.002  -0.554
   64   2HB   LEU   8          1HB       LEU   8  -3.585 -14.347  -0.739
   65    HG   LEU   8           HG       LEU   8  -1.471 -15.606   0.559
   66   1HD1  LEU   8          1HD1      LEU   8  -1.179 -17.441  -1.361
   67   2HD1  LEU   8          2HD1      LEU   8  -2.930 -17.507  -1.170
   68   3HD1  LEU   8          3HD1      LEU   8  -1.881 -17.801   0.216
   69   1HD2  LEU   8          1HD2      LEU   8  -0.688 -15.591  -2.032
   70   2HD2  LEU   8          2HD2      LEU   8  -0.720 -14.165  -0.995
   71   3HD2  LEU   8          3HD2      LEU   8  -2.061 -14.486  -2.094
   72    H    GLN   9           H        GLN   9  -6.221 -14.269   0.691
   73    HA   GLN   9           HA       GLN   9  -5.922 -11.474   0.498
   74   1HB   GLN   9          2HB       GLN   9  -7.781 -12.741  -0.528
   75   2HB   GLN   9          1HB       GLN   9  -8.434 -13.061   1.073
   76   1HG   GLN   9          2HG       GLN   9  -8.523 -10.515   1.336
   77   2HG   GLN   9          1HG       GLN   9  -8.293 -10.461  -0.411
   78   1HE2  GLN   9          1HE2      GLN   9 -10.184  -9.989  -1.301
   79   2HE2  GLN   9          2HE2      GLN   9 -11.695 -10.731  -0.918
   80    H    GLU  10           H        GLU  10  -6.735 -13.583   3.200
   81    HA   GLU  10           HA       GLU  10  -7.654 -11.643   5.008
   82   1HB   GLU  10          2HB       GLU  10  -6.217 -14.250   5.532
   83   2HB   GLU  10          1HB       GLU  10  -7.010 -13.284   6.770
   84   1HG   GLU  10          2HG       GLU  10  -8.593 -14.115   4.397
   85   2HG   GLU  10          1HG       GLU  10  -8.216 -15.320   5.625
   86    H    ALA  11           H        ALA  11  -4.389 -12.924   4.448
   87    HA   ALA  11           HA       ALA  11  -3.098 -11.388   6.438
   88   1HB   ALA  11          1HB       ALA  11  -1.778 -13.128   5.755
   89   2HB   ALA  11          2HB       ALA  11  -1.067 -11.816   4.816
   90   3HB   ALA  11          3HB       ALA  11  -2.203 -12.930   4.054
   91    H    LEU  12           H        LEU  12  -3.903 -10.738   3.067
   92    HA   LEU  12           HA       LEU  12  -2.313  -8.463   2.679
   93   1HB   LEU  12          2HB       LEU  12  -4.403  -9.831   1.285
   94   2HB   LEU  12          1HB       LEU  12  -4.737  -8.110   1.257
   95    HG   LEU  12           HG       LEU  12  -1.963  -8.857   0.590
   96   1HD1  LEU  12          1HD1      LEU  12  -3.126 -10.675  -0.507
   97   2HD1  LEU  12          2HD1      LEU  12  -2.551  -9.512  -1.702
   98   3HD1  LEU  12          3HD1      LEU  12  -4.254  -9.538  -1.246
   99   1HD2  LEU  12          1HD2      LEU  12  -3.920  -7.102  -0.877
  100   2HD2  LEU  12          2HD2      LEU  12  -2.158  -7.068  -0.947
  101   3HD2  LEU  12          3HD2      LEU  12  -2.991  -6.552   0.518
  102    H    ASN  13           H        ASN  13  -5.668  -8.743   3.866
  103    HA   ASN  13           HA       ASN  13  -6.025  -5.943   4.164
  104   1HB   ASN  13          2HB       ASN  13  -8.094  -6.412   5.207
  105   2HB   ASN  13          1HB       ASN  13  -7.880  -7.660   3.989
  106   1HD2  ASN  13          1HD2      ASN  13  -8.425  -9.616   4.630
  107   2HD2  ASN  13          2HD2      ASN  13  -8.375 -10.208   6.253
  108    H    GLN  14           H        GLN  14  -4.722  -8.441   6.257
  109    HA   GLN  14           HA       GLN  14  -4.758  -6.973   8.675
  110   1HB   GLN  14          2HB       GLN  14  -3.851  -9.521   7.822
  111   2HB   GLN  14          1HB       GLN  14  -2.479  -8.719   8.572
  112   1HG   GLN  14          2HG       GLN  14  -3.365  -9.675  10.416
  113   2HG   GLN  14          1HG       GLN  14  -4.296  -8.180  10.429
  114   1HE2  GLN  14          1HE2      GLN  14  -6.466  -8.225   9.740
  115   2HE2  GLN  14          2HE2      GLN  14  -7.364  -9.700   9.696
  116    H    LEU  15           H        LEU  15  -2.253  -7.359   6.171
  117    HA   LEU  15           HA       LEU  15  -0.263  -5.807   7.404
  118   1HB   LEU  15          2HB       LEU  15   0.541  -7.074   5.663
  119   2HB   LEU  15          1HB       LEU  15  -0.831  -6.743   4.634
  120    HG   LEU  15           HG       LEU  15   1.448  -5.833   3.925
  121   1HD1  LEU  15          1HD1      LEU  15  -0.470  -3.577   4.039
  122   2HD1  LEU  15          2HD1      LEU  15  -0.997  -5.075   3.269
  123   3HD1  LEU  15          3HD1      LEU  15   0.437  -4.236   2.678
  124   1HD2  LEU  15          1HD2      LEU  15   2.524  -4.282   5.102
  125   2HD2  LEU  15          2HD2      LEU  15   1.487  -4.754   6.448
  126   3HD2  LEU  15          3HD2      LEU  15   1.048  -3.381   5.436
  127    H    MET  16           H        MET  16  -2.801  -4.910   5.083
  128    HA   MET  16           HA       MET  16  -2.067  -2.172   4.937
  129   1HB   MET  16          2HB       MET  16  -3.873  -3.811   3.605
  130   2HB   MET  16          1HB       MET  16  -4.902  -2.672   4.464
  131   1HG   MET  16          2HG       MET  16  -4.578  -1.559   2.499
  132   2HG   MET  16          1HG       MET  16  -3.265  -0.895   3.470
  133   1HE   MET  16          1HE       MET  16  -0.292  -1.468   2.226
  134   2HE   MET  16          2HE       MET  16  -1.558  -0.285   2.554
  135   3HE   MET  16          3HE       MET  16  -1.067  -0.613   0.893
  136    H    ARG  17           H        ARG  17  -4.411  -3.942   6.936
  137    HA   ARG  17           HA       ARG  17  -5.574  -1.684   8.167
  138   1HB   ARG  17          2HB       ARG  17  -5.447  -4.597   8.767
  139   2HB   ARG  17          1HB       ARG  17  -5.921  -3.522  10.073
  140   1HG   ARG  17          2HG       ARG  17  -7.472  -2.628   8.011
  141   2HG   ARG  17          1HG       ARG  17  -7.400  -4.365   7.703
  142   1HD   ARG  17          2HD       ARG  17  -7.999  -3.328  10.449
  143   2HD   ARG  17          1HD       ARG  17  -9.270  -3.412   9.230
  144    HE   ARG  17           HE       ARG  17  -8.051  -5.612  10.631
  145   1HH1  ARG  17          1HH1      ARG  17  -9.829  -4.674   7.765
  146   2HH1  ARG  17          2HH1      ARG  17 -10.471  -6.257   7.493
  147   1HH2  ARG  17          1HH2      ARG  17  -8.902  -7.699  10.269
  148   2HH2  ARG  17          2HH2      ARG  17  -9.944  -7.977   8.915
  149    H    GLN  18           H        GLN  18  -2.739  -3.639   8.990
  150    HA   GLN  18           HA       GLN  18  -2.241  -2.474  11.512
  151   1HB   GLN  18          2HB       GLN  18  -1.245  -4.619  10.514
  152   2HB   GLN  18          1HB       GLN  18  -0.097  -3.565   9.700
  153   1HG   GLN  18          2HG       GLN  18   0.606  -2.687  11.894
  154   2HG   GLN  18          1HG       GLN  18  -0.494  -3.821  12.673
  155   1HE2  GLN  18          1HE2      GLN  18  -0.156  -6.154  11.630
  156   2HE2  GLN  18          2HE2      GLN  18   1.487  -6.685  11.661
  157    H    LEU  19           H        LEU  19  -0.891  -1.748   8.283
  158    HA   LEU  19           HA       LEU  19   0.684   0.433   9.219
  159   1HB   LEU  19          2HB       LEU  19   1.043   0.970   6.865
  160   2HB   LEU  19          1HB       LEU  19   1.317  -0.726   7.203
  161    HG   LEU  19           HG       LEU  19  -1.103  -1.057   6.334
  162   1HD1  LEU  19          1HD1      LEU  19  -0.747   1.768   5.929
  163   2HD1  LEU  19          2HD1      LEU  19  -2.184   0.774   5.694
  164   3HD1  LEU  19          3HD1      LEU  19  -1.012   0.951   4.390
  165   1HD2  LEU  19          1HD2      LEU  19   1.293  -1.466   5.265
  166   2HD2  LEU  19          2HD2      LEU  19   0.710  -0.242   4.138
  167   3HD2  LEU  19          3HD2      LEU  19  -0.199  -1.736   4.365
  168    H    GLN  20           H        GLN  20  -2.580   0.144   7.972
  169    HA   GLN  20           HA       GLN  20  -3.059   2.882   7.470
  170   1HB   GLN  20          2HB       GLN  20  -4.452   0.940   6.668
  171   2HB   GLN  20          1HB       GLN  20  -5.108   0.821   8.294
  172   1HG   GLN  20          2HG       GLN  20  -6.274   2.811   8.107
  173   2HG   GLN  20          1HG       GLN  20  -5.254   3.401   6.796
  174   1HE2  GLN  20          1HE2      GLN  20  -5.295   1.679   4.877
  175   2HE2  GLN  20          2HE2      GLN  20  -6.892   1.280   4.351
  176    H    ARG  21           H        ARG  21  -3.449   0.875  10.341
  177    HA   ARG  21           HA       ARG  21  -4.727   2.868  11.925
  178   1HB   ARG  21          2HB       ARG  21  -4.670   0.289  12.224
  179   2HB   ARG  21          1HB       ARG  21  -3.156   0.579  13.067
  180   1HG   ARG  21          2HG       ARG  21  -5.402   2.255  13.945
  181   2HG   ARG  21          1HG       ARG  21  -5.589   0.526  14.241
  182   1HD   ARG  21          2HD       ARG  21  -3.951   0.479  15.791
  183   2HD   ARG  21          1HD       ARG  21  -2.953   1.645  14.926
  184    HE   ARG  21           HE       ARG  21  -3.874   3.317  16.185
  185   1HH1  ARG  21          1HH1      ARG  21  -5.885   0.464  16.497
  186   2HH1  ARG  21          2HH1      ARG  21  -6.867   1.142  17.750
  187   1HH2  ARG  21          1HH2      ARG  21  -5.177   4.205  17.836
  188   2HH2  ARG  21          2HH2      ARG  21  -6.465   3.266  18.511
  189    H    LYS  22           H        LYS  22  -1.462   2.391  10.993
  190    HA   LYS  22           HA       LYS  22   0.051   3.168  13.130
  191   1HB   LYS  22          2HB       LYS  22   0.723   2.596  10.678
  192   2HB   LYS  22          1HB       LYS  22   0.632   4.332  10.425
  193   1HG   LYS  22          2HG       LYS  22   2.730   4.455  11.125
  194   2HG   LYS  22          1HG       LYS  22   2.153   4.030  12.739
  195   1HD   LYS  22          2HD       LYS  22   2.599   1.817  10.807
  196   2HD   LYS  22          1HD       LYS  22   4.022   2.618  11.476
  197   1HE   LYS  22          2HE       LYS  22   1.814   1.706  13.278
  198   2HE   LYS  22          1HE       LYS  22   3.010   0.552  12.693
  199   1HZ   LYS  22          1HZ       LYS  22   3.974   3.054  13.874
  200   2HZ   LYS  22          2HZ       LYS  22   4.665   1.511  13.903
  201   3HZ   LYS  22          3HZ       LYS  22   3.361   1.871  14.915
  202    H    ASP  23           H        ASP  23  -0.796   5.579  10.617
  203    HA   ASP  23           HA       ASP  23  -2.139   7.446  12.003
  204   1HB   ASP  23          2HB       ASP  23  -0.568   7.665  13.758
  205   2HB   ASP  23          1HB       ASP  23   0.788   7.712  12.640
  206    HA   PRO  24           HA       PRO  24   0.417   9.758   8.556
  207   1HB   PRO  24          2HB       PRO  24   1.929   7.532   7.365
  208   2HB   PRO  24          1HB       PRO  24   2.478   9.146   7.817
  209   1HG   PRO  24          2HG       PRO  24   3.191   6.966   9.219
  210   2HG   PRO  24          1HG       PRO  24   2.920   8.536   9.992
  211   1HD   PRO  24          2HD       PRO  24   1.139   6.144   9.906
  212   2HD   PRO  24          1HD       PRO  24   1.461   7.272  11.231
  213    H    SER  25           H        SER  25  -0.532   6.380   8.102
  214    HA   SER  25           HA       SER  25  -1.224   6.421   5.411
  215   1HB   SER  25          2HB       SER  25  -1.176   4.329   6.596
  216   2HB   SER  25          1HB       SER  25  -2.434   4.868   7.705
  217    HG   SER  25           HG       SER  25  -3.915   4.802   6.021
  218    H    ALA  26           H        ALA  26  -2.926   7.724   8.176
  219    HA   ALA  26           HA       ALA  26  -5.510   7.957   7.233
  220   1HB   ALA  26          1HB       ALA  26  -4.597   8.611   9.510
  221   2HB   ALA  26          2HB       ALA  26  -5.841   9.659   8.829
  222   3HB   ALA  26          3HB       ALA  26  -4.147  10.149   8.774
  223    H    PHE  27           H        PHE  27  -2.679   9.840   6.347
  224    HA   PHE  27           HA       PHE  27  -4.101  11.907   4.988
  225   1HB   PHE  27          2HB       PHE  27  -1.246  11.055   5.183
  226   2HB   PHE  27          1HB       PHE  27  -1.711  12.143   3.881
  227    HD1  PHE  27           1HD      PHE  27  -2.979  12.015   7.383
  228    HD2  PHE  27           2HD      PHE  27  -0.758  14.166   4.459
  229    HE1  PHE  27           1HE      PHE  27  -2.829  13.935   8.916
  230    HE2  PHE  27           2HE      PHE  27  -0.605  16.088   5.985
  231    HZ   PHE  27           HZ       PHE  27  -1.640  15.974   8.216
  232    H    PHE  28           H        PHE  28  -2.773   8.788   4.029
  233    HA   PHE  28           HA       PHE  28  -3.802   9.251   1.303
  234   1HB   PHE  28          2HB       PHE  28  -1.593   7.354   2.126
  235   2HB   PHE  28          1HB       PHE  28  -2.139   7.674   0.485
  236    HD1  PHE  28           2HD      PHE  28  -2.028  10.207  -0.230
  237    HD2  PHE  28           1HD      PHE  28   0.260   8.464   2.907
  238    HE1  PHE  28           2HE      PHE  28  -0.387  12.027  -0.421
  239    HE2  PHE  28           1HE      PHE  28   1.906  10.283   2.722
  240    HZ   PHE  28           HZ       PHE  28   1.584  12.069   1.055
  241    H    SER  29           H        SER  29  -5.393   8.323   3.524
  242    HA   SER  29           HA       SER  29  -5.824   5.494   2.875
  243   1HB   SER  29          2HB       SER  29  -6.258   7.158   5.277
  244   2HB   SER  29          1HB       SER  29  -7.535   5.989   4.940
  245    HG   SER  29           HG       SER  29  -6.025   4.348   5.007
  246    H    PHE  30           H        PHE  30  -6.701   7.920   1.253
  247    HA   PHE  30           HA       PHE  30  -9.421   6.991   0.811
  248   1HB   PHE  30          2HB       PHE  30  -8.816   9.481   2.115
  249   2HB   PHE  30          1HB       PHE  30  -9.564   9.807   0.556
  250    HD1  PHE  30           1HD      PHE  30 -10.015   7.858   3.686
  251    HD2  PHE  30           2HD      PHE  30 -11.865   9.646   0.295
  252    HE1  PHE  30           1HE      PHE  30 -12.230   7.400   4.658
  253    HE2  PHE  30           2HE      PHE  30 -14.080   9.192   1.260
  254    HZ   PHE  30           HZ       PHE  30 -14.267   8.069   3.443
  255    HA   PRO  31           HA       PRO  31  -8.298   7.320  -3.438
  256   1HB   PRO  31          2HB       PRO  31 -11.079   8.214  -3.948
  257   2HB   PRO  31          1HB       PRO  31 -10.205   6.826  -4.602
  258   1HG   PRO  31          2HG       PRO  31 -12.101   6.488  -2.767
  259   2HG   PRO  31          1HG       PRO  31 -10.619   5.514  -2.734
  260   1HD   PRO  31          2HD       PRO  31 -11.363   7.889  -1.063
  261   2HD   PRO  31          1HD       PRO  31 -10.564   6.378  -0.580
  262    H    VAL  32           H        VAL  32  -6.934   9.051  -3.652
  263    HA   VAL  32           HA       VAL  32  -7.517  11.723  -3.230
  264    HB   VAL  32           HB       VAL  32  -5.699  12.061  -5.148
  265   1HG1  VAL  32          1HG1      VAL  32  -3.998  11.905  -3.421
  266   2HG1  VAL  32          2HG1      VAL  32  -5.091  10.959  -2.410
  267   3HG1  VAL  32          3HG1      VAL  32  -5.472  12.640  -2.786
  268   1HG2  VAL  32          1HG2      VAL  32  -4.719   9.450  -4.200
  269   2HG2  VAL  32          2HG2      VAL  32  -4.489  10.258  -5.751
  270   3HG2  VAL  32          3HG2      VAL  32  -5.999   9.415  -5.410
  271    H    THR  33           H        THR  33  -8.195  13.422  -4.479
  272    HA   THR  33           HA       THR  33  -9.183  12.839  -7.174
  273    HB   THR  33           HB       THR  33 -11.087  14.569  -6.040
  274    HG1  THR  33           1HG      THR  33 -10.773  12.301  -4.372
  275   1HG2  THR  33          1HG2      THR  33 -11.054  11.847  -7.121
  276   2HG2  THR  33          2HG2      THR  33 -12.129  13.203  -7.464
  277   3HG2  THR  33          3HG2      THR  33 -12.389  12.212  -6.027
  278    H    ASP  34           H        ASP  34 -10.338  15.216  -7.804
  279    HA   ASP  34           HA       ASP  34  -8.084  16.902  -8.201
  280   1HB   ASP  34          2HB       ASP  34 -10.463  16.531  -9.498
  281   2HB   ASP  34          1HB       ASP  34 -10.729  18.079  -8.709
  282    H    PHE  35           H        PHE  35 -10.098  16.584  -5.536
  283    HA   PHE  35           HA       PHE  35  -9.551  19.349  -4.677
  284   1HB   PHE  35          2HB       PHE  35 -11.924  19.105  -4.860
  285   2HB   PHE  35          1HB       PHE  35 -11.890  17.533  -4.068
  286    HD1  PHE  35           1HD      PHE  35 -11.387  17.406  -1.629
  287    HD2  PHE  35           2HD      PHE  35 -12.084  21.099  -3.622
  288    HE1  PHE  35           1HE      PHE  35 -11.825  18.490   0.539
  289    HE2  PHE  35           2HE      PHE  35 -12.520  22.190  -1.460
  290    HZ   PHE  35           HZ       PHE  35 -12.389  20.886   0.624
  291    H    ILE  36           H        ILE  36  -9.862  15.964  -3.673
  292    HA   ILE  36           HA       ILE  36  -8.876  16.295  -1.049
  293    HB   ILE  36           HB       ILE  36  -9.174  13.934  -2.883
  294   1HG1  ILE  36          2HG1      ILE  36 -10.369  14.513  -0.168
  295   2HG1  ILE  36          1HG1      ILE  36 -11.132  14.960  -1.690
  296   1HG2  ILE  36          1HG2      ILE  36  -7.187  13.381  -1.718
  297   2HG2  ILE  36          2HG2      ILE  36  -8.504  12.498  -0.946
  298   3HG2  ILE  36          3HG2      ILE  36  -7.850  13.948  -0.185
  299   1HD1  ILE  36          1HD1      ILE  36 -10.673  12.328  -2.105
  300   2HD1  ILE  36          2HD1      ILE  36 -12.172  12.996  -1.460
  301   3HD1  ILE  36          3HD1      ILE  36 -10.949  12.357  -0.364
  302    H    ALA  37           H        ALA  37  -7.319  15.781  -4.159
  303    HA   ALA  37           HA       ALA  37  -4.683  15.840  -2.837
  304   1HB   ALA  37          1HB       ALA  37  -4.714  14.987  -5.629
  305   2HB   ALA  37          2HB       ALA  37  -5.647  13.938  -4.562
  306   3HB   ALA  37          3HB       ALA  37  -3.945  14.249  -4.224
  307    HA   PRO  38           HA       PRO  38  -3.794  19.646  -4.876
  308   1HB   PRO  38          2HB       PRO  38  -1.144  19.482  -5.329
  309   2HB   PRO  38          1HB       PRO  38  -1.814  19.691  -3.709
  310   1HG   PRO  38          2HG       PRO  38  -0.834  17.205  -5.056
  311   2HG   PRO  38          1HG       PRO  38  -0.585  17.744  -3.385
  312   1HD   PRO  38          2HD       PRO  38  -2.438  15.879  -4.087
  313   2HD   PRO  38          1HD       PRO  38  -2.636  16.967  -2.698
  314    H    GLY  39           H        GLY  39  -3.745  16.881  -6.525
  315   1HA   GLY  39          2HA       GLY  39  -4.476  17.351  -8.939
  316   2HA   GLY  39          1HA       GLY  39  -2.876  18.068  -9.066
  317    H    TYR  40           H        TYR  40  -3.697  15.156  -7.253
  318    HA   TYR  40           HA       TYR  40  -1.576  13.638  -8.236
  319   1HB   TYR  40          2HB       TYR  40  -4.111  12.998  -6.793
  320   2HB   TYR  40          1HB       TYR  40  -3.224  11.667  -7.525
  321    HD1  TYR  40           2HD      TYR  40  -2.073  14.747  -5.742
  322    HD2  TYR  40           1HD      TYR  40  -2.153  10.485  -5.826
  323    HE1  TYR  40           2HE      TYR  40  -0.588  14.684  -3.788
  324    HE2  TYR  40           1HE      TYR  40  -0.674  10.419  -3.869
  325    HH   TYR  40           HH       TYR  40   1.173  12.793  -2.871
  326    H    SER  41           H        SER  41  -4.995  13.637  -9.248
  327    HA   SER  41           HA       SER  41  -4.720  11.684 -11.259
  328   1HB   SER  41          2HB       SER  41  -6.830  13.087 -10.185
  329   2HB   SER  41          1HB       SER  41  -6.738  13.735 -11.822
  330    HG   SER  41           HG       SER  41  -7.291  11.134 -10.958
  331    H    MET  42           H        MET  42  -3.895  15.065 -11.229
  332    HA   MET  42           HA       MET  42  -3.882  15.431 -14.060
  333   1HB   MET  42          2HB       MET  42  -3.136  17.014 -11.687
  334   2HB   MET  42          1HB       MET  42  -2.248  17.396 -13.154
  335   1HG   MET  42          2HG       MET  42  -4.120  18.136 -14.260
  336   2HG   MET  42          1HG       MET  42  -5.219  17.201 -13.249
  337   1HE   MET  42          1HE       MET  42  -5.272  18.990  -9.954
  338   2HE   MET  42          2HE       MET  42  -5.410  17.484 -10.858
  339   3HE   MET  42          3HE       MET  42  -6.624  18.746 -11.060
  340    H    ILE  43           H        ILE  43  -1.270  14.960 -11.664
  341    HA   ILE  43           HA       ILE  43   0.600  14.529 -13.878
  342    HB   ILE  43           HB       ILE  43   0.975  16.094 -11.786
  343   1HG1  ILE  43          2HG1      ILE  43   2.508  15.653 -13.733
  344   2HG1  ILE  43          1HG1      ILE  43   3.322  16.032 -12.219
  345   1HG2  ILE  43          1HG2      ILE  43   0.715  14.456 -10.059
  346   2HG2  ILE  43          2HG2      ILE  43   2.394  14.998 -10.089
  347   3HG2  ILE  43          3HG2      ILE  43   1.962  13.436 -10.780
  348   1HD1  ILE  43          1HD1      ILE  43   4.495  14.261 -13.295
  349   2HD1  ILE  43          2HD1      ILE  43   3.014  13.325 -13.492
  350   3HD1  ILE  43          3HD1      ILE  43   3.680  13.595 -11.881
  351    H    ILE  44           H        ILE  44  -0.429  12.964 -10.850
  352    HA   ILE  44           HA       ILE  44   0.971  10.525 -11.591
  353    HB   ILE  44           HB       ILE  44  -0.520  11.354  -9.102
  354   1HG1  ILE  44          2HG1      ILE  44   1.688  12.283  -9.250
  355   2HG1  ILE  44          1HG1      ILE  44   1.726  10.982  -8.068
  356   1HG2  ILE  44          1HG2      ILE  44   0.084   9.200  -8.115
  357   2HG2  ILE  44          2HG2      ILE  44   0.721   8.668  -9.670
  358   3HG2  ILE  44          3HG2      ILE  44  -0.999   8.999  -9.487
  359   1HD1  ILE  44          1HD1      ILE  44   3.614  10.485  -9.204
  360   2HD1  ILE  44          2HD1      ILE  44   3.028  11.187 -10.711
  361   3HD1  ILE  44          3HD1      ILE  44   2.471   9.592 -10.205
  362    H    LYS  45           H        LYS  45  -0.208   9.843 -13.370
  363    HA   LYS  45           HA       LYS  45  -2.952   9.677 -13.659
  364   1HB   LYS  45          2HB       LYS  45  -0.728   8.887 -15.121
  365   2HB   LYS  45          1HB       LYS  45  -1.606   7.388 -14.842
  366   1HG   LYS  45          2HG       LYS  45  -3.667   8.665 -15.671
  367   2HG   LYS  45          1HG       LYS  45  -2.518   9.859 -16.274
  368   1HD   LYS  45          2HD       LYS  45  -1.412   7.578 -17.224
  369   2HD   LYS  45          1HD       LYS  45  -3.121   7.142 -17.248
  370   1HE   LYS  45          2HE       LYS  45  -3.601   8.587 -18.913
  371   2HE   LYS  45          1HE       LYS  45  -2.491   9.815 -18.306
  372   1HZ   LYS  45          1HZ       LYS  45  -0.651   8.595 -19.255
  373   2HZ   LYS  45          2HZ       LYS  45  -1.797   8.916 -20.456
  374   3HZ   LYS  45          3HZ       LYS  45  -1.687   7.366 -19.787
  375    H    HIS  46           H        HIS  46  -0.766   7.189 -12.331
  376    HA   HIS  46           HA       HIS  46  -3.146   5.842 -11.237
  377   1HB   HIS  46          2HB       HIS  46  -1.250   4.810 -13.013
  378   2HB   HIS  46          1HB       HIS  46  -0.833   4.105 -11.458
  379    HD1  HIS  46           1HD      HIS  46  -1.791   2.186 -13.510
  380    HD2  HIS  46           2HD      HIS  46  -4.411   4.211 -11.001
  381    HE1  HIS  46           1HE      HIS  46  -3.886   0.797 -13.464
  382    HE2  HIS  46           2HE      HIS  46  -5.415   1.986 -11.851
  383    HA   PRO  47           HA       PRO  47  -0.548   7.118  -7.617
  384   1HB   PRO  47          2HB       PRO  47  -3.070   7.674  -6.295
  385   2HB   PRO  47          1HB       PRO  47  -1.756   8.786  -6.681
  386   1HG   PRO  47          2HG       PRO  47  -4.207   8.848  -7.888
  387   2HG   PRO  47          1HG       PRO  47  -2.717   9.441  -8.640
  388   1HD   PRO  47          2HD       PRO  47  -4.183   6.878  -9.093
  389   2HD   PRO  47          1HD       PRO  47  -3.311   7.906 -10.249
  390    H    MET  48           H        MET  48  -3.692   5.483  -7.527
  391    HA   MET  48           HA       MET  48  -4.498   3.718  -6.345
  392   1HB   MET  48          2HB       MET  48  -1.652   2.732  -6.599
  393   2HB   MET  48          1HB       MET  48  -3.076   1.745  -6.291
  394   1HG   MET  48          2HG       MET  48  -2.400   3.264  -8.796
  395   2HG   MET  48          1HG       MET  48  -2.503   1.517  -8.591
  396   1HE   MET  48          1HE       MET  48  -4.304   0.310  -9.553
  397   2HE   MET  48          2HE       MET  48  -6.017   0.644  -9.307
  398   3HE   MET  48          3HE       MET  48  -4.976   0.306  -7.923
  399    H    ASP  49           H        ASP  49  -4.768   5.140  -4.509
  400    HA   ASP  49           HA       ASP  49  -2.863   5.141  -2.373
  401   1HB   ASP  49          2HB       ASP  49  -4.813   6.135  -1.065
  402   2HB   ASP  49          1HB       ASP  49  -4.297   7.036  -2.488
  403    H    PHE  50           H        PHE  50  -3.751   4.532  -0.091
  404    HA   PHE  50           HA       PHE  50  -3.957   1.727   0.012
  405   1HB   PHE  50          2HB       PHE  50  -4.679   3.610   2.255
  406   2HB   PHE  50          1HB       PHE  50  -4.112   1.950   2.386
  407    HD1  PHE  50           2HD      PHE  50  -1.893   2.203   0.283
  408    HD2  PHE  50           1HD      PHE  50  -3.020   4.621   3.599
  409    HE1  PHE  50           2HE      PHE  50   0.418   3.021   0.468
  410    HE2  PHE  50           1HE      PHE  50  -0.710   5.440   3.791
  411    HZ   PHE  50           HZ       PHE  50   1.014   4.639   2.224
  412    H    SER  51           H        SER  51  -6.430   4.234   0.066
  413    HA   SER  51           HA       SER  51  -8.535   2.545   0.989
  414   1HB   SER  51          2HB       SER  51  -8.254   5.258   0.595
  415   2HB   SER  51          1HB       SER  51  -9.369   4.795  -0.688
  416    HG   SER  51           HG       SER  51  -9.846   5.060   1.934
  417    H    THR  52           H        THR  52  -7.427   3.557  -2.232
  418    HA   THR  52           HA       THR  52  -9.545   2.295  -3.642
  419    HB   THR  52           HB       THR  52  -6.793   3.155  -4.556
  420    HG1  THR  52           1HG      THR  52  -8.008   4.910  -4.015
  421   1HG2  THR  52          1HG2      THR  52  -9.073   1.983  -6.075
  422   2HG2  THR  52          2HG2      THR  52  -7.339   1.731  -6.270
  423   3HG2  THR  52          3HG2      THR  52  -8.074   3.234  -6.821
  424    H    MET  53           H        MET  53  -6.215   1.285  -2.866
  425    HA   MET  53           HA       MET  53  -6.387  -1.193  -4.229
  426   1HB   MET  53          2HB       MET  53  -4.331  -1.791  -3.107
  427   2HB   MET  53          1HB       MET  53  -4.241  -0.119  -3.642
  428   1HG   MET  53          2HG       MET  53  -4.800   0.598  -1.343
  429   2HG   MET  53          1HG       MET  53  -4.745  -1.090  -0.839
  430   1HE   MET  53          1HE       MET  53  -1.386  -2.255  -0.877
  431   2HE   MET  53          2HE       MET  53  -1.532  -1.929  -2.605
  432   3HE   MET  53          3HE       MET  53  -2.915  -2.554  -1.708
  433    H    LYS  54           H        LYS  54  -6.966  -0.281  -0.833
  434    HA   LYS  54           HA       LYS  54  -7.321  -2.859   0.205
  435   1HB   LYS  54          2HB       LYS  54  -7.115  -0.735   1.531
  436   2HB   LYS  54          1HB       LYS  54  -8.782  -0.373   1.108
  437   1HG   LYS  54          2HG       LYS  54  -8.743  -2.993   2.160
  438   2HG   LYS  54          1HG       LYS  54  -7.773  -1.979   3.231
  439   1HD   LYS  54          2HD       LYS  54  -9.550  -0.672   3.830
  440   2HD   LYS  54          1HD       LYS  54 -10.385  -0.913   2.294
  441   1HE   LYS  54          2HE       LYS  54 -11.120  -3.076   2.936
  442   2HE   LYS  54          1HE       LYS  54 -10.051  -3.097   4.338
  443   1HZ   LYS  54          1HZ       LYS  54 -12.357  -2.651   4.951
  444   2HZ   LYS  54          2HZ       LYS  54 -12.368  -1.270   3.975
  445   3HZ   LYS  54          3HZ       LYS  54 -11.361  -1.338   5.333
  446    H    GLU  55           H        GLU  55  -9.686  -0.636  -1.252
  447    HA   GLU  55           HA       GLU  55 -11.961  -2.254  -0.843
  448   1HB   GLU  55          2HB       GLU  55 -11.497   0.257  -1.876
  449   2HB   GLU  55          1HB       GLU  55 -11.991  -0.649  -3.300
  450   1HG   GLU  55          2HG       GLU  55 -14.091  -0.324  -2.698
  451   2HG   GLU  55          1HG       GLU  55 -13.807  -1.369  -1.307
  452    H    LYS  56           H        LYS  56  -9.585  -2.078  -3.437
  453    HA   LYS  56           HA       LYS  56 -10.882  -3.886  -5.196
  454   1HB   LYS  56          2HB       LYS  56  -8.346  -2.452  -5.076
  455   2HB   LYS  56          1HB       LYS  56  -8.182  -4.051  -5.784
  456   1HG   LYS  56          2HG       LYS  56  -9.068  -3.364  -7.691
  457   2HG   LYS  56          1HG       LYS  56 -10.488  -2.723  -6.863
  458   1HD   LYS  56          2HD       LYS  56  -9.504  -0.617  -6.565
  459   2HD   LYS  56          1HD       LYS  56  -7.882  -1.234  -6.885
  460   1HE   LYS  56          2HE       LYS  56 -10.068  -1.191  -8.954
  461   2HE   LYS  56          1HE       LYS  56  -8.931   0.137  -8.728
  462   1HZ   LYS  56          1HZ       LYS  56  -8.513  -1.882 -10.406
  463   2HZ   LYS  56          2HZ       LYS  56  -7.751  -2.507  -9.031
  464   3HZ   LYS  56          3HZ       LYS  56  -7.258  -1.021  -9.668
  465    H    ILE  57           H        ILE  57  -8.458  -4.296  -2.638
  466    HA   ILE  57           HA       ILE  57  -7.778  -6.967  -3.149
  467    HB   ILE  57           HB       ILE  57  -7.887  -5.563  -0.471
  468   1HG1  ILE  57          2HG1      ILE  57  -5.338  -6.144  -1.895
  469   2HG1  ILE  57          1HG1      ILE  57  -6.326  -4.834  -2.527
  470   1HG2  ILE  57          1HG2      ILE  57  -7.701  -7.712   0.237
  471   2HG2  ILE  57          2HG2      ILE  57  -6.002  -7.420  -0.133
  472   3HG2  ILE  57          3HG2      ILE  57  -7.020  -8.274  -1.291
  473   1HD1  ILE  57          1HD1      ILE  57  -6.134  -4.551   0.299
  474   2HD1  ILE  57          2HD1      ILE  57  -5.543  -3.478  -0.969
  475   3HD1  ILE  57          3HD1      ILE  57  -4.519  -4.782  -0.370
  476    H    LYS  58           H        LYS  58 -10.442  -5.567  -1.287
  477    HA   LYS  58           HA       LYS  58 -11.424  -7.917  -0.126
  478   1HB   LYS  58          2HB       LYS  58 -12.096  -5.359   0.125
  479   2HB   LYS  58          1HB       LYS  58 -13.342  -5.816  -1.027
  480   1HG   LYS  58          2HG       LYS  58 -14.234  -5.986   1.182
  481   2HG   LYS  58          1HG       LYS  58 -14.050  -7.615   0.528
  482   1HD   LYS  58          2HD       LYS  58 -11.683  -6.694   1.958
  483   2HD   LYS  58          1HD       LYS  58 -13.127  -6.725   2.974
  484   1HE   LYS  58          2HE       LYS  58 -13.483  -9.030   2.558
  485   2HE   LYS  58          1HE       LYS  58 -12.303  -9.050   1.249
  486   1HZ   LYS  58          1HZ       LYS  58 -11.429 -10.054   3.274
  487   2HZ   LYS  58          2HZ       LYS  58 -11.673  -8.611   4.120
  488   3HZ   LYS  58          3HZ       LYS  58 -10.549  -8.670   2.858
  489    H    ASN  59           H        ASN  59 -11.601  -6.806  -3.415
  490    HA   ASN  59           HA       ASN  59 -13.654  -8.797  -4.071
  491   1HB   ASN  59          2HB       ASN  59 -12.647  -6.312  -5.379
  492   2HB   ASN  59          1HB       ASN  59 -13.294  -7.584  -6.405
  493   1HD2  ASN  59          1HD2      ASN  59 -14.031  -4.963  -4.410
  494   2HD2  ASN  59          2HD2      ASN  59 -15.747  -5.163  -4.367
  495    H    ASN  60           H        ASN  60 -10.703  -9.295  -3.459
  496    HA   ASN  60           HA       ASN  60  -9.045 -10.670  -4.151
  497   1HB   ASN  60          2HB       ASN  60 -11.437 -11.774  -5.219
  498   2HB   ASN  60          1HB       ASN  60 -10.186 -11.930  -6.448
  499   1HD2  ASN  60          1HD2      ASN  60 -10.683 -12.396  -2.970
  500   2HD2  ASN  60          2HD2      ASN  60  -9.735 -13.835  -2.853
  501    H    ASP  61           H        ASP  61  -9.536  -7.986  -5.456
  502    HA   ASP  61           HA       ASP  61  -8.559  -8.196  -8.133
  503   1HB   ASP  61          2HB       ASP  61  -9.855  -6.244  -6.921
  504   2HB   ASP  61          1HB       ASP  61  -8.231  -5.711  -6.497
  505    H    TYR  62           H        TYR  62  -7.136  -7.746  -4.962
  506    HA   TYR  62           HA       TYR  62  -4.465  -7.971  -6.171
  507   1HB   TYR  62          2HB       TYR  62  -5.284  -6.314  -3.774
  508   2HB   TYR  62          1HB       TYR  62  -3.617  -6.581  -4.278
  509    HD1  TYR  62           1HD      TYR  62  -3.116  -5.959  -6.792
  510    HD2  TYR  62           2HD      TYR  62  -6.379  -4.423  -4.534
  511    HE1  TYR  62           1HE      TYR  62  -3.292  -4.066  -8.348
  512    HE2  TYR  62           2HE      TYR  62  -6.560  -2.521  -6.081
  513    HH   TYR  62           HH       TYR  62  -4.965  -2.432  -9.080
  514    H    GLN  63           H        GLN  63  -3.771  -9.940  -5.762
  515    HA   GLN  63           HA       GLN  63  -3.775 -10.930  -3.022
  516   1HB   GLN  63          2HB       GLN  63  -5.811 -11.842  -4.191
  517   2HB   GLN  63          1HB       GLN  63  -4.732 -12.631  -5.332
  518   1HG   GLN  63          2HG       GLN  63  -3.825 -13.386  -2.797
  519   2HG   GLN  63          1HG       GLN  63  -5.585 -13.488  -2.731
  520   1HE2  GLN  63          1HE2      GLN  63  -3.666 -15.649  -2.654
  521   2HE2  GLN  63          2HE2      GLN  63  -4.012 -16.665  -4.004
  522    H    SER  64           H        SER  64  -1.912  -9.924  -5.212
  523    HA   SER  64           HA       SER  64   0.028 -12.122  -5.033
  524   1HB   SER  64          2HB       SER  64   0.798 -10.742  -7.294
  525   2HB   SER  64          1HB       SER  64  -0.111 -12.253  -7.296
  526    HG   SER  64           HG       SER  64  -1.340 -10.917  -8.487
  527    H    ILE  65           H        ILE  65   1.886 -11.553  -4.153
  528    HA   ILE  65           HA       ILE  65   2.296  -9.168  -2.856
  529    HB   ILE  65           HB       ILE  65   3.578 -11.535  -2.863
  530   1HG1  ILE  65          2HG1      ILE  65   4.595  -8.877  -1.864
  531   2HG1  ILE  65          1HG1      ILE  65   3.498  -9.976  -1.036
  532   1HG2  ILE  65          1HG2      ILE  65   4.787 -11.008  -4.947
  533   2HG2  ILE  65          2HG2      ILE  65   5.865 -11.294  -3.580
  534   3HG2  ILE  65          3HG2      ILE  65   5.557  -9.647  -4.129
  535   1HD1  ILE  65          1HD1      ILE  65   5.874  -9.973  -0.229
  536   2HD1  ILE  65          2HD1      ILE  65   6.311 -10.725  -1.762
  537   3HD1  ILE  65          3HD1      ILE  65   5.213 -11.550  -0.658
  538    H    GLU  66           H        GLU  66   3.255 -10.075  -6.135
  539    HA   GLU  66           HA       GLU  66   4.837  -7.756  -6.617
  540   1HB   GLU  66          2HB       GLU  66   4.504 -10.106  -7.929
  541   2HB   GLU  66          1HB       GLU  66   3.509  -9.049  -8.920
  542   1HG   GLU  66          2HG       GLU  66   5.759  -7.554  -8.627
  543   2HG   GLU  66          1HG       GLU  66   6.417  -9.189  -8.639
  544    H    GLU  67           H        GLU  67   1.442  -8.597  -7.145
  545    HA   GLU  67           HA       GLU  67   0.767  -6.257  -8.599
  546   1HB   GLU  67          2HB       GLU  67  -0.484  -8.488  -8.468
  547   2HB   GLU  67          1HB       GLU  67  -1.138  -7.904  -6.945
  548   1HG   GLU  67          2HG       GLU  67  -2.796  -7.240  -8.327
  549   2HG   GLU  67          1HG       GLU  67  -1.767  -5.814  -8.432
  550    H    LEU  68           H        LEU  68   0.339  -7.154  -5.167
  551    HA   LEU  68           HA       LEU  68  -0.853  -4.670  -4.442
  552   1HB   LEU  68          2HB       LEU  68  -0.464  -5.393  -2.110
  553   2HB   LEU  68          1HB       LEU  68  -1.290  -6.591  -3.086
  554    HG   LEU  68           HG       LEU  68   1.248  -7.455  -3.376
  555   1HD1  LEU  68          1HD1      LEU  68   2.601  -6.343  -1.993
  556   2HD1  LEU  68          2HD1      LEU  68   1.848  -7.296  -0.716
  557   3HD1  LEU  68          3HD1      LEU  68   1.261  -5.670  -1.065
  558   1HD2  LEU  68          1HD2      LEU  68   0.235  -8.475  -0.891
  559   2HD2  LEU  68          2HD2      LEU  68   0.315  -9.253  -2.471
  560   3HD2  LEU  68          3HD2      LEU  68  -1.080  -8.264  -2.046
  561    H    LYS  69           H        LYS  69   2.458  -5.921  -4.249
  562    HA   LYS  69           HA       LYS  69   3.576  -3.768  -2.825
  563   1HB   LYS  69          2HB       LYS  69   4.683  -5.972  -3.207
  564   2HB   LYS  69          1HB       LYS  69   4.957  -5.504  -4.880
  565   1HG   LYS  69          2HG       LYS  69   6.295  -3.580  -4.063
  566   2HG   LYS  69          1HG       LYS  69   6.103  -4.198  -2.421
  567   1HD   LYS  69          2HD       LYS  69   7.316  -5.774  -4.689
  568   2HD   LYS  69          1HD       LYS  69   8.254  -4.835  -3.528
  569   1HE   LYS  69          2HE       LYS  69   6.330  -6.650  -2.284
  570   2HE   LYS  69          1HE       LYS  69   7.546  -7.475  -3.258
  571   1HZ   LYS  69          1HZ       LYS  69   8.143  -5.515  -1.107
  572   2HZ   LYS  69          2HZ       LYS  69   9.275  -6.407  -1.993
  573   3HZ   LYS  69          3HZ       LYS  69   8.220  -7.197  -0.933
  574    H    ASP  70           H        ASP  70   3.129  -4.316  -6.297
  575    HA   ASP  70           HA       ASP  70   4.524  -2.058  -7.225
  576   1HB   ASP  70          2HB       ASP  70   2.514  -3.933  -8.341
  577   2HB   ASP  70          1HB       ASP  70   2.624  -2.366  -9.133
  578    H    ASN  71           H        ASN  71   1.088  -2.514  -6.425
  579    HA   ASN  71           HA       ASN  71   0.266   0.099  -7.107
  580   1HB   ASN  71          2HB       ASN  71  -0.907  -2.050  -5.359
  581   2HB   ASN  71          1HB       ASN  71  -1.669  -0.467  -5.480
  582   1HD2  ASN  71          1HD2      ASN  71  -2.859   0.018  -7.233
  583   2HD2  ASN  71          2HD2      ASN  71  -3.109  -1.046  -8.569
  584    H    PHE  72           H        PHE  72   1.148  -1.324  -3.950
  585    HA   PHE  72           HA       PHE  72   0.762   1.002  -2.416
  586   1HB   PHE  72          2HB       PHE  72   0.984  -1.177  -1.359
  587   2HB   PHE  72          1HB       PHE  72   2.628  -1.343  -1.965
  588    HD1  PHE  72           2HD      PHE  72   0.508   0.730   0.278
  589    HD2  PHE  72           1HD      PHE  72   4.434  -0.603  -0.689
  590    HE1  PHE  72           2HE      PHE  72   1.366   1.768   2.337
  591    HE2  PHE  72           1HE      PHE  72   5.296   0.432   1.370
  592    HZ   PHE  72           HZ       PHE  72   3.760   1.620   2.885
  593    H    LYS  73           H        LYS  73   3.674  -0.287  -3.994
  594    HA   LYS  73           HA       LYS  73   5.409   1.778  -3.160
  595   1HB   LYS  73          2HB       LYS  73   5.935  -0.554  -4.202
  596   2HB   LYS  73          1HB       LYS  73   5.801   0.291  -5.736
  597   1HG   LYS  73          2HG       LYS  73   7.480   1.793  -3.977
  598   2HG   LYS  73          1HG       LYS  73   8.029   0.116  -4.031
  599   1HD   LYS  73          2HD       LYS  73   8.204   0.188  -6.423
  600   2HD   LYS  73          1HD       LYS  73   7.454   1.784  -6.477
  601   1HE   LYS  73          2HE       LYS  73   9.617   2.449  -6.601
  602   2HE   LYS  73          1HE       LYS  73   9.495   2.338  -4.847
  603   1HZ   LYS  73          1HZ       LYS  73  10.681   0.376  -4.803
  604   2HZ   LYS  73          2HZ       LYS  73  11.461   1.212  -6.048
  605   3HZ   LYS  73          3HZ       LYS  73  10.349  -0.006  -6.418
  606    H    LEU  74           H        LEU  74   3.268   1.438  -5.951
  607    HA   LEU  74           HA       LEU  74   4.245   3.565  -7.491
  608   1HB   LEU  74          2HB       LEU  74   1.698   2.058  -7.341
  609   2HB   LEU  74          1HB       LEU  74   1.618   3.635  -8.104
  610    HG   LEU  74           HG       LEU  74   3.747   1.747  -8.996
  611   1HD1  LEU  74          1HD1      LEU  74   2.197   0.154  -9.352
  612   2HD1  LEU  74          2HD1      LEU  74   1.796   1.150 -10.751
  613   3HD1  LEU  74          3HD1      LEU  74   0.850   1.291  -9.269
  614   1HD2  LEU  74          1HD2      LEU  74   3.110   4.244  -9.741
  615   2HD2  LEU  74          2HD2      LEU  74   2.088   3.336 -10.853
  616   3HD2  LEU  74          3HD2      LEU  74   3.830   3.062 -10.834
  617    H    MET  75           H        MET  75   1.745   3.522  -4.946
  618    HA   MET  75           HA       MET  75   1.098   6.270  -5.177
  619   1HB   MET  75          2HB       MET  75  -0.070   4.252  -3.868
  620   2HB   MET  75          1HB       MET  75   0.830   4.948  -2.529
  621   1HG   MET  75          2HG       MET  75  -0.423   7.085  -3.897
  622   2HG   MET  75          1HG       MET  75  -1.622   5.811  -3.683
  623   1HE   MET  75          1HE       MET  75   0.996   8.035  -2.120
  624   2HE   MET  75          2HE       MET  75   1.409   6.704  -1.039
  625   3HE   MET  75          3HE       MET  75   0.585   8.130  -0.408
  626    H    CYS  76           H        CYS  76   3.425   4.514  -3.166
  627    HA   CYS  76           HA       CYS  76   4.218   6.667  -1.544
  628   1HB   CYS  76          2HB       CYS  76   5.364   4.027  -2.277
  629   2HB   CYS  76          1HB       CYS  76   6.481   5.216  -1.621
  630    HG   CYS  76           HG       CYS  76   5.265   5.152   0.602
  631    H    THR  77           H        THR  77   5.609   5.443  -4.595
  632    HA   THR  77           HA       THR  77   7.592   7.490  -4.750
  633    HB   THR  77           HB       THR  77   6.582   5.919  -7.110
  634    HG1  THR  77           1HG      THR  77   8.261   5.019  -5.011
  635   1HG2  THR  77          1HG2      THR  77   9.268   5.872  -7.254
  636   2HG2  THR  77          2HG2      THR  77   9.013   7.431  -6.466
  637   3HG2  THR  77          3HG2      THR  77   8.253   7.093  -8.021
  638    H    ASN  78           H        ASN  78   4.349   7.084  -6.111
  639    HA   ASN  78           HA       ASN  78   4.455   9.356  -7.812
  640   1HB   ASN  78          2HB       ASN  78   2.177   7.730  -6.694
  641   2HB   ASN  78          1HB       ASN  78   1.927   9.105  -7.756
  642   1HD2  ASN  78          1HD2      ASN  78   0.909   6.896  -8.674
  643   2HD2  ASN  78          2HD2      ASN  78   1.864   6.172  -9.907
  644    H    ALA  79           H        ALA  79   3.525   8.860  -4.452
  645    HA   ALA  79           HA       ALA  79   2.269  11.395  -4.115
  646   1HB   ALA  79          1HB       ALA  79   2.775  10.865  -1.624
  647   2HB   ALA  79          2HB       ALA  79   3.267   9.288  -2.241
  648   3HB   ALA  79          3HB       ALA  79   1.621   9.864  -2.506
  649    H    MET  80           H        MET  80   5.549  10.173  -3.470
  650    HA   MET  80           HA       MET  80   6.481  12.596  -2.314
  651   1HB   MET  80          2HB       MET  80   8.729  11.638  -2.554
  652   2HB   MET  80          1HB       MET  80   7.602  10.488  -1.851
  653   1HG   MET  80          2HG       MET  80   7.723   9.081  -3.613
  654   2HG   MET  80          1HG       MET  80   7.950  10.378  -4.781
  655   1HE   MET  80          1HE       MET  80  11.453  11.018  -5.174
  656   2HE   MET  80          2HE       MET  80   9.756  11.288  -5.565
  657   3HE   MET  80          3HE       MET  80  10.576   9.844  -6.155
  658    H    ILE  81           H        ILE  81   6.407  11.380  -5.635
  659    HA   ILE  81           HA       ILE  81   8.147  13.350  -6.696
  660    HB   ILE  81           HB       ILE  81   7.703  11.329  -7.963
  661   1HG1  ILE  81          2HG1      ILE  81   6.486  13.296  -9.792
  662   2HG1  ILE  81          1HG1      ILE  81   7.952  13.839  -8.983
  663   1HG2  ILE  81          1HG2      ILE  81   5.577  10.958  -9.106
  664   2HG2  ILE  81          2HG2      ILE  81   4.893  12.363  -8.291
  665   3HG2  ILE  81          3HG2      ILE  81   5.386  10.954  -7.355
  666   1HD1  ILE  81          1HD1      ILE  81   7.967  11.158 -10.253
  667   2HD1  ILE  81          2HD1      ILE  81   9.269  12.335 -10.067
  668   3HD1  ILE  81          3HD1      ILE  81   8.022  12.584 -11.291
  669    H    TYR  82           H        TYR  82   4.580  13.212  -6.407
  670    HA   TYR  82           HA       TYR  82   4.473  16.003  -7.307
  671   1HB   TYR  82          2HB       TYR  82   2.899  14.206  -8.243
  672   2HB   TYR  82          1HB       TYR  82   2.081  14.274  -6.685
  673    HD1  TYR  82           1HD      TYR  82   3.450  16.860  -9.032
  674    HD2  TYR  82           2HD      TYR  82   0.102  15.448  -6.814
  675    HE1  TYR  82           1HE      TYR  82   2.133  18.782  -9.809
  676    HE2  TYR  82           2HE      TYR  82  -1.219  17.369  -7.588
  677    HH   TYR  82           HH       TYR  82   0.074  20.083  -8.927
  678    H    ASN  83           H        ASN  83   5.636  15.476  -4.789
  679    HA   ASN  83           HA       ASN  83   4.245  17.318  -3.178
  680   1HB   ASN  83          2HB       ASN  83   3.042  14.916  -2.947
  681   2HB   ASN  83          1HB       ASN  83   4.297  14.726  -1.727
  682   1HD2  ASN  83          1HD2      ASN  83   2.158  17.368  -2.791
  683   2HD2  ASN  83          2HD2      ASN  83   1.590  17.764  -1.208
  684    H    LYS  84           H        LYS  84   6.259  18.277  -3.098
  685    HA   LYS  84           HA       LYS  84   8.645  16.963  -2.328
  686   1HB   LYS  84          2HB       LYS  84   7.776  19.713  -2.878
  687   2HB   LYS  84          1HB       LYS  84   9.047  19.610  -1.669
  688   1HG   LYS  84          2HG       LYS  84  10.353  18.216  -3.296
  689   2HG   LYS  84          1HG       LYS  84   9.124  18.604  -4.502
  690   1HD   LYS  84          2HD       LYS  84   9.682  21.075  -3.581
  691   2HD   LYS  84          1HD       LYS  84  11.245  20.294  -3.337
  692   1HE   LYS  84          2HE       LYS  84  10.825  19.443  -5.794
  693   2HE   LYS  84          1HE       LYS  84   9.767  20.851  -5.863
  694   1HZ   LYS  84          1HZ       LYS  84  12.418  21.316  -4.766
  695   2HZ   LYS  84          2HZ       LYS  84  11.500  22.263  -5.823
  696   3HZ   LYS  84          3HZ       LYS  84  12.366  20.937  -6.415
  697    HA   PRO  85           HA       PRO  85   8.702  16.928   2.084
  698   1HB   PRO  85          2HB       PRO  85  10.964  18.819   2.280
  699   2HB   PRO  85          1HB       PRO  85  10.865  17.131   2.783
  700   1HG   PRO  85          2HG       PRO  85  12.296  17.864   0.646
  701   2HG   PRO  85          1HG       PRO  85  11.399  16.333   0.677
  702   1HD   PRO  85          2HD       PRO  85  10.686  18.927  -0.644
  703   2HD   PRO  85          1HD       PRO  85  10.508  17.267  -1.253
  704    H    GLU  86           H        GLU  86   6.678  18.302   1.808
  705    HA   GLU  86           HA       GLU  86   6.744  21.079   2.377
  706   1HB   GLU  86          2HB       GLU  86   4.856  19.407   1.426
  707   2HB   GLU  86          1HB       GLU  86   4.326  19.520   3.097
  708   1HG   GLU  86          2HG       GLU  86   3.171  21.148   1.766
  709   2HG   GLU  86          1HG       GLU  86   4.255  21.966   2.888
  710    H    THR  87           H        THR  87   5.619  18.358   4.398
  711    HA   THR  87           HA       THR  87   6.846  19.528   6.744
  712    HB   THR  87           HB       THR  87   4.686  19.464   8.036
  713    HG1  THR  87           1HG      THR  87   3.668  19.018   5.444
  714   1HG2  THR  87          1HG2      THR  87   4.372  21.406   5.790
  715   2HG2  THR  87          2HG2      THR  87   5.675  21.572   6.967
  716   3HG2  THR  87          3HG2      THR  87   3.994  21.603   7.501
  717    H    ILE  88           H        ILE  88   4.080  17.329   6.594
  718    HA   ILE  88           HA       ILE  88   5.829  15.167   7.563
  719    HB   ILE  88           HB       ILE  88   2.868  15.410   8.080
  720   1HG1  ILE  88          2HG1      ILE  88   4.057  15.827  10.504
  721   2HG1  ILE  88          1HG1      ILE  88   5.172  16.666   9.432
  722   1HG2  ILE  88          1HG2      ILE  88   3.387  13.190   8.394
  723   2HG2  ILE  88          2HG2      ILE  88   3.651  13.837  10.013
  724   3HG2  ILE  88          3HG2      ILE  88   5.025  13.537   8.947
  725   1HD1  ILE  88          1HD1      ILE  88   3.423  18.124  10.373
  726   2HD1  ILE  88          2HD1      ILE  88   2.206  17.161   9.537
  727   3HD1  ILE  88          3HD1      ILE  88   3.402  18.067   8.611
  728    H    TYR  89           H        TYR  89   3.910  16.142   4.946
  729    HA   TYR  89           HA       TYR  89   2.662  13.772   4.143
  730   1HB   TYR  89          2HB       TYR  89   3.766  16.070   2.518
  731   2HB   TYR  89          1HB       TYR  89   2.830  14.755   1.819
  732    HD1  TYR  89           1HD      TYR  89   2.700  17.698   4.023
  733    HD2  TYR  89           2HD      TYR  89   0.450  14.618   2.138
  734    HE1  TYR  89           1HE      TYR  89   0.625  18.908   4.539
  735    HE2  TYR  89           2HE      TYR  89  -1.631  15.821   2.649
  736    HH   TYR  89           HH       TYR  89  -2.366  17.556   4.444
  737    H    TYR  90           H        TYR  90   5.902  15.019   3.354
  738    HA   TYR  90           HA       TYR  90   6.658  12.875   1.675
  739   1HB   TYR  90          2HB       TYR  90   7.763  15.185   1.941
  740   2HB   TYR  90          1HB       TYR  90   8.608  14.484   3.317
  741    HD1  TYR  90           1HD      TYR  90  10.142  12.527   2.936
  742    HD2  TYR  90           2HD      TYR  90   8.466  14.754  -0.279
  743    HE1  TYR  90           1HE      TYR  90  11.856  11.624   1.425
  744    HE2  TYR  90           2HE      TYR  90  10.175  13.854  -1.800
  745    HH   TYR  90           HH       TYR  90  12.007  11.222  -1.164
  746    H    LYS  91           H        LYS  91   7.303  13.482   5.130
  747    HA   LYS  91           HA       LYS  91   8.767  11.098   5.559
  748   1HB   LYS  91          2HB       LYS  91   7.413  13.078   7.355
  749   2HB   LYS  91          1HB       LYS  91   8.028  11.573   8.024
  750   1HG   LYS  91          2HG       LYS  91  10.258  12.134   7.084
  751   2HG   LYS  91          1HG       LYS  91   9.606  13.698   6.590
  752   1HD   LYS  91          2HD       LYS  91   9.587  14.505   8.706
  753   2HD   LYS  91          1HD       LYS  91   9.175  12.939   9.411
  754   1HE   LYS  91          2HE       LYS  91  11.528  12.213   8.901
  755   2HE   LYS  91          1HE       LYS  91  11.878  13.889   8.482
  756   1HZ   LYS  91          1HZ       LYS  91  11.708  14.562  10.644
  757   2HZ   LYS  91          2HZ       LYS  91  12.307  12.996  10.880
  758   3HZ   LYS  91          3HZ       LYS  91  10.658  13.312  11.089
  759    H    ALA  92           H        ALA  92   5.333  11.860   5.730
  760    HA   ALA  92           HA       ALA  92   4.441   9.578   7.093
  761   1HB   ALA  92          1HB       ALA  92   2.788  11.159   6.919
  762   2HB   ALA  92          2HB       ALA  92   2.298  10.053   5.637
  763   3HB   ALA  92          3HB       ALA  92   3.168  11.534   5.238
  764    H    ALA  93           H        ALA  93   4.848  10.175   3.611
  765    HA   ALA  93           HA       ALA  93   3.934   7.626   2.769
  766   1HB   ALA  93          1HB       ALA  93   4.682   8.223   0.603
  767   2HB   ALA  93          2HB       ALA  93   5.840   9.389   1.245
  768   3HB   ALA  93          3HB       ALA  93   4.110   9.713   1.355
  769    H    LYS  94           H        LYS  94   7.152   8.904   3.531
  770    HA   LYS  94           HA       LYS  94   8.592   6.614   2.664
  771   1HB   LYS  94          2HB       LYS  94   9.283   9.142   3.471
  772   2HB   LYS  94          1HB       LYS  94   9.814   8.172   4.836
  773   1HG   LYS  94          2HG       LYS  94  11.632   8.449   3.292
  774   2HG   LYS  94          1HG       LYS  94  11.119   6.761   3.291
  775   1HD   LYS  94          2HD       LYS  94  11.541   7.529   1.020
  776   2HD   LYS  94          1HD       LYS  94   9.830   7.165   1.238
  777   1HE   LYS  94          2HE       LYS  94  10.563   9.943   1.825
  778   2HE   LYS  94          1HE       LYS  94  10.828   9.465   0.150
  779   1HZ   LYS  94          1HZ       LYS  94   8.665  10.178   0.101
  780   2HZ   LYS  94          2HZ       LYS  94   8.310   9.629   1.659
  781   3HZ   LYS  94          3HZ       LYS  94   8.427   8.527   0.381
  782    H    LYS  95           H        LYS  95   7.495   7.677   5.885
  783    HA   LYS  95           HA       LYS  95   8.560   5.524   7.337
  784   1HB   LYS  95          2HB       LYS  95   6.434   7.553   7.816
  785   2HB   LYS  95          1HB       LYS  95   6.448   6.136   8.858
  786   1HG   LYS  95          2HG       LYS  95   9.027   6.784   9.028
  787   2HG   LYS  95          1HG       LYS  95   8.365   8.381   8.675
  788   1HD   LYS  95          2HD       LYS  95   6.817   8.150  10.565
  789   2HD   LYS  95          1HD       LYS  95   7.493   6.558  10.919
  790   1HE   LYS  95          2HE       LYS  95   9.283   8.950  10.782
  791   2HE   LYS  95          1HE       LYS  95   8.328   8.648  12.232
  792   1HZ   LYS  95          1HZ       LYS  95   9.395   6.250  11.877
  793   2HZ   LYS  95          2HZ       LYS  95  10.149   7.461  12.785
  794   3HZ   LYS  95          3HZ       LYS  95  10.620   7.191  11.184
  795    H    LEU  96           H        LEU  96   5.423   5.925   5.731
  796    HA   LEU  96           HA       LEU  96   4.286   3.500   6.639
  797   1HB   LEU  96          2HB       LEU  96   3.592   5.616   4.781
  798   2HB   LEU  96          1HB       LEU  96   3.157   4.046   4.137
  799    HG   LEU  96           HG       LEU  96   1.350   5.245   5.422
  800   1HD1  LEU  96          1HD1      LEU  96   1.857   2.701   6.849
  801   2HD1  LEU  96          2HD1      LEU  96   1.763   2.643   5.089
  802   3HD1  LEU  96          3HD1      LEU  96   0.408   3.273   6.024
  803   1HD2  LEU  96          1HD2      LEU  96   3.145   5.874   7.239
  804   2HD2  LEU  96          2HD2      LEU  96   2.657   4.330   7.934
  805   3HD2  LEU  96          3HD2      LEU  96   1.460   5.599   7.679
  806    H    LEU  97           H        LEU  97   6.284   4.320   3.846
  807    HA   LEU  97           HA       LEU  97   5.992   1.935   2.398
  808   1HB   LEU  97          2HB       LEU  97   7.256   4.242   1.910
  809   2HB   LEU  97          1HB       LEU  97   8.640   3.287   2.401
  810    HG   LEU  97           HG       LEU  97   6.749   2.479   0.191
  811   1HD1  LEU  97          1HD1      LEU  97   7.888   4.568  -0.375
  812   2HD1  LEU  97          2HD1      LEU  97   8.477   3.225  -1.356
  813   3HD1  LEU  97          3HD1      LEU  97   9.443   3.822  -0.006
  814   1HD2  LEU  97          1HD2      LEU  97   9.179   1.309   1.419
  815   2HD2  LEU  97          2HD2      LEU  97   9.025   1.197  -0.334
  816   3HD2  LEU  97          3HD2      LEU  97   7.774   0.519   0.707
  817    H    HIS  98           H        HIS  98   8.363   2.846   4.889
  818    HA   HIS  98           HA       HIS  98   9.842   0.442   4.791
  819   1HB   HIS  98          2HB       HIS  98  10.172   2.835   6.058
  820   2HB   HIS  98          1HB       HIS  98   9.720   1.799   7.406
  821    HD1  HIS  98           1HD      HIS  98  12.461   2.442   4.969
  822    HD2  HIS  98           2HD      HIS  98  11.589  -0.219   8.039
  823    HE1  HIS  98           1HE      HIS  98  14.625   1.267   5.473
  824    HE2  HIS  98           2HE      HIS  98  14.054  -0.399   7.275
  825    H    SER  99           H        SER  99   7.126   1.475   6.836
  826    HA   SER  99           HA       SER  99   7.046  -0.793   8.499
  827   1HB   SER  99          2HB       SER  99   4.896   1.173   7.682
  828   2HB   SER  99          1HB       SER  99   4.616  -0.118   8.851
  829    HG   SER  99           HG       SER  99   5.319   2.068   9.634
  830    H    GLY 100           H        GLY 100   5.293  -0.060   5.481
  831   1HA   GLY 100          2HA       GLY 100   3.787  -2.423   5.358
  832   2HA   GLY 100          1HA       GLY 100   4.227  -1.427   3.978
  833    H    MET 101           H        MET 101   7.026  -1.695   4.096
  834    HA   MET 101           HA       MET 101   7.425  -4.052   2.647
  835   1HB   MET 101          2HB       MET 101   9.201  -1.992   3.859
  836   2HB   MET 101          1HB       MET 101   9.940  -3.512   3.376
  837   1HG   MET 101          2HG       MET 101   8.332  -2.771   1.225
  838   2HG   MET 101          1HG       MET 101   9.100  -1.281   1.767
  839   1HE   MET 101          1HE       MET 101  12.426  -1.930   2.284
  840   2HE   MET 101          2HE       MET 101  11.232  -0.711   1.845
  841   3HE   MET 101          3HE       MET 101  12.429  -1.238   0.664
  842    H    LYS 102           H        LYS 102   8.152  -3.330   6.056
  843    HA   LYS 102           HA       LYS 102   9.415  -5.745   6.680
  844   1HB   LYS 102          2HB       LYS 102   8.811  -3.418   8.014
  845   2HB   LYS 102          1HB       LYS 102   7.798  -4.596   8.836
  846   1HG   LYS 102          2HG       LYS 102  10.479  -5.589   8.420
  847   2HG   LYS 102          1HG       LYS 102  10.459  -4.071   9.318
  848   1HD   LYS 102          2HD       LYS 102   9.642  -5.062  11.148
  849   2HD   LYS 102          1HD       LYS 102   8.386  -5.887  10.219
  850   1HE   LYS 102          2HE       LYS 102   9.823  -7.506  11.320
  851   2HE   LYS 102          1HE       LYS 102  10.014  -7.608   9.570
  852   1HZ   LYS 102          1HZ       LYS 102  12.185  -7.563  10.119
  853   2HZ   LYS 102          2HZ       LYS 102  11.929  -6.792  11.602
  854   3HZ   LYS 102          3HZ       LYS 102  11.954  -5.888  10.173
  855    H    ILE 103           H        ILE 103   6.004  -4.797   6.989
  856    HA   ILE 103           HA       ILE 103   5.119  -7.278   8.050
  857    HB   ILE 103           HB       ILE 103   3.471  -5.265   6.519
  858   1HG1  ILE 103          2HG1      ILE 103   3.977  -5.417   9.500
  859   2HG1  ILE 103          1HG1      ILE 103   4.713  -4.241   8.416
  860   1HG2  ILE 103          1HG2      ILE 103   2.229  -7.251   6.739
  861   2HG2  ILE 103          2HG2      ILE 103   1.658  -6.198   8.031
  862   3HG2  ILE 103          3HG2      ILE 103   2.780  -7.509   8.394
  863   1HD1  ILE 103          1HD1      ILE 103   1.830  -4.493   9.193
  864   2HD1  ILE 103          2HD1      ILE 103   2.370  -3.510   7.832
  865   3HD1  ILE 103          3HD1      ILE 103   2.927  -3.140   9.464
  866    H    LEU 104           H        LEU 104   5.333  -5.984   4.768
  867    HA   LEU 104           HA       LEU 104   3.896  -7.915   3.385
  868   1HB   LEU 104          2HB       LEU 104   5.669  -5.797   2.746
  869   2HB   LEU 104          1HB       LEU 104   6.220  -7.212   1.872
  870    HG   LEU 104           HG       LEU 104   3.385  -7.017   1.565
  871   1HD1  LEU 104          1HD1      LEU 104   3.178  -4.769   1.814
  872   2HD1  LEU 104          2HD1      LEU 104   3.711  -4.799   0.133
  873   3HD1  LEU 104          3HD1      LEU 104   4.869  -4.457   1.418
  874   1HD2  LEU 104          1HD2      LEU 104   5.157  -6.291  -0.671
  875   2HD2  LEU 104          2HD2      LEU 104   3.903  -7.525  -0.569
  876   3HD2  LEU 104          3HD2      LEU 104   5.504  -7.838   0.103
  877    H    SER 105           H        SER 105   7.163  -8.046   4.681
  878    HA   SER 105           HA       SER 105   8.128 -10.289   3.322
  879   1HB   SER 105          2HB       SER 105   9.351  -8.682   4.953
  880   2HB   SER 105          1HB       SER 105   8.783  -9.777   6.213
  881    HG   SER 105           HG       SER 105  10.846 -10.077   4.520
  882    H    GLN 106           H        GLN 106   6.097 -10.033   6.197
  883    HA   GLN 106           HA       GLN 106   6.144 -12.791   6.860
  884   1HB   GLN 106          2HB       GLN 106   4.006 -10.758   7.517
  885   2HB   GLN 106          1HB       GLN 106   4.276 -12.293   8.331
  886   1HG   GLN 106          2HG       GLN 106   6.623 -11.362   8.840
  887   2HG   GLN 106          1HG       GLN 106   5.923  -9.799   8.424
  888   1HE2  GLN 106          1HE2      GLN 106   4.595  -8.796   9.845
  889   2HE2  GLN 106          2HE2      GLN 106   4.215  -9.412  11.413
  890    H    GLU 107           H        GLU 107   4.180 -10.858   4.683
  891    HA   GLU 107           HA       GLU 107   2.072 -12.667   4.274
  892   1HB   GLU 107          2HB       GLU 107   3.193 -10.341   2.822
  893   2HB   GLU 107          1HB       GLU 107   2.225 -11.454   1.864
  894   1HG   GLU 107          2HG       GLU 107   0.845  -9.671   2.700
  895   2HG   GLU 107          1HG       GLU 107   0.379 -11.192   3.458
  896    H    ARG 108           H        ARG 108   5.317 -12.531   2.923
  897    HA   ARG 108           HA       ARG 108   4.707 -14.854   1.229
  898   1HB   ARG 108          2HB       ARG 108   6.175 -12.506   0.741
  899   2HB   ARG 108          1HB       ARG 108   7.367 -13.794   0.853
  900   1HG   ARG 108          2HG       ARG 108   6.118 -15.066  -0.843
  901   2HG   ARG 108          1HG       ARG 108   4.979 -13.725  -0.979
  902   1HD   ARG 108          2HD       ARG 108   6.314 -12.901  -2.560
  903   2HD   ARG 108          1HD       ARG 108   7.457 -12.524  -1.272
  904    HE   ARG 108           HE       ARG 108   8.823 -14.146  -2.094
  905   1HH1  ARG 108          1HH1      ARG 108   5.578 -14.807  -3.234
  906   2HH1  ARG 108          2HH1      ARG 108   6.067 -16.127  -4.238
  907   1HH2  ARG 108          1HH2      ARG 108   9.463 -15.886  -3.427
  908   2HH2  ARG 108          2HH2      ARG 108   8.273 -16.740  -4.349
  909    H    LEU 109           H        LEU 109   4.989 -15.164   4.065
  910    HA   LEU 109           HA       LEU 109   7.623 -16.367   4.440
  911   1HB   LEU 109          2HB       LEU 109   5.892 -15.018   6.138
  912   2HB   LEU 109          1HB       LEU 109   5.729 -16.692   6.630
  913    HG   LEU 109           HG       LEU 109   8.490 -15.635   6.303
  914   1HD1  LEU 109          1HD1      LEU 109   6.521 -14.605   8.258
  915   2HD1  LEU 109          2HD1      LEU 109   7.930 -13.822   7.542
  916   3HD1  LEU 109          3HD1      LEU 109   8.136 -14.981   8.857
  917   1HD2  LEU 109          1HD2      LEU 109   7.075 -17.761   7.765
  918   2HD2  LEU 109          2HD2      LEU 109   8.391 -16.983   8.642
  919   3HD2  LEU 109          3HD2      LEU 109   8.699 -17.737   7.079
  920    H    GLU 110           H        GLU 110   7.933 -18.547   4.981
  921    HA   GLU 110           HA       GLU 110   5.793 -20.322   4.037
  922   1HB   GLU 110          2HB       GLU 110   8.781 -20.584   4.171
  923   2HB   GLU 110          1HB       GLU 110   7.767 -22.015   4.043
  924   1HG   GLU 110          2HG       GLU 110   7.085 -21.519   1.918
  925   2HG   GLU 110          1HG       GLU 110   7.337 -19.787   2.122
  926    H    HIS 111           H        HIS 111   7.846 -19.672   6.814
  927    HA   HIS 111           HA       HIS 111   7.766 -20.352   8.977
  928   1HB   HIS 111          2HB       HIS 111   5.007 -21.110   8.062
  929   2HB   HIS 111          1HB       HIS 111   5.551 -21.521   9.684
  930    HD1  HIS 111           1HD      HIS 111   4.785 -18.549   7.501
  931    HD2  HIS 111           2HD      HIS 111   5.605 -19.422  11.481
  932    HE1  HIS 111           1HE      HIS 111   4.286 -16.435   8.771
  933    HE2  HIS 111           2HE      HIS 111   4.802 -16.983  11.176
  934    H    HIS 112           H        HIS 112   9.417 -21.818   9.015
  935    HA   HIS 112           HA       HIS 112  10.459 -23.808   9.304
  936   1HB   HIS 112          2HB       HIS 112   7.641 -24.458   9.912
  937   2HB   HIS 112          1HB       HIS 112   8.658 -25.833   9.496
  938    HD1  HIS 112           1HD      HIS 112  10.983 -25.927  10.989
  939    HD2  HIS 112           2HD      HIS 112   7.788 -23.753  12.522
  940    HE1  HIS 112           1HE      HIS 112  11.450 -25.688  13.449
  941    HE2  HIS 112           2HE      HIS 112   9.453 -24.461  14.371
  942    H    HIS 113           H        HIS 113  11.501 -24.073   7.416
  943    HA   HIS 113           HA       HIS 113  10.158 -24.947   5.023
  944   1HB   HIS 113          2HB       HIS 113  13.140 -24.805   5.460
  945   2HB   HIS 113          1HB       HIS 113  12.268 -24.732   3.933
  946    HD1  HIS 113           1HD      HIS 113  11.150 -22.470   3.311
  947    HD2  HIS 113           2HD      HIS 113  13.288 -22.404   6.875
  948    HE1  HIS 113           1HE      HIS 113  11.399 -20.040   3.902
  949    HE2  HIS 113           2HE      HIS 113  12.583 -20.032   6.128
  950    H    HIS 114           H        HIS 114  10.703 -26.873   3.832
  951    HA   HIS 114           HA       HIS 114  11.807 -29.064   5.443
  952   1HB   HIS 114          2HB       HIS 114   9.960 -30.539   4.527
  953   2HB   HIS 114          1HB       HIS 114   9.466 -29.363   5.738
  954    HD1  HIS 114           1HD      HIS 114   8.123 -27.258   4.840
  955    HD2  HIS 114           2HD      HIS 114   8.725 -30.305   2.075
  956    HE1  HIS 114           1HE      HIS 114   6.505 -26.800   2.970
  957    HE2  HIS 114           2HE      HIS 114   6.844 -28.690   1.338
  958    H    HIS 115           H        HIS 115  13.270 -27.783   3.536
  959    HA   HIS 115           HA       HIS 115  13.282 -29.694   1.289
  960   1HB   HIS 115          2HB       HIS 115  12.766 -27.153   0.880
  961   2HB   HIS 115          1HB       HIS 115  14.509 -26.971   1.047
  962    HD1  HIS 115           1HD      HIS 115  14.812 -29.937  -0.463
  963    HD2  HIS 115           2HD      HIS 115  13.098 -26.412  -1.851
  964    HE1  HIS 115           1HE      HIS 115  14.882 -30.096  -2.972
  965    HE2  HIS 115           2HE      HIS 115  13.764 -27.991  -3.787
  966    H    HIS 116           H        HIS 116  15.335 -27.629   3.334
  967    HA   HIS 116           HA       HIS 116  17.792 -28.746   2.467
  968   1HB   HIS 116          2HB       HIS 116  17.198 -27.335   5.078
  969   2HB   HIS 116          1HB       HIS 116  18.788 -27.584   4.368
  970    HD1  HIS 116           1HD      HIS 116  19.303 -26.206   2.155
  971    HD2  HIS 116           2HD      HIS 116  15.841 -25.115   4.181
  972    HE1  HIS 116           1HE      HIS 116  18.664 -23.955   1.231
  973    HE2  HIS 116           2HE      HIS 116  16.518 -23.357   2.408
  Start of MODEL   14
    1   1H    MET   0          1HT       MET   0  -5.802 -30.687  -7.328
    2   2H    MET   0          2HT       MET   0  -6.145 -29.017  -7.523
    3   3H    MET   0          3HT       MET   0  -6.668 -29.844  -6.113
    4    HA   MET   0           HA       MET   0  -4.516 -30.103  -5.330
    5   1HB   MET   0          2HB       MET   0  -3.897 -29.609  -8.164
    6   2HB   MET   0          1HB       MET   0  -2.794 -28.821  -7.043
    7   1HG   MET   0          2HG       MET   0  -3.385 -31.623  -6.418
    8   2HG   MET   0          1HG       MET   0  -2.539 -31.364  -7.942
    9   1HE   MET   0          1HE       MET   0  -0.817 -29.626  -8.136
   10   2HE   MET   0          2HE       MET   0   0.549 -30.644  -7.676
   11   3HE   MET   0          3HE       MET   0   0.301 -29.088  -6.884
   12    H    GLU   1           H        GLU   1  -3.998 -28.601  -3.860
   13    HA   GLU   1           HA       GLU   1  -3.884 -26.639  -2.733
   14   1HB   GLU   1          2HB       GLU   1  -2.521 -26.188  -4.987
   15   2HB   GLU   1          1HB       GLU   1  -3.799 -25.003  -5.213
   16   1HG   GLU   1          2HG       GLU   1  -3.072 -23.686  -3.525
   17   2HG   GLU   1          1HG       GLU   1  -2.482 -25.044  -2.569
   18    H    GLU   2           H        GLU   2  -6.030 -26.816  -1.980
   19    HA   GLU   2           HA       GLU   2  -7.878 -24.878  -3.208
   20   1HB   GLU   2          2HB       GLU   2  -8.387 -27.699  -2.351
   21   2HB   GLU   2          1HB       GLU   2  -9.677 -26.515  -2.185
   22   1HG   GLU   2          2HG       GLU   2  -8.252 -27.265  -4.727
   23   2HG   GLU   2          1HG       GLU   2  -9.892 -27.714  -4.267
   24    H    VAL   3           H        VAL   3  -8.877 -23.495  -1.851
   25    HA   VAL   3           HA       VAL   3  -9.388 -22.332   0.032
   26    HB   VAL   3           HB       VAL   3  -8.975 -24.849   1.637
   27   1HG1  VAL   3          1HG1      VAL   3  -9.428 -23.207   3.163
   28   2HG1  VAL   3          2HG1      VAL   3 -11.069 -23.714   2.766
   29   3HG1  VAL   3          3HG1      VAL   3 -10.392 -22.262   2.028
   30   1HG2  VAL   3          1HG2      VAL   3 -11.107 -24.177  -0.322
   31   2HG2  VAL   3          2HG2      VAL   3 -11.584 -24.973   1.178
   32   3HG2  VAL   3          3HG2      VAL   3 -10.414 -25.741   0.105
   33    H    GLU   4           H        GLU   4  -6.517 -22.909  -0.821
   34    HA   GLU   4           HA       GLU   4  -5.139 -22.409   1.720
   35   1HB   GLU   4          2HB       GLU   4  -3.935 -23.006  -0.988
   36   2HB   GLU   4          1HB       GLU   4  -3.085 -22.941   0.549
   37   1HG   GLU   4          2HG       GLU   4  -5.234 -24.931  -0.147
   38   2HG   GLU   4          1HG       GLU   4  -3.500 -25.235  -0.245
   39    H    GLN   5           H        GLN   5  -6.027 -20.927  -1.298
   40    HA   GLN   5           HA       GLN   5  -4.223 -18.690  -0.992
   41   1HB   GLN   5          2HB       GLN   5  -5.246 -17.830  -3.025
   42   2HB   GLN   5          1HB       GLN   5  -4.815 -19.521  -3.226
   43   1HG   GLN   5          2HG       GLN   5  -7.372 -19.776  -2.408
   44   2HG   GLN   5          1HG       GLN   5  -7.454 -18.221  -3.237
   45   1HE2  GLN   5          1HE2      GLN   5  -8.882 -20.327  -4.193
   46   2HE2  GLN   5          2HE2      GLN   5  -8.197 -20.888  -5.675
   47    H    THR   6           H        THR   6  -7.558 -19.450  -0.278
   48    HA   THR   6           HA       THR   6  -8.674 -16.935  -0.019
   49    HB   THR   6           HB       THR   6  -9.552 -18.662   2.138
   50    HG1  THR   6           1HG      THR   6  -9.712 -19.855  -0.421
   51   1HG2  THR   6          1HG2      THR   6 -11.394 -18.663   0.002
   52   2HG2  THR   6          2HG2      THR   6 -10.692 -17.048   0.102
   53   3HG2  THR   6          3HG2      THR   6 -11.464 -17.763   1.517
   54    HA   PRO   7           HA       PRO   7  -7.136 -17.027   4.722
   55   1HB   PRO   7          2HB       PRO   7  -4.573 -18.423   4.096
   56   2HB   PRO   7          1HB       PRO   7  -5.555 -18.476   5.563
   57   1HG   PRO   7          2HG       PRO   7  -5.600 -20.507   3.860
   58   2HG   PRO   7          1HG       PRO   7  -7.095 -19.955   4.635
   59   1HD   PRO   7          2HD       PRO   7  -6.124 -19.506   1.848
   60   2HD   PRO   7          1HD       PRO   7  -7.774 -19.790   2.436
   61    H    LEU   8           H        LEU   8  -4.987 -16.870   1.916
   62    HA   LEU   8           HA       LEU   8  -3.134 -14.999   2.831
   63   1HB   LEU   8          2HB       LEU   8  -3.679 -16.300   0.422
   64   2HB   LEU   8          1HB       LEU   8  -3.831 -14.598   0.034
   65    HG   LEU   8           HG       LEU   8  -1.571 -15.548  -0.396
   66   1HD1  LEU   8          1HD1      LEU   8  -1.469 -13.269  -0.255
   67   2HD1  LEU   8          2HD1      LEU   8  -0.387 -13.719   1.063
   68   3HD1  LEU   8          3HD1      LEU   8  -2.046 -13.230   1.410
   69   1HD2  LEU   8          1HD2      LEU   8  -0.920 -15.479   2.489
   70   2HD2  LEU   8          2HD2      LEU   8  -0.257 -16.478   1.195
   71   3HD2  LEU   8          3HD2      LEU   8  -1.818 -16.881   1.909
   72    H    GLN   9           H        GLN   9  -6.355 -14.534   1.453
   73    HA   GLN   9           HA       GLN   9  -6.224 -11.736   1.129
   74   1HB   GLN   9          2HB       GLN   9  -7.956 -13.129   0.073
   75   2HB   GLN   9          1HB       GLN   9  -8.643 -13.475   1.653
   76   1HG   GLN   9          2HG       GLN   9  -9.113 -11.071   1.938
   77   2HG   GLN   9          1HG       GLN   9  -8.505 -10.785   0.309
   78   1HE2  GLN   9          1HE2      GLN   9  -9.947 -10.799  -1.275
   79   2HE2  GLN   9          2HE2      GLN   9 -11.522 -11.507  -1.202
   80    H    GLU  10           H        GLU  10  -7.278 -13.760   3.847
   81    HA   GLU  10           HA       GLU  10  -8.227 -11.693   5.500
   82   1HB   GLU  10          2HB       GLU  10  -6.942 -14.270   6.421
   83   2HB   GLU  10          1HB       GLU  10  -8.070 -13.269   7.324
   84   1HG   GLU  10          2HG       GLU  10  -9.511 -13.815   5.085
   85   2HG   GLU  10          1HG       GLU  10  -8.567 -15.293   5.268
   86    H    ALA  11           H        ALA  11  -5.014 -13.217   5.295
   87    HA   ALA  11           HA       ALA  11  -3.818 -11.693   7.351
   88   1HB   ALA  11          1HB       ALA  11  -2.793 -13.746   6.605
   89   2HB   ALA  11          2HB       ALA  11  -1.667 -12.411   6.352
   90   3HB   ALA  11          3HB       ALA  11  -2.559 -13.081   4.986
   91    H    LEU  12           H        LEU  12  -3.891 -11.268   3.822
   92    HA   LEU  12           HA       LEU  12  -2.282  -8.976   3.696
   93   1HB   LEU  12          2HB       LEU  12  -3.601 -10.581   1.885
   94   2HB   LEU  12          1HB       LEU  12  -4.441  -9.051   1.727
   95    HG   LEU  12           HG       LEU  12  -1.470  -8.993   1.680
   96   1HD1  LEU  12          1HD1      LEU  12  -1.530 -10.698   0.168
   97   2HD1  LEU  12          2HD1      LEU  12  -1.831  -9.335  -0.908
   98   3HD1  LEU  12          3HD1      LEU  12  -3.174 -10.333  -0.352
   99   1HD2  LEU  12          1HD2      LEU  12  -3.379  -7.110   1.383
  100   2HD2  LEU  12          2HD2      LEU  12  -3.125  -7.577  -0.298
  101   3HD2  LEU  12          3HD2      LEU  12  -1.769  -7.003   0.671
  102    H    ASN  13           H        ASN  13  -5.816  -9.298   3.995
  103    HA   ASN  13           HA       ASN  13  -6.402  -6.542   3.900
  104   1HB   ASN  13          2HB       ASN  13  -7.890  -8.884   5.089
  105   2HB   ASN  13          1HB       ASN  13  -8.536  -7.248   5.111
  106   1HD2  ASN  13          1HD2      ASN  13  -9.775  -9.427   3.853
  107   2HD2  ASN  13          2HD2      ASN  13  -9.806  -9.121   2.154
  108    H    GLN  14           H        GLN  14  -5.632  -8.710   6.587
  109    HA   GLN  14           HA       GLN  14  -6.141  -6.865   8.665
  110   1HB   GLN  14          2HB       GLN  14  -4.913  -9.507   8.401
  111   2HB   GLN  14          1HB       GLN  14  -4.165  -8.525   9.651
  112   1HG   GLN  14          2HG       GLN  14  -5.796  -9.131  11.012
  113   2HG   GLN  14          1HG       GLN  14  -6.909  -8.197  10.015
  114   1HE2  GLN  14          1HE2      GLN  14  -5.555 -11.385  10.577
  115   2HE2  GLN  14          2HE2      GLN  14  -6.827 -12.265   9.810
  116    H    LEU  15           H        LEU  15  -3.238  -7.590   6.768
  117    HA   LEU  15           HA       LEU  15  -1.415  -6.048   8.248
  118   1HB   LEU  15          2HB       LEU  15  -1.446  -6.778   5.321
  119   2HB   LEU  15          1HB       LEU  15  -0.097  -5.982   6.108
  120    HG   LEU  15           HG       LEU  15  -1.125  -8.622   7.108
  121   1HD1  LEU  15          1HD1      LEU  15  -0.530  -8.619   4.606
  122   2HD1  LEU  15          2HD1      LEU  15   0.221  -9.830   5.645
  123   3HD1  LEU  15          3HD1      LEU  15   1.132  -8.403   5.152
  124   1HD2  LEU  15          1HD2      LEU  15   1.729  -7.879   7.171
  125   2HD2  LEU  15          2HD2      LEU  15   0.731  -8.667   8.392
  126   3HD2  LEU  15          3HD2      LEU  15   0.657  -6.917   8.188
  127    H    MET  16           H        MET  16  -3.438  -5.196   5.444
  128    HA   MET  16           HA       MET  16  -2.512  -2.548   5.157
  129   1HB   MET  16          2HB       MET  16  -4.914  -4.063   4.253
  130   2HB   MET  16          1HB       MET  16  -4.988  -2.307   4.188
  131   1HG   MET  16          2HG       MET  16  -2.847  -3.981   2.898
  132   2HG   MET  16          1HG       MET  16  -4.267  -3.342   2.072
  133   1HE   MET  16          1HE       MET  16  -0.542  -2.506   3.105
  134   2HE   MET  16          2HE       MET  16  -0.486  -1.470   1.679
  135   3HE   MET  16          3HE       MET  16  -1.124  -3.109   1.553
  136    H    ARG  17           H        ARG  17  -5.087  -3.948   7.145
  137    HA   ARG  17           HA       ARG  17  -6.245  -1.531   8.007
  138   1HB   ARG  17          2HB       ARG  17  -6.151  -4.307   9.158
  139   2HB   ARG  17          1HB       ARG  17  -6.889  -2.991  10.061
  140   1HG   ARG  17          2HG       ARG  17  -8.050  -2.735   7.594
  141   2HG   ARG  17          1HG       ARG  17  -7.888  -4.483   7.766
  142   1HD   ARG  17          2HD       ARG  17  -9.454  -4.589   9.369
  143   2HD   ARG  17          1HD       ARG  17  -8.859  -3.138  10.175
  144    HE   ARG  17           HE       ARG  17 -10.263  -2.614   7.718
  145   1HH1  ARG  17          1HH1      ARG  17 -10.617  -3.107  11.169
  146   2HH1  ARG  17          2HH1      ARG  17 -12.112  -2.242  11.262
  147   1HH2  ARG  17          1HH2      ARG  17 -12.236  -1.473   7.851
  148   2HH2  ARG  17          2HH2      ARG  17 -13.032  -1.316   9.380
  149    H    GLN  18           H        GLN  18  -3.648  -3.518   9.410
  150    HA   GLN  18           HA       GLN  18  -3.210  -1.818  11.650
  151   1HB   GLN  18          2HB       GLN  18  -1.546  -3.963  10.338
  152   2HB   GLN  18          1HB       GLN  18  -0.971  -3.057  11.730
  153   1HG   GLN  18          2HG       GLN  18  -2.917  -3.832  13.017
  154   2HG   GLN  18          1HG       GLN  18  -3.437  -4.779  11.623
  155   1HE2  GLN  18          1HE2      GLN  18  -1.680  -6.281  10.759
  156   2HE2  GLN  18          2HE2      GLN  18  -0.793  -7.169  11.947
  157    H    LEU  19           H        LEU  19  -1.741  -2.086   8.442
  158    HA   LEU  19           HA       LEU  19   0.335  -0.229   8.806
  159   1HB   LEU  19          2HB       LEU  19   0.471  -1.643   6.930
  160   2HB   LEU  19          1HB       LEU  19  -1.144  -1.231   6.390
  161    HG   LEU  19           HG       LEU  19   0.784   1.006   6.453
  162   1HD1  LEU  19          1HD1      LEU  19   1.869  -1.256   5.535
  163   2HD1  LEU  19          2HD1      LEU  19   2.211   0.327   4.839
  164   3HD1  LEU  19          3HD1      LEU  19   1.024  -0.733   4.078
  165   1HD2  LEU  19          1HD2      LEU  19  -1.310   1.529   5.568
  166   2HD2  LEU  19          2HD2      LEU  19  -1.411   0.016   4.666
  167   3HD2  LEU  19          3HD2      LEU  19  -0.302   1.283   4.142
  168    H    GLN  20           H        GLN  20  -2.988   0.192   7.605
  169    HA   GLN  20           HA       GLN  20  -2.743   2.972   7.096
  170   1HB   GLN  20          2HB       GLN  20  -4.502   1.353   6.189
  171   2HB   GLN  20          1HB       GLN  20  -5.323   1.554   7.730
  172   1HG   GLN  20          2HG       GLN  20  -4.633   4.104   6.573
  173   2HG   GLN  20          1HG       GLN  20  -5.591   3.128   5.462
  174   1HE2  GLN  20          1HE2      GLN  20  -7.547   4.041   5.577
  175   2HE2  GLN  20          2HE2      GLN  20  -8.457   4.251   7.023
  176    H    ARG  21           H        ARG  21  -3.741   1.095   9.904
  177    HA   ARG  21           HA       ARG  21  -4.796   3.201  11.445
  178   1HB   ARG  21          2HB       ARG  21  -4.807   0.578  11.770
  179   2HB   ARG  21          1HB       ARG  21  -3.400   0.918  12.765
  180   1HG   ARG  21          2HG       ARG  21  -5.343   2.764  13.565
  181   2HG   ARG  21          1HG       ARG  21  -6.190   1.228  13.369
  182   1HD   ARG  21          2HD       ARG  21  -5.471   1.071  15.550
  183   2HD   ARG  21          1HD       ARG  21  -4.157   0.264  14.694
  184    HE   ARG  21           HE       ARG  21  -2.750   1.965  15.307
  185   1HH1  ARG  21          1HH1      ARG  21  -6.055   2.982  15.872
  186   2HH1  ARG  21          2HH1      ARG  21  -5.599   4.419  16.721
  187   1HH2  ARG  21          1HH2      ARG  21  -2.155   3.870  16.423
  188   2HH2  ARG  21          2HH2      ARG  21  -3.385   4.923  17.034
  189    H    LYS  22           H        LYS  22  -1.544   2.509  10.593
  190    HA   LYS  22           HA       LYS  22   0.011   3.208  12.707
  191   1HB   LYS  22          2HB       LYS  22   0.315   3.966   9.801
  192   2HB   LYS  22          1HB       LYS  22   1.562   4.286  11.000
  193   1HG   LYS  22          2HG       LYS  22   0.553   1.518  10.895
  194   2HG   LYS  22          1HG       LYS  22   1.464   2.071   9.487
  195   1HD   LYS  22          2HD       LYS  22   3.385   1.889  10.588
  196   2HD   LYS  22          1HD       LYS  22   2.779   2.893  11.908
  197   1HE   LYS  22          2HE       LYS  22   1.606   0.846  12.781
  198   2HE   LYS  22          1HE       LYS  22   2.489  -0.087  11.576
  199   1HZ   LYS  22          1HZ       LYS  22   3.892  -0.286  13.334
  200   2HZ   LYS  22          2HZ       LYS  22   3.468   1.204  14.011
  201   3HZ   LYS  22          3HZ       LYS  22   4.516   1.147  12.685
  202    H    ASP  23           H        ASP  23  -0.685   5.704  10.263
  203    HA   ASP  23           HA       ASP  23  -1.995   7.596  11.665
  204   1HB   ASP  23          2HB       ASP  23   0.505   7.286  12.915
  205   2HB   ASP  23          1HB       ASP  23   0.590   8.800  12.027
  206    HA   PRO  24           HA       PRO  24   0.734   9.833   8.288
  207   1HB   PRO  24          2HB       PRO  24   2.199   7.534   7.162
  208   2HB   PRO  24          1HB       PRO  24   2.790   9.141   7.595
  209   1HG   PRO  24          2HG       PRO  24   3.406   6.977   9.057
  210   2HG   PRO  24          1HG       PRO  24   3.143   8.562   9.801
  211   1HD   PRO  24          2HD       PRO  24   1.312   6.207   9.681
  212   2HD   PRO  24          1HD       PRO  24   1.618   7.339  11.010
  213    H    SER  25           H        SER  25  -0.630   6.631   8.007
  214    HA   SER  25           HA       SER  25  -1.147   6.642   5.229
  215   1HB   SER  25          2HB       SER  25  -1.285   4.715   7.071
  216   2HB   SER  25          1HB       SER  25  -2.987   5.175   7.054
  217    HG   SER  25           HG       SER  25  -1.707   3.648   5.321
  218    H    ALA  26           H        ALA  26  -2.711   8.227   7.885
  219    HA   ALA  26           HA       ALA  26  -5.328   8.473   7.009
  220   1HB   ALA  26          1HB       ALA  26  -5.010  10.873   8.130
  221   2HB   ALA  26          2HB       ALA  26  -3.544  10.094   8.724
  222   3HB   ALA  26          3HB       ALA  26  -5.120   9.387   9.072
  223    H    PHE  27           H        PHE  27  -2.447  10.076   5.822
  224    HA   PHE  27           HA       PHE  27  -3.865  12.070   4.316
  225   1HB   PHE  27          2HB       PHE  27  -0.981  11.172   4.142
  226   2HB   PHE  27          1HB       PHE  27  -1.658  12.595   3.356
  227    HD1  PHE  27           1HD      PHE  27  -0.806  11.090   6.610
  228    HD2  PHE  27           2HD      PHE  27  -2.031  14.605   4.552
  229    HE1  PHE  27           1HE      PHE  27  -0.340  12.424   8.625
  230    HE2  PHE  27           2HE      PHE  27  -1.567  15.948   6.561
  231    HZ   PHE  27           HZ       PHE  27  -0.722  14.858   8.601
  232    H    PHE  28           H        PHE  28  -2.741   8.816   3.744
  233    HA   PHE  28           HA       PHE  28  -3.707   9.005   0.967
  234   1HB   PHE  28          2HB       PHE  28  -1.483   7.249   2.030
  235   2HB   PHE  28          1HB       PHE  28  -2.073   7.265   0.372
  236    HD1  PHE  28           2HD      PHE  28  -2.348  10.109  -0.180
  237    HD2  PHE  28           1HD      PHE  28   0.691   8.025   1.947
  238    HE1  PHE  28           2HE      PHE  28  -0.746  11.886  -0.738
  239    HE2  PHE  28           1HE      PHE  28   2.301   9.800   1.392
  240    HZ   PHE  28           HZ       PHE  28   1.583  11.733   0.046
  241    H    SER  29           H        SER  29  -5.254   8.384   3.314
  242    HA   SER  29           HA       SER  29  -5.692   5.510   3.205
  243   1HB   SER  29          2HB       SER  29  -6.832   5.723   5.211
  244   2HB   SER  29          1HB       SER  29  -5.696   7.062   5.329
  245    HG   SER  29           HG       SER  29  -7.293   8.470   5.025
  246    H    PHE  30           H        PHE  30  -6.843   8.262   1.614
  247    HA   PHE  30           HA       PHE  30  -9.193   6.776   0.673
  248   1HB   PHE  30          2HB       PHE  30  -9.144   9.343   2.065
  249   2HB   PHE  30          1HB       PHE  30  -9.951   9.442   0.505
  250    HD1  PHE  30           1HD      PHE  30  -9.852   7.113   3.429
  251    HD2  PHE  30           2HD      PHE  30 -12.215   9.135   0.524
  252    HE1  PHE  30           1HE      PHE  30 -11.889   6.161   4.427
  253    HE2  PHE  30           2HE      PHE  30 -14.255   8.187   1.516
  254    HZ   PHE  30           HZ       PHE  30 -14.095   6.698   3.470
  255    HA   PRO  31           HA       PRO  31  -7.886   7.728  -3.419
  256   1HB   PRO  31          2HB       PRO  31 -10.235   8.424  -4.652
  257   2HB   PRO  31          1HB       PRO  31  -9.766   6.760  -4.293
  258   1HG   PRO  31          2HG       PRO  31 -11.592   8.581  -2.777
  259   2HG   PRO  31          1HG       PRO  31 -11.783   6.857  -3.147
  260   1HD   PRO  31          2HD       PRO  31 -10.966   7.698  -0.731
  261   2HD   PRO  31          1HD       PRO  31 -10.341   6.204  -1.458
  262    H    VAL  32           H        VAL  32  -6.626   9.508  -3.518
  263    HA   VAL  32           HA       VAL  32  -7.236  12.076  -2.737
  264    HB   VAL  32           HB       VAL  32  -5.487  12.769  -4.540
  265   1HG1  VAL  32          1HG1      VAL  32  -3.678  11.998  -3.036
  266   2HG1  VAL  32          2HG1      VAL  32  -4.852  10.989  -2.191
  267   3HG1  VAL  32          3HG1      VAL  32  -5.028  12.744  -2.179
  268   1HG2  VAL  32          1HG2      VAL  32  -4.429  10.055  -4.417
  269   2HG2  VAL  32          2HG2      VAL  32  -4.502  11.187  -5.768
  270   3HG2  VAL  32          3HG2      VAL  32  -5.906  10.200  -5.368
  271    H    THR  33           H        THR  33  -7.934  13.949  -3.737
  272    HA   THR  33           HA       THR  33  -9.088  13.699  -6.423
  273    HB   THR  33           HB       THR  33 -10.690  15.290  -4.520
  274    HG1  THR  33           1HG      THR  33 -10.326  13.578  -3.157
  275   1HG2  THR  33          1HG2      THR  33 -12.240  13.327  -5.778
  276   2HG2  THR  33          2HG2      THR  33 -11.087  13.902  -6.981
  277   3HG2  THR  33          3HG2      THR  33 -12.145  15.046  -6.155
  278    H    ASP  34           H        ASP  34 -10.248  16.228  -6.576
  279    HA   ASP  34           HA       ASP  34  -7.934  17.855  -6.989
  280   1HB   ASP  34          2HB       ASP  34 -10.428  17.715  -8.122
  281   2HB   ASP  34          1HB       ASP  34 -10.541  19.184  -7.164
  282    H    PHE  35           H        PHE  35  -9.611  17.238  -4.213
  283    HA   PHE  35           HA       PHE  35  -9.026  19.906  -3.109
  284   1HB   PHE  35          2HB       PHE  35 -11.094  18.042  -1.957
  285   2HB   PHE  35          1HB       PHE  35 -10.895  19.766  -1.672
  286    HD1  PHE  35           1HD      PHE  35 -11.726  17.338  -4.370
  287    HD2  PHE  35           2HD      PHE  35 -12.206  21.276  -2.829
  288    HE1  PHE  35           1HE      PHE  35 -13.390  17.815  -6.118
  289    HE2  PHE  35           2HE      PHE  35 -13.869  21.761  -4.575
  290    HZ   PHE  35           HZ       PHE  35 -14.463  20.030  -6.223
  291    H    ILE  36           H        ILE  36  -9.237  16.435  -2.419
  292    HA   ILE  36           HA       ILE  36  -7.907  16.558   0.083
  293    HB   ILE  36           HB       ILE  36  -8.624  14.356  -1.821
  294   1HG1  ILE  36          2HG1      ILE  36  -9.413  13.760   0.792
  295   2HG1  ILE  36          1HG1      ILE  36  -9.635  15.501   0.649
  296   1HG2  ILE  36          1HG2      ILE  36  -7.671  12.754  -0.104
  297   2HG2  ILE  36          2HG2      ILE  36  -6.750  14.125   0.514
  298   3HG2  ILE  36          3HG2      ILE  36  -6.512  13.580  -1.147
  299   1HD1  ILE  36          1HD1      ILE  36 -10.777  13.455  -1.238
  300   2HD1  ILE  36          2HD1      ILE  36 -11.062  15.196  -1.270
  301   3HD1  ILE  36          3HD1      ILE  36 -11.653  14.230   0.082
  302    H    ALA  37           H        ALA  37  -6.854  16.168  -3.251
  303    HA   ALA  37           HA       ALA  37  -4.049  16.043  -2.337
  304   1HB   ALA  37          1HB       ALA  37  -5.461  14.870  -4.679
  305   2HB   ALA  37          2HB       ALA  37  -4.235  14.163  -3.627
  306   3HB   ALA  37          3HB       ALA  37  -3.771  15.333  -4.861
  307    HA   PRO  38           HA       PRO  38  -3.361  19.979  -4.180
  308   1HB   PRO  38          2HB       PRO  38  -0.637  19.426  -4.861
  309   2HB   PRO  38          1HB       PRO  38  -1.245  20.326  -3.473
  310   1HG   PRO  38          2HG       PRO  38   0.001  17.861  -3.350
  311   2HG   PRO  38          1HG       PRO  38  -1.039  18.539  -2.091
  312   1HD   PRO  38          2HD       PRO  38  -1.646  16.471  -4.143
  313   2HD   PRO  38          1HD       PRO  38  -2.258  16.637  -2.488
  314    H    GLY  39           H        GLY  39  -3.472  17.325  -5.983
  315   1HA   GLY  39          2HA       GLY  39  -4.316  17.988  -8.319
  316   2HA   GLY  39          1HA       GLY  39  -2.692  18.638  -8.493
  317    H    TYR  40           H        TYR  40  -3.548  15.641  -6.827
  318    HA   TYR  40           HA       TYR  40  -1.556  14.109  -8.039
  319   1HB   TYR  40          2HB       TYR  40  -4.024  13.483  -6.484
  320   2HB   TYR  40          1HB       TYR  40  -3.270  12.168  -7.378
  321    HD1  TYR  40           2HD      TYR  40  -1.816  15.028  -5.466
  322    HD2  TYR  40           1HD      TYR  40  -2.160  10.796  -5.852
  323    HE1  TYR  40           2HE      TYR  40  -0.209  14.733  -3.632
  324    HE2  TYR  40           1HE      TYR  40  -0.554  10.497  -4.020
  325    HH   TYR  40           HH       TYR  40   0.400  13.034  -1.969
  326    H    SER  41           H        SER  41  -4.981  14.475  -8.910
  327    HA   SER  41           HA       SER  41  -5.015  12.594 -10.996
  328   1HB   SER  41          2HB       SER  41  -6.725  14.879 -10.171
  329   2HB   SER  41          1HB       SER  41  -6.899  14.319 -11.835
  330    HG   SER  41           HG       SER  41  -8.209  12.952 -10.865
  331    H    MET  42           H        MET  42  -3.713  15.818 -10.871
  332    HA   MET  42           HA       MET  42  -3.709  16.282 -13.687
  333   1HB   MET  42          2HB       MET  42  -3.576  17.981 -11.724
  334   2HB   MET  42          1HB       MET  42  -1.850  17.650 -11.774
  335   1HG   MET  42          2HG       MET  42  -1.575  18.638 -13.823
  336   2HG   MET  42          1HG       MET  42  -3.252  18.375 -14.296
  337   1HE   MET  42          1HE       MET  42  -4.882  21.616 -13.702
  338   2HE   MET  42          2HE       MET  42  -5.288  19.912 -13.500
  339   3HE   MET  42          3HE       MET  42  -4.382  20.441 -14.917
  340    H    ILE  43           H        ILE  43  -1.147  15.343 -11.370
  341    HA   ILE  43           HA       ILE  43   0.579  14.712 -13.663
  342    HB   ILE  43           HB       ILE  43   1.237  16.244 -11.620
  343   1HG1  ILE  43          2HG1      ILE  43   3.492  14.470 -12.201
  344   2HG1  ILE  43          1HG1      ILE  43   2.602  14.958 -13.641
  345   1HG2  ILE  43          1HG2      ILE  43   2.556  15.014  -9.945
  346   2HG2  ILE  43          2HG2      ILE  43   1.942  13.500 -10.602
  347   3HG2  ILE  43          3HG2      ILE  43   0.833  14.654  -9.861
  348   1HD1  ILE  43          1HD1      ILE  43   3.015  17.236 -11.974
  349   2HD1  ILE  43          2HD1      ILE  43   3.587  16.932 -13.614
  350   3HD1  ILE  43          3HD1      ILE  43   4.548  16.405 -12.233
  351    H    ILE  44           H        ILE  44  -0.577  13.321 -10.609
  352    HA   ILE  44           HA       ILE  44   0.548  10.726 -11.297
  353    HB   ILE  44           HB       ILE  44  -0.910  11.717  -8.844
  354   1HG1  ILE  44          2HG1      ILE  44   1.292  12.569  -8.867
  355   2HG1  ILE  44          1HG1      ILE  44   1.337  11.179  -7.792
  356   1HG2  ILE  44          1HG2      ILE  44   0.163   8.968  -9.432
  357   2HG2  ILE  44          2HG2      ILE  44  -1.513   9.412  -9.124
  358   3HG2  ILE  44          3HG2      ILE  44  -0.320   9.528  -7.833
  359   1HD1  ILE  44          1HD1      ILE  44   3.223  10.807  -8.996
  360   2HD1  ILE  44          2HD1      ILE  44   2.581  11.566 -10.452
  361   3HD1  ILE  44          3HD1      ILE  44   2.065   9.941 -10.005
  362    H    LYS  45           H        LYS  45  -0.708  10.207 -13.101
  363    HA   LYS  45           HA       LYS  45  -3.497  10.290 -13.259
  364   1HB   LYS  45          2HB       LYS  45  -1.364   8.788 -14.714
  365   2HB   LYS  45          1HB       LYS  45  -3.051   8.385 -15.007
  366   1HG   LYS  45          2HG       LYS  45  -3.368  10.903 -15.425
  367   2HG   LYS  45          1HG       LYS  45  -1.610  10.950 -15.563
  368   1HD   LYS  45          2HD       LYS  45  -2.605   8.763 -17.110
  369   2HD   LYS  45          1HD       LYS  45  -3.502  10.221 -17.535
  370   1HE   LYS  45          2HE       LYS  45  -0.525  10.333 -17.318
  371   2HE   LYS  45          1HE       LYS  45  -1.262   9.631 -18.758
  372   1HZ   LYS  45          1HZ       LYS  45  -0.725  12.204 -18.541
  373   2HZ   LYS  45          2HZ       LYS  45  -2.283  12.223 -17.886
  374   3HZ   LYS  45          3HZ       LYS  45  -2.030  11.628 -19.450
  375    H    HIS  46           H        HIS  46  -1.367   7.663 -12.150
  376    HA   HIS  46           HA       HIS  46  -3.786   6.213 -11.302
  377   1HB   HIS  46          2HB       HIS  46  -2.298   4.146 -11.446
  378   2HB   HIS  46          1HB       HIS  46  -2.780   4.889 -12.966
  379    HD1  HIS  46           1HD      HIS  46   0.208   4.780 -10.634
  380    HD2  HIS  46           2HD      HIS  46  -0.707   5.518 -14.623
  381    HE1  HIS  46           1HE      HIS  46   2.428   5.022 -11.807
  382    HE2  HIS  46           2HE      HIS  46   1.843   5.592 -14.189
  383    HA   PRO  47           HA       PRO  47  -1.524   6.847  -7.367
  384   1HB   PRO  47          2HB       PRO  47  -3.337   8.344  -6.120
  385   2HB   PRO  47          1HB       PRO  47  -2.203   9.037  -7.274
  386   1HG   PRO  47          2HG       PRO  47  -5.101   8.614  -7.535
  387   2HG   PRO  47          1HG       PRO  47  -4.043   9.696  -8.457
  388   1HD   PRO  47          2HD       PRO  47  -5.004   7.051  -9.173
  389   2HD   PRO  47          1HD       PRO  47  -4.072   8.193 -10.161
  390    H    MET  48           H        MET  48  -2.010   4.609  -7.231
  391    HA   MET  48           HA       MET  48  -4.496   3.572  -6.307
  392   1HB   MET  48          2HB       MET  48  -1.822   2.211  -6.022
  393   2HB   MET  48          1HB       MET  48  -3.408   1.458  -6.137
  394   1HG   MET  48          2HG       MET  48  -1.839   2.830  -8.292
  395   2HG   MET  48          1HG       MET  48  -2.373   1.154  -8.232
  396   1HE   MET  48          1HE       MET  48  -6.221   1.502  -8.753
  397   2HE   MET  48          2HE       MET  48  -5.188   1.135  -7.374
  398   3HE   MET  48          3HE       MET  48  -4.883   0.369  -8.933
  399    H    ASP  49           H        ASP  49  -4.944   4.975  -4.514
  400    HA   ASP  49           HA       ASP  49  -3.350   5.139  -2.196
  401   1HB   ASP  49          2HB       ASP  49  -6.344   5.451  -2.495
  402   2HB   ASP  49          1HB       ASP  49  -5.410   5.934  -1.082
  403    H    PHE  50           H        PHE  50  -4.290   4.352   0.014
  404    HA   PHE  50           HA       PHE  50  -4.112   1.542   0.054
  405   1HB   PHE  50          2HB       PHE  50  -3.515   2.196   2.129
  406   2HB   PHE  50          1HB       PHE  50  -4.408   3.705   2.003
  407    HD1  PHE  50           2HD      PHE  50  -6.919   3.622   2.395
  408    HD2  PHE  50           1HD      PHE  50  -4.269   0.483   3.495
  409    HE1  PHE  50           2HE      PHE  50  -8.599   2.765   3.980
  410    HE2  PHE  50           1HE      PHE  50  -5.938  -0.379   5.082
  411    HZ   PHE  50           HZ       PHE  50  -8.108   0.764   5.326
  412    H    SER  51           H        SER  51  -6.870   3.727  -0.037
  413    HA   SER  51           HA       SER  51  -8.834   1.754   0.616
  414   1HB   SER  51          2HB       SER  51 -10.227   3.660  -0.755
  415   2HB   SER  51          1HB       SER  51  -9.840   3.754   0.963
  416    HG   SER  51           HG       SER  51  -8.253   5.159   0.544
  417    H    THR  52           H        THR  52  -7.632   3.131  -2.424
  418    HA   THR  52           HA       THR  52  -9.431   1.816  -4.138
  419    HB   THR  52           HB       THR  52  -6.603   2.441  -4.951
  420    HG1  THR  52           1HG      THR  52  -7.111   4.588  -5.077
  421   1HG2  THR  52          1HG2      THR  52  -7.605   3.159  -7.021
  422   2HG2  THR  52          2HG2      THR  52  -9.219   2.866  -6.373
  423   3HG2  THR  52          3HG2      THR  52  -8.118   1.514  -6.645
  424    H    MET  53           H        MET  53  -6.115   0.936  -3.172
  425    HA   MET  53           HA       MET  53  -6.056  -1.516  -4.559
  426   1HB   MET  53          2HB       MET  53  -4.091  -2.047  -3.237
  427   2HB   MET  53          1HB       MET  53  -4.026  -0.370  -3.756
  428   1HG   MET  53          2HG       MET  53  -3.498   0.045  -1.632
  429   2HG   MET  53          1HG       MET  53  -5.226  -0.124  -1.341
  430   1HE   MET  53          1HE       MET  53  -2.014  -2.113  -1.853
  431   2HE   MET  53          2HE       MET  53  -1.966  -3.228  -0.487
  432   3HE   MET  53          3HE       MET  53  -1.717  -1.501  -0.225
  433    H    LYS  54           H        LYS  54  -7.011  -0.704  -1.231
  434    HA   LYS  54           HA       LYS  54  -7.327  -3.302  -0.244
  435   1HB   LYS  54          2HB       LYS  54  -8.359  -0.622   0.499
  436   2HB   LYS  54          1HB       LYS  54  -9.246  -2.003   1.128
  437   1HG   LYS  54          2HG       LYS  54  -6.342  -2.202   1.441
  438   2HG   LYS  54          1HG       LYS  54  -7.080  -0.858   2.311
  439   1HD   LYS  54          2HD       LYS  54  -7.956  -3.742   2.487
  440   2HD   LYS  54          1HD       LYS  54  -6.951  -2.909   3.674
  441   1HE   LYS  54          2HE       LYS  54  -9.383  -1.442   3.083
  442   2HE   LYS  54          1HE       LYS  54  -9.723  -3.071   3.660
  443   1HZ   LYS  54          1HZ       LYS  54  -7.715  -1.585   5.148
  444   2HZ   LYS  54          2HZ       LYS  54  -8.942  -2.604   5.704
  445   3HZ   LYS  54          3HZ       LYS  54  -9.300  -1.009   5.272
  446    H    GLU  55           H        GLU  55  -9.639  -1.212  -1.955
  447    HA   GLU  55           HA       GLU  55 -11.856  -2.939  -1.758
  448   1HB   GLU  55          2HB       GLU  55 -11.812  -0.489  -2.510
  449   2HB   GLU  55          1HB       GLU  55 -11.333  -1.096  -4.088
  450   1HG   GLU  55          2HG       GLU  55 -13.492  -1.264  -4.553
  451   2HG   GLU  55          1HG       GLU  55 -13.538  -2.629  -3.439
  452    H    LYS  56           H        LYS  56  -9.179  -2.731  -4.045
  453    HA   LYS  56           HA       LYS  56 -10.204  -4.632  -5.893
  454   1HB   LYS  56          2HB       LYS  56  -7.683  -3.179  -5.482
  455   2HB   LYS  56          1HB       LYS  56  -7.487  -4.769  -6.207
  456   1HG   LYS  56          2HG       LYS  56  -7.670  -3.204  -7.974
  457   2HG   LYS  56          1HG       LYS  56  -9.184  -4.108  -7.920
  458   1HD   LYS  56          2HD       LYS  56  -9.161  -1.675  -6.278
  459   2HD   LYS  56          1HD       LYS  56  -8.983  -1.386  -8.007
  460   1HE   LYS  56          2HE       LYS  56 -11.152  -3.102  -6.812
  461   2HE   LYS  56          1HE       LYS  56 -11.346  -1.385  -7.158
  462   1HZ   LYS  56          1HZ       LYS  56 -10.779  -1.901  -9.503
  463   2HZ   LYS  56          2HZ       LYS  56 -12.214  -2.628  -8.980
  464   3HZ   LYS  56          3HZ       LYS  56 -10.802  -3.550  -9.117
  465    H    ILE  57           H        ILE  57  -8.135  -4.888  -3.013
  466    HA   ILE  57           HA       ILE  57  -7.333  -7.560  -3.346
  467    HB   ILE  57           HB       ILE  57  -7.930  -6.487  -0.606
  468   1HG1  ILE  57          2HG1      ILE  57  -5.757  -5.587  -2.487
  469   2HG1  ILE  57          1HG1      ILE  57  -6.814  -4.614  -1.473
  470   1HG2  ILE  57          1HG2      ILE  57  -6.492  -8.063   0.125
  471   2HG2  ILE  57          2HG2      ILE  57  -5.418  -7.885  -1.261
  472   3HG2  ILE  57          3HG2      ILE  57  -6.897  -8.834  -1.410
  473   1HD1  ILE  57          1HD1      ILE  57  -4.586  -6.373  -0.486
  474   2HD1  ILE  57          2HD1      ILE  57  -5.633  -5.362   0.510
  475   3HD1  ILE  57          3HD1      ILE  57  -4.529  -4.619  -0.647
  476    H    LYS  58           H        LYS  58 -10.254  -6.185  -1.890
  477    HA   LYS  58           HA       LYS  58 -11.328  -8.537  -0.809
  478   1HB   LYS  58          2HB       LYS  58 -12.147  -5.858  -1.118
  479   2HB   LYS  58          1HB       LYS  58 -13.413  -6.836  -1.847
  480   1HG   LYS  58          2HG       LYS  58 -12.386  -7.620   0.830
  481   2HG   LYS  58          1HG       LYS  58 -13.447  -6.215   0.705
  482   1HD   LYS  58          2HD       LYS  58 -15.244  -7.507   0.440
  483   2HD   LYS  58          1HD       LYS  58 -14.466  -8.425  -0.851
  484   1HE   LYS  58          2HE       LYS  58 -14.898 -10.032   0.779
  485   2HE   LYS  58          1HE       LYS  58 -13.201  -9.623   1.036
  486   1HZ   LYS  58          1HZ       LYS  58 -14.334  -7.889   2.679
  487   2HZ   LYS  58          2HZ       LYS  58 -13.922  -9.456   3.159
  488   3HZ   LYS  58          3HZ       LYS  58 -15.517  -9.097   2.727
  489    H    ASN  59           H        ASN  59 -11.100  -7.488  -4.115
  490    HA   ASN  59           HA       ASN  59 -13.019  -9.525  -4.996
  491   1HB   ASN  59          2HB       ASN  59 -11.859  -7.057  -6.216
  492   2HB   ASN  59          1HB       ASN  59 -12.378  -8.353  -7.285
  493   1HD2  ASN  59          1HD2      ASN  59 -13.419  -6.051  -4.864
  494   2HD2  ASN  59          2HD2      ASN  59 -15.099  -6.109  -5.261
  495    H    ASN  60           H        ASN  60 -10.160  -9.968  -3.988
  496    HA   ASN  60           HA       ASN  60  -8.396 -11.315  -4.436
  497   1HB   ASN  60          2HB       ASN  60 -10.630 -12.522  -5.706
  498   2HB   ASN  60          1HB       ASN  60  -9.258 -12.685  -6.798
  499   1HD2  ASN  60          1HD2      ASN  60 -10.064 -13.031  -3.359
  500   2HD2  ASN  60          2HD2      ASN  60  -9.107 -14.446  -3.105
  501    H    ASP  61           H        ASP  61  -8.757  -8.691  -5.867
  502    HA   ASP  61           HA       ASP  61  -7.463  -9.011  -8.413
  503   1HB   ASP  61          2HB       ASP  61  -8.983  -7.034  -7.303
  504   2HB   ASP  61          1HB       ASP  61  -7.367  -6.361  -7.124
  505    H    TYR  62           H        TYR  62  -6.495  -8.284  -5.119
  506    HA   TYR  62           HA       TYR  62  -3.685  -8.363  -5.985
  507   1HB   TYR  62          2HB       TYR  62  -4.914  -6.615  -3.842
  508   2HB   TYR  62          1HB       TYR  62  -3.182  -6.795  -4.098
  509    HD1  TYR  62           2HD      TYR  62  -2.514  -6.447  -6.716
  510    HD2  TYR  62           1HD      TYR  62  -5.864  -4.721  -4.736
  511    HE1  TYR  62           2HE      TYR  62  -2.599  -4.673  -8.415
  512    HE2  TYR  62           1HE      TYR  62  -5.951  -2.941  -6.428
  513    HH   TYR  62           HH       TYR  62  -5.204  -2.706  -8.891
  514    H    GLN  63           H        GLN  63  -3.040 -10.331  -5.418
  515    HA   GLN  63           HA       GLN  63  -3.188 -11.097  -2.607
  516   1HB   GLN  63          2HB       GLN  63  -4.141 -12.820  -4.901
  517   2HB   GLN  63          1HB       GLN  63  -3.780 -13.453  -3.301
  518   1HG   GLN  63          2HG       GLN  63  -5.716 -11.206  -3.572
  519   2HG   GLN  63          1HG       GLN  63  -6.224 -12.842  -3.982
  520   1HE2  GLN  63          1HE2      GLN  63  -5.870 -14.500  -2.311
  521   2HE2  GLN  63          2HE2      GLN  63  -6.063 -14.045  -0.657
  522    H    SER  64           H        SER  64  -1.207 -10.187  -4.707
  523    HA   SER  64           HA       SER  64   0.741 -12.341  -4.305
  524   1HB   SER  64          2HB       SER  64   0.623 -10.560  -6.752
  525   2HB   SER  64          1HB       SER  64   1.683 -11.943  -6.489
  526    HG   SER  64           HG       SER  64  -0.995 -11.864  -7.216
  527    H    ILE  65           H        ILE  65   2.632 -11.721  -3.507
  528    HA   ILE  65           HA       ILE  65   2.984  -9.322  -2.193
  529    HB   ILE  65           HB       ILE  65   5.419  -9.909  -2.124
  530   1HG1  ILE  65          2HG1      ILE  65   5.536 -12.524  -2.915
  531   2HG1  ILE  65          1HG1      ILE  65   4.534 -11.823  -4.180
  532   1HG2  ILE  65          1HG2      ILE  65   4.919 -12.185  -0.952
  533   2HG2  ILE  65          2HG2      ILE  65   3.240 -11.741  -1.261
  534   3HG2  ILE  65          3HG2      ILE  65   4.270 -10.680  -0.298
  535   1HD1  ILE  65          1HD1      ILE  65   7.031 -10.404  -3.449
  536   2HD1  ILE  65          2HD1      ILE  65   6.227 -10.559  -5.012
  537   3HD1  ILE  65          3HD1      ILE  65   7.160 -11.909  -4.361
  538    H    GLU  66           H        GLU  66   4.000 -10.235  -5.458
  539    HA   GLU  66           HA       GLU  66   5.498  -7.871  -5.975
  540   1HB   GLU  66          2HB       GLU  66   5.537 -10.154  -7.206
  541   2HB   GLU  66          1HB       GLU  66   4.168  -9.521  -8.108
  542   1HG   GLU  66          2HG       GLU  66   5.641  -7.531  -8.661
  543   2HG   GLU  66          1HG       GLU  66   6.982  -8.484  -8.028
  544    H    GLU  67           H        GLU  67   2.153  -8.860  -6.621
  545    HA   GLU  67           HA       GLU  67   1.414  -6.559  -8.097
  546   1HB   GLU  67          2HB       GLU  67  -0.146  -8.665  -6.615
  547   2HB   GLU  67          1HB       GLU  67  -0.946  -7.311  -7.406
  548   1HG   GLU  67          2HG       GLU  67   0.917  -8.528  -9.211
  549   2HG   GLU  67          1HG       GLU  67  -0.163  -9.749  -8.538
  550    H    LEU  68           H        LEU  68   0.980  -7.448  -4.679
  551    HA   LEU  68           HA       LEU  68  -0.411  -5.170  -3.845
  552   1HB   LEU  68          2HB       LEU  68   1.287  -7.214  -2.499
  553   2HB   LEU  68          1HB       LEU  68   0.926  -5.750  -1.610
  554    HG   LEU  68           HG       LEU  68  -0.632  -7.515  -1.025
  555   1HD1  LEU  68          1HD1      LEU  68  -1.656  -5.467  -0.763
  556   2HD1  LEU  68          2HD1      LEU  68  -2.786  -6.309  -1.824
  557   3HD1  LEU  68          3HD1      LEU  68  -1.662  -5.125  -2.493
  558   1HD2  LEU  68          1HD2      LEU  68  -0.643  -8.885  -2.959
  559   2HD2  LEU  68          2HD2      LEU  68  -1.224  -7.566  -3.975
  560   3HD2  LEU  68          3HD2      LEU  68  -2.284  -8.275  -2.757
  561    H    LYS  69           H        LYS  69   3.045  -5.774  -4.179
  562    HA   LYS  69           HA       LYS  69   3.887  -3.331  -2.988
  563   1HB   LYS  69          2HB       LYS  69   5.179  -5.604  -3.616
  564   2HB   LYS  69          1HB       LYS  69   5.634  -4.627  -5.007
  565   1HG   LYS  69          2HG       LYS  69   6.702  -3.018  -3.656
  566   2HG   LYS  69          1HG       LYS  69   5.978  -3.667  -2.184
  567   1HD   LYS  69          2HD       LYS  69   7.700  -5.457  -3.828
  568   2HD   LYS  69          1HD       LYS  69   8.476  -4.215  -2.847
  569   1HE   LYS  69          2HE       LYS  69   6.620  -6.389  -1.884
  570   2HE   LYS  69          1HE       LYS  69   8.356  -6.275  -1.592
  571   1HZ   LYS  69          1HZ       LYS  69   7.505  -3.933  -0.620
  572   2HZ   LYS  69          2HZ       LYS  69   7.689  -5.328   0.316
  573   3HZ   LYS  69          3HZ       LYS  69   6.165  -4.909  -0.279
  574    H    ASP  70           H        ASP  70   3.184  -4.337  -6.301
  575    HA   ASP  70           HA       ASP  70   4.218  -2.133  -7.663
  576   1HB   ASP  70          2HB       ASP  70   2.986  -4.411  -8.434
  577   2HB   ASP  70          1HB       ASP  70   1.678  -3.261  -8.694
  578    H    ASN  71           H        ASN  71   0.960  -2.609  -6.298
  579    HA   ASN  71           HA       ASN  71   0.001  -0.059  -7.144
  580   1HB   ASN  71          2HB       ASN  71  -1.035  -2.357  -5.686
  581   2HB   ASN  71          1HB       ASN  71  -1.596  -0.832  -5.006
  582   1HD2  ASN  71          1HD2      ASN  71  -3.629  -0.696  -5.691
  583   2HD2  ASN  71          2HD2      ASN  71  -4.131  -0.777  -7.340
  584    H    PHE  72           H        PHE  72   1.083  -1.315  -3.982
  585    HA   PHE  72           HA       PHE  72   0.702   1.046  -2.525
  586   1HB   PHE  72          2HB       PHE  72   1.309  -1.357  -1.709
  587   2HB   PHE  72          1HB       PHE  72   2.975  -0.827  -1.916
  588    HD1  PHE  72           2HD      PHE  72  -0.207   0.236  -0.287
  589    HD2  PHE  72           1HD      PHE  72   4.048   0.208  -0.150
  590    HE1  PHE  72           2HE      PHE  72  -0.274   1.298   1.930
  591    HE2  PHE  72           1HE      PHE  72   3.986   1.270   2.068
  592    HZ   PHE  72           HZ       PHE  72   1.824   1.816   3.110
  593    H    LYS  73           H        LYS  73   3.502  -0.105  -4.371
  594    HA   LYS  73           HA       LYS  73   5.224   2.033  -3.670
  595   1HB   LYS  73          2HB       LYS  73   5.230   0.018  -5.902
  596   2HB   LYS  73          1HB       LYS  73   6.421   1.311  -5.844
  597   1HG   LYS  73          2HG       LYS  73   6.888   0.463  -3.450
  598   2HG   LYS  73          1HG       LYS  73   6.053  -0.998  -3.980
  599   1HD   LYS  73          2HD       LYS  73   8.051  -1.658  -4.749
  600   2HD   LYS  73          1HD       LYS  73   7.777  -0.508  -6.060
  601   1HE   LYS  73          2HE       LYS  73   9.793   0.269  -5.368
  602   2HE   LYS  73          1HE       LYS  73   8.776   1.172  -4.247
  603   1HZ   LYS  73          1HZ       LYS  73   9.664  -1.483  -3.407
  604   2HZ   LYS  73          2HZ       LYS  73   9.436  -0.079  -2.493
  605   3HZ   LYS  73          3HZ       LYS  73  10.827  -0.256  -3.441
  606    H    LEU  74           H        LEU  74   2.886   1.580  -6.300
  607    HA   LEU  74           HA       LEU  74   3.674   3.747  -7.893
  608   1HB   LEU  74          2HB       LEU  74   1.056   2.335  -7.503
  609   2HB   LEU  74          1HB       LEU  74   1.153   3.749  -8.536
  610    HG   LEU  74           HG       LEU  74   2.968   1.390  -8.969
  611   1HD1  LEU  74          1HD1      LEU  74   0.146   1.743  -9.956
  612   2HD1  LEU  74          2HD1      LEU  74   0.799   0.407  -9.007
  613   3HD1  LEU  74          3HD1      LEU  74   1.311   0.634 -10.680
  614   1HD2  LEU  74          1HD2      LEU  74   3.634   2.483 -10.790
  615   2HD2  LEU  74          2HD2      LEU  74   2.821   3.897 -10.120
  616   3HD2  LEU  74          3HD2      LEU  74   1.978   2.855 -11.266
  617    H    MET  75           H        MET  75   1.288   3.601  -5.240
  618    HA   MET  75           HA       MET  75   0.602   6.347  -5.421
  619   1HB   MET  75          2HB       MET  75  -0.512   4.264  -4.126
  620   2HB   MET  75          1HB       MET  75   0.329   5.030  -2.786
  621   1HG   MET  75          2HG       MET  75  -1.063   7.003  -4.356
  622   2HG   MET  75          1HG       MET  75  -2.158   5.716  -3.851
  623   1HE   MET  75          1HE       MET  75   0.066   8.722  -1.250
  624   2HE   MET  75          2HE       MET  75   0.266   8.414  -2.972
  625   3HE   MET  75          3HE       MET  75   1.022   7.345  -1.792
  626    H    CYS  76           H        CYS  76   2.860   4.572  -3.322
  627    HA   CYS  76           HA       CYS  76   3.678   6.739  -1.747
  628   1HB   CYS  76          2HB       CYS  76   4.511   4.012  -2.181
  629   2HB   CYS  76          1HB       CYS  76   5.920   5.060  -2.047
  630    HG   CYS  76           HG       CYS  76   3.788   4.761   0.202
  631    H    THR  77           H        THR  77   5.131   5.426  -4.725
  632    HA   THR  77           HA       THR  77   7.186   7.377  -4.877
  633    HB   THR  77           HB       THR  77   6.024   5.726  -7.129
  634    HG1  THR  77           1HG      THR  77   8.004   5.116  -5.200
  635   1HG2  THR  77          1HG2      THR  77   8.629   7.170  -6.806
  636   2HG2  THR  77          2HG2      THR  77   7.455   7.283  -8.119
  637   3HG2  THR  77          3HG2      THR  77   8.427   5.824  -7.928
  638    H    ASN  78           H        ASN  78   3.919   7.170  -6.210
  639    HA   ASN  78           HA       ASN  78   4.137   9.458  -7.883
  640   1HB   ASN  78          2HB       ASN  78   1.827   7.861  -6.811
  641   2HB   ASN  78          1HB       ASN  78   1.567   9.335  -7.725
  642   1HD2  ASN  78          1HD2      ASN  78   0.500   7.147  -8.764
  643   2HD2  ASN  78          2HD2      ASN  78   1.400   6.586 -10.122
  644    H    ALA  79           H        ALA  79   3.199   8.933  -4.540
  645    HA   ALA  79           HA       ALA  79   2.119  11.530  -4.106
  646   1HB   ALA  79          1HB       ALA  79   2.858   9.218  -2.403
  647   2HB   ALA  79          2HB       ALA  79   1.353  10.135  -2.481
  648   3HB   ALA  79          3HB       ALA  79   2.746  10.797  -1.626
  649    H    MET  80           H        MET  80   5.316  10.076  -3.679
  650    HA   MET  80           HA       MET  80   6.433  12.406  -2.438
  651   1HB   MET  80          2HB       MET  80   8.560  11.241  -2.565
  652   2HB   MET  80          1HB       MET  80   7.308  10.162  -1.970
  653   1HG   MET  80          2HG       MET  80   7.133   9.139  -4.174
  654   2HG   MET  80          1HG       MET  80   8.380  10.226  -4.782
  655   1HE   MET  80          1HE       MET  80  11.464   9.488  -3.496
  656   2HE   MET  80          2HE       MET  80  10.437  10.037  -4.820
  657   3HE   MET  80          3HE       MET  80  11.145   8.422  -4.864
  658    H    ILE  81           H        ILE  81   6.208  11.210  -5.745
  659    HA   ILE  81           HA       ILE  81   8.188  12.963  -6.792
  660    HB   ILE  81           HB       ILE  81   7.505  10.911  -7.978
  661   1HG1  ILE  81          2HG1      ILE  81   6.974  12.372 -10.238
  662   2HG1  ILE  81          1HG1      ILE  81   7.691  13.587  -9.184
  663   1HG2  ILE  81          1HG2      ILE  81   5.459  10.786  -9.229
  664   2HG2  ILE  81          2HG2      ILE  81   4.992  12.402  -8.702
  665   3HG2  ILE  81          3HG2      ILE  81   5.086  11.087  -7.534
  666   1HD1  ILE  81          1HD1      ILE  81   9.639  12.116  -8.867
  667   2HD1  ILE  81          2HD1      ILE  81   9.388  12.575 -10.552
  668   3HD1  ILE  81          3HD1      ILE  81   8.925  10.967  -9.997
  669    H    TYR  82           H        TYR  82   4.590  13.168  -6.714
  670    HA   TYR  82           HA       TYR  82   4.602  15.753  -7.952
  671   1HB   TYR  82          2HB       TYR  82   2.656  14.178  -8.059
  672   2HB   TYR  82          1HB       TYR  82   2.360  14.499  -6.352
  673    HD1  TYR  82           1HD      TYR  82   3.326  16.880  -9.058
  674    HD2  TYR  82           2HD      TYR  82   0.323  15.633  -6.313
  675    HE1  TYR  82           1HE      TYR  82   1.975  18.842  -9.655
  676    HE2  TYR  82           2HE      TYR  82  -1.033  17.590  -6.904
  677    HH   TYR  82           HH       TYR  82  -0.402  19.535  -9.601
  678    H    ASN  83           H        ASN  83   5.168  14.673  -4.743
  679    HA   ASN  83           HA       ASN  83   4.707  17.373  -3.699
  680   1HB   ASN  83          2HB       ASN  83   3.677  15.069  -2.730
  681   2HB   ASN  83          1HB       ASN  83   5.187  15.113  -1.828
  682   1HD2  ASN  83          1HD2      ASN  83   2.063  16.487  -2.244
  683   2HD2  ASN  83          2HD2      ASN  83   2.128  17.583  -0.910
  684    H    LYS  84           H        LYS  84   6.360  16.652  -1.336
  685    HA   LYS  84           HA       LYS  84   8.977  15.959  -1.933
  686   1HB   LYS  84          2HB       LYS  84   8.268  18.630  -2.837
  687   2HB   LYS  84          1HB       LYS  84   9.551  18.690  -1.638
  688   1HG   LYS  84          2HG       LYS  84  10.542  16.754  -3.171
  689   2HG   LYS  84          1HG       LYS  84   9.566  17.584  -4.384
  690   1HD   LYS  84          2HD       LYS  84  10.826  19.496  -4.289
  691   2HD   LYS  84          1HD       LYS  84  11.308  19.224  -2.615
  692   1HE   LYS  84          2HE       LYS  84  12.340  17.105  -4.222
  693   2HE   LYS  84          1HE       LYS  84  12.749  18.639  -4.986
  694   1HZ   LYS  84          1HZ       LYS  84  14.469  18.547  -3.560
  695   2HZ   LYS  84          2HZ       LYS  84  13.684  17.509  -2.480
  696   3HZ   LYS  84          3HZ       LYS  84  13.358  19.167  -2.445
  697    HA   PRO  85           HA       PRO  85   9.445  16.453   2.438
  698   1HB   PRO  85          2HB       PRO  85  11.917  17.552   2.794
  699   2HB   PRO  85          1HB       PRO  85  11.662  15.868   2.320
  700   1HG   PRO  85          2HG       PRO  85  12.332  18.235   0.615
  701   2HG   PRO  85          1HG       PRO  85  12.993  16.591   0.555
  702   1HD   PRO  85          2HD       PRO  85  11.109  17.442  -1.173
  703   2HD   PRO  85          1HD       PRO  85  11.167  15.766  -0.598
  704    H    GLU  86           H        GLU  86   7.712  18.162   2.143
  705    HA   GLU  86           HA       GLU  86   8.598  20.900   2.580
  706   1HB   GLU  86          2HB       GLU  86   6.373  19.721   1.338
  707   2HB   GLU  86          1HB       GLU  86   5.737  20.508   2.775
  708   1HG   GLU  86          2HG       GLU  86   6.358  22.612   2.059
  709   2HG   GLU  86          1HG       GLU  86   7.585  21.989   0.958
  710    H    THR  87           H        THR  87   6.188  18.778   4.157
  711    HA   THR  87           HA       THR  87   7.117  19.788   6.752
  712    HB   THR  87           HB       THR  87   4.434  19.430   7.201
  713    HG1  THR  87           1HG      THR  87   4.037  19.264   4.937
  714   1HG2  THR  87          1HG2      THR  87   6.117  21.813   6.694
  715   2HG2  THR  87          2HG2      THR  87   5.217  21.338   8.135
  716   3HG2  THR  87          3HG2      THR  87   4.368  22.025   6.751
  717    H    ILE  88           H        ILE  88   4.366  17.654   6.082
  718    HA   ILE  88           HA       ILE  88   5.905  15.424   7.230
  719    HB   ILE  88           HB       ILE  88   2.976  15.918   7.779
  720   1HG1  ILE  88          2HG1      ILE  88   5.068  16.224   9.892
  721   2HG1  ILE  88          1HG1      ILE  88   4.839  17.552   8.760
  722   1HG2  ILE  88          1HG2      ILE  88   4.914  13.797   8.456
  723   2HG2  ILE  88          2HG2      ILE  88   3.167  13.712   8.234
  724   3HG2  ILE  88          3HG2      ILE  88   3.836  14.308   9.753
  725   1HD1  ILE  88          1HD1      ILE  88   3.496  17.269  11.076
  726   2HD1  ILE  88          2HD1      ILE  88   2.373  16.501   9.953
  727   3HD1  ILE  88          3HD1      ILE  88   2.894  18.164   9.682
  728    H    TYR  89           H        TYR  89   4.444  16.452   4.473
  729    HA   TYR  89           HA       TYR  89   2.890  14.189   3.735
  730   1HB   TYR  89          2HB       TYR  89   4.160  16.406   2.128
  731   2HB   TYR  89          1HB       TYR  89   3.208  15.124   1.387
  732    HD1  TYR  89           1HD      TYR  89   0.791  14.863   2.072
  733    HD2  TYR  89           2HD      TYR  89   3.116  18.266   3.126
  734    HE1  TYR  89           1HE      TYR  89  -1.269  16.126   2.518
  735    HE2  TYR  89           2HE      TYR  89   1.062  19.539   3.577
  736    HH   TYR  89           HH       TYR  89  -1.596  19.157   2.559
  737    H    TYR  90           H        TYR  90   6.230  15.191   2.987
  738    HA   TYR  90           HA       TYR  90   6.849  12.934   1.391
  739   1HB   TYR  90          2HB       TYR  90   8.118  15.197   1.640
  740   2HB   TYR  90          1HB       TYR  90   8.938  14.400   2.978
  741    HD1  TYR  90           1HD      TYR  90   8.111  13.866  -0.627
  742    HD2  TYR  90           2HD      TYR  90  10.870  13.186   2.542
  743    HE1  TYR  90           1HE      TYR  90   9.671  12.829  -2.216
  744    HE2  TYR  90           2HE      TYR  90  12.438  12.147   0.958
  745    HH   TYR  90           HH       TYR  90  12.132  12.411  -2.380
  746    H    LYS  91           H        LYS  91   7.474  13.658   4.817
  747    HA   LYS  91           HA       LYS  91   8.815  11.269   5.436
  748   1HB   LYS  91          2HB       LYS  91   7.118  12.939   7.302
  749   2HB   LYS  91          1HB       LYS  91   8.365  11.793   7.768
  750   1HG   LYS  91          2HG       LYS  91   8.785  14.371   6.269
  751   2HG   LYS  91          1HG       LYS  91   9.180  14.062   7.958
  752   1HD   LYS  91          2HD       LYS  91  10.368  12.500   5.670
  753   2HD   LYS  91          1HD       LYS  91  11.116  13.947   6.346
  754   1HE   LYS  91          2HE       LYS  91  12.164  12.512   7.714
  755   2HE   LYS  91          1HE       LYS  91  10.637  12.492   8.594
  756   1HZ   LYS  91          1HZ       LYS  91  10.005  10.491   7.561
  757   2HZ   LYS  91          2HZ       LYS  91  11.617  10.263   8.012
  758   3HZ   LYS  91          3HZ       LYS  91  11.232  10.590   6.398
  759    H    ALA  92           H        ALA  92   5.367  12.084   5.439
  760    HA   ALA  92           HA       ALA  92   4.404   9.781   6.725
  761   1HB   ALA  92          1HB       ALA  92   3.208  11.780   4.861
  762   2HB   ALA  92          2HB       ALA  92   2.780  11.396   6.528
  763   3HB   ALA  92          3HB       ALA  92   2.314  10.303   5.223
  764    H    ALA  93           H        ALA  93   4.923  10.452   3.265
  765    HA   ALA  93           HA       ALA  93   4.011   7.949   2.323
  766   1HB   ALA  93          1HB       ALA  93   4.671  10.256   1.106
  767   2HB   ALA  93          2HB       ALA  93   4.534   8.715   0.260
  768   3HB   ALA  93          3HB       ALA  93   6.117   9.307   0.761
  769    H    LYS  94           H        LYS  94   7.254   9.140   3.158
  770    HA   LYS  94           HA       LYS  94   8.675   6.829   2.403
  771   1HB   LYS  94          2HB       LYS  94   9.467   9.256   3.131
  772   2HB   LYS  94          1HB       LYS  94   9.629   8.479   4.700
  773   1HG   LYS  94          2HG       LYS  94  11.069   6.756   3.622
  774   2HG   LYS  94          1HG       LYS  94  11.006   7.709   2.138
  775   1HD   LYS  94          2HD       LYS  94  12.310   9.388   2.998
  776   2HD   LYS  94          1HD       LYS  94  11.821   9.064   4.663
  777   1HE   LYS  94          2HE       LYS  94  13.211   7.110   4.752
  778   2HE   LYS  94          1HE       LYS  94  13.577   7.235   3.032
  779   1HZ   LYS  94          1HZ       LYS  94  14.511   8.968   5.238
  780   2HZ   LYS  94          2HZ       LYS  94  14.560   9.492   3.631
  781   3HZ   LYS  94          3HZ       LYS  94  15.431   8.119   4.100
  782    H    LYS  95           H        LYS  95   7.331   7.823   5.552
  783    HA   LYS  95           HA       LYS  95   8.244   5.603   7.023
  784   1HB   LYS  95          2HB       LYS  95   7.362   7.716   8.012
  785   2HB   LYS  95          1HB       LYS  95   5.745   7.231   7.528
  786   1HG   LYS  95          2HG       LYS  95   5.898   6.662   9.790
  787   2HG   LYS  95          1HG       LYS  95   6.121   5.140   8.927
  788   1HD   LYS  95          2HD       LYS  95   7.800   5.077  10.532
  789   2HD   LYS  95          1HD       LYS  95   8.645   5.679   9.105
  790   1HE   LYS  95          2HE       LYS  95   7.464   7.813  10.694
  791   2HE   LYS  95          1HE       LYS  95   8.620   6.845  11.611
  792   1HZ   LYS  95          1HZ       LYS  95   9.229   8.003   8.949
  793   2HZ   LYS  95          2HZ       LYS  95  10.314   7.318  10.049
  794   3HZ   LYS  95          3HZ       LYS  95   9.575   8.796  10.402
  795    H    LEU  96           H        LEU  96   5.175   6.169   5.312
  796    HA   LEU  96           HA       LEU  96   3.939   3.745   6.039
  797   1HB   LEU  96          2HB       LEU  96   3.352   5.969   4.340
  798   2HB   LEU  96          1HB       LEU  96   3.053   4.494   3.444
  799    HG   LEU  96           HG       LEU  96   1.067   5.445   4.661
  800   1HD1  LEU  96          1HD1      LEU  96   0.592   3.117   5.795
  801   2HD1  LEU  96          2HD1      LEU  96   2.066   2.660   4.942
  802   3HD1  LEU  96          3HD1      LEU  96   0.682   3.284   4.043
  803   1HD2  LEU  96          1HD2      LEU  96   2.777   5.703   6.769
  804   2HD2  LEU  96          2HD2      LEU  96   1.893   4.237   7.196
  805   3HD2  LEU  96          3HD2      LEU  96   1.018   5.734   6.881
  806    H    LEU  97           H        LEU  97   6.112   4.583   3.381
  807    HA   LEU  97           HA       LEU  97   5.842   2.251   1.849
  808   1HB   LEU  97          2HB       LEU  97   7.198   4.510   1.488
  809   2HB   LEU  97          1HB       LEU  97   8.519   3.538   2.105
  810    HG   LEU  97           HG       LEU  97   6.835   2.684  -0.245
  811   1HD1  LEU  97          1HD1      LEU  97   8.115   3.837  -1.707
  812   2HD1  LEU  97          2HD1      LEU  97   9.553   3.749  -0.690
  813   3HD1  LEU  97          3HD1      LEU  97   8.292   4.930  -0.333
  814   1HD2  LEU  97          1HD2      LEU  97   9.232   1.652   1.155
  815   2HD2  LEU  97          2HD2      LEU  97   9.217   1.534  -0.603
  816   3HD2  LEU  97          3HD2      LEU  97   7.931   0.786   0.341
  817    H    HIS  98           H        HIS  98   8.042   3.016   4.534
  818    HA   HIS  98           HA       HIS  98   9.456   0.577   4.518
  819   1HB   HIS  98          2HB       HIS  98   9.287   2.927   6.212
  820   2HB   HIS  98          1HB       HIS  98   9.416   1.461   7.178
  821    HD1  HIS  98           1HD      HIS  98  11.144   2.319   3.899
  822    HD2  HIS  98           2HD      HIS  98  12.040   1.374   7.847
  823    HE1  HIS  98           1HE      HIS  98  13.652   2.148   3.997
  824    HE2  HIS  98           2HE      HIS  98  14.162   1.470   6.370
  825    H    SER  99           H        SER  99   6.525   1.611   6.229
  826    HA   SER  99           HA       SER  99   6.211  -0.715   7.801
  827   1HB   SER  99          2HB       SER  99   4.486   1.581   7.028
  828   2HB   SER  99          1HB       SER  99   3.662   0.121   7.577
  829    HG   SER  99           HG       SER  99   4.710   0.261   9.516
  830    H    GLY 100           H        GLY 100   4.828   0.223   4.652
  831   1HA   GLY 100          2HA       GLY 100   3.232  -2.032   4.228
  832   2HA   GLY 100          1HA       GLY 100   3.922  -1.032   2.958
  833    H    MET 101           H        MET 101   6.688  -1.577   3.708
  834    HA   MET 101           HA       MET 101   7.067  -3.958   2.197
  835   1HB   MET 101          2HB       MET 101   8.810  -1.943   3.503
  836   2HB   MET 101          1HB       MET 101   9.515  -3.534   3.253
  837   1HG   MET 101          2HG       MET 101   8.624  -3.245   0.828
  838   2HG   MET 101          1HG       MET 101   8.596  -1.534   1.246
  839   1HE   MET 101          1HE       MET 101  11.635  -0.971  -0.610
  840   2HE   MET 101          2HE       MET 101  11.145  -0.042   0.807
  841   3HE   MET 101          3HE       MET 101   9.924  -0.688  -0.291
  842    H    LYS 102           H        LYS 102   7.533  -3.148   5.636
  843    HA   LYS 102           HA       LYS 102   8.498  -5.636   6.465
  844   1HB   LYS 102          2HB       LYS 102   8.004  -3.205   7.654
  845   2HB   LYS 102          1HB       LYS 102   6.823  -4.255   8.428
  846   1HG   LYS 102          2HG       LYS 102   9.423  -5.501   8.281
  847   2HG   LYS 102          1HG       LYS 102   9.480  -3.944   9.109
  848   1HD   LYS 102          2HD       LYS 102   8.326  -4.712  10.880
  849   2HD   LYS 102          1HD       LYS 102   7.200  -5.617   9.866
  850   1HE   LYS 102          2HE       LYS 102   8.220  -7.477  10.542
  851   2HE   LYS 102          1HE       LYS 102   9.630  -6.961   9.616
  852   1HZ   LYS 102          1HZ       LYS 102  10.631  -6.064  11.502
  853   2HZ   LYS 102          2HZ       LYS 102   9.960  -7.509  12.065
  854   3HZ   LYS 102          3HZ       LYS 102   9.193  -6.039  12.393
  855    H    ILE 103           H        ILE 103   5.151  -4.381   6.457
  856    HA   ILE 103           HA       ILE 103   3.995  -6.703   7.558
  857    HB   ILE 103           HB       ILE 103   1.859  -5.823   6.497
  858   1HG1  ILE 103          2HG1      ILE 103   2.807  -3.137   6.171
  859   2HG1  ILE 103          1HG1      ILE 103   3.688  -4.203   5.084
  860   1HG2  ILE 103          1HG2      ILE 103   1.862  -5.254   8.669
  861   2HG2  ILE 103          2HG2      ILE 103   2.142  -3.633   8.037
  862   3HG2  ILE 103          3HG2      ILE 103   3.500  -4.604   8.604
  863   1HD1  ILE 103          1HD1      ILE 103   1.854  -4.675   3.837
  864   2HD1  ILE 103          2HD1      ILE 103   1.411  -3.063   4.399
  865   3HD1  ILE 103          3HD1      ILE 103   0.744  -4.487   5.195
  866    H    LEU 104           H        LEU 104   4.607  -5.705   4.213
  867    HA   LEU 104           HA       LEU 104   3.192  -7.827   2.987
  868   1HB   LEU 104          2HB       LEU 104   5.169  -5.803   2.128
  869   2HB   LEU 104          1HB       LEU 104   5.086  -7.254   1.149
  870    HG   LEU 104           HG       LEU 104   2.552  -5.813   1.805
  871   1HD1  LEU 104          1HD1      LEU 104   4.506  -4.294   0.850
  872   2HD1  LEU 104          2HD1      LEU 104   2.837  -4.126   0.312
  873   3HD1  LEU 104          3HD1      LEU 104   3.991  -5.033  -0.666
  874   1HD2  LEU 104          1HD2      LEU 104   1.738  -6.842  -0.119
  875   2HD2  LEU 104          2HD2      LEU 104   2.779  -8.071   0.597
  876   3HD2  LEU 104          3HD2      LEU 104   3.351  -7.119  -0.773
  877    H    SER 105           H        SER 105   6.423  -7.569   4.333
  878    HA   SER 105           HA       SER 105   7.479  -9.927   3.140
  879   1HB   SER 105          2HB       SER 105   8.787  -8.005   4.225
  880   2HB   SER 105          1HB       SER 105   8.398  -8.767   5.769
  881    HG   SER 105           HG       SER 105  10.300  -9.661   5.200
  882    H    GLN 106           H        GLN 106   5.495  -9.322   5.955
  883    HA   GLN 106           HA       GLN 106   5.882 -12.045   6.934
  884   1HB   GLN 106          2HB       GLN 106   4.164  -9.845   8.094
  885   2HB   GLN 106          1HB       GLN 106   4.616 -11.352   8.878
  886   1HG   GLN 106          2HG       GLN 106   6.931 -10.666   8.954
  887   2HG   GLN 106          1HG       GLN 106   6.552  -9.198   8.057
  888   1HE2  GLN 106          1HE2      GLN 106   4.558  -8.022   9.177
  889   2HE2  GLN 106          2HE2      GLN 106   4.785  -7.741  10.866
  890    H    GLU 107           H        GLU 107   4.403 -11.335   4.382
  891    HA   GLU 107           HA       GLU 107   1.640 -11.894   4.864
  892   1HB   GLU 107          2HB       GLU 107   2.999 -10.797   2.788
  893   2HB   GLU 107          1HB       GLU 107   2.737 -12.422   2.172
  894   1HG   GLU 107          2HG       GLU 107   0.422 -12.192   2.209
  895   2HG   GLU 107          1HG       GLU 107   0.482 -10.819   3.311
  896    H    ARG 108           H        ARG 108   4.474 -13.809   4.037
  897    HA   ARG 108           HA       ARG 108   2.880 -16.241   4.452
  898   1HB   ARG 108          2HB       ARG 108   3.438 -15.635   1.963
  899   2HB   ARG 108          1HB       ARG 108   5.046 -16.213   2.377
  900   1HG   ARG 108          2HG       ARG 108   3.890 -18.333   3.192
  901   2HG   ARG 108          1HG       ARG 108   2.468 -17.739   2.331
  902   1HD   ARG 108          2HD       ARG 108   4.327 -17.436   0.411
  903   2HD   ARG 108          1HD       ARG 108   5.023 -18.799   1.286
  904    HE   ARG 108           HE       ARG 108   2.727 -18.836  -0.403
  905   1HH1  ARG 108          1HH1      ARG 108   4.141 -20.336   2.431
  906   2HH1  ARG 108          2HH1      ARG 108   3.259 -21.813   2.244
  907   1HH2  ARG 108          1HH2      ARG 108   1.567 -20.790  -0.647
  908   2HH2  ARG 108          2HH2      ARG 108   1.801 -22.073   0.492
  909    H    LEU 109           H        LEU 109   3.832 -16.132   6.594
  910    HA   LEU 109           HA       LEU 109   6.708 -16.713   6.686
  911   1HB   LEU 109          2HB       LEU 109   6.578 -16.222   9.079
  912   2HB   LEU 109          1HB       LEU 109   6.013 -14.881   8.104
  913    HG   LEU 109           HG       LEU 109   3.673 -16.211   8.643
  914   1HD1  LEU 109          1HD1      LEU 109   4.994 -16.135  11.304
  915   2HD1  LEU 109          2HD1      LEU 109   5.254 -17.546  10.277
  916   3HD1  LEU 109          3HD1      LEU 109   3.618 -17.088  10.748
  917   1HD2  LEU 109          1HD2      LEU 109   5.073 -13.833   9.729
  918   2HD2  LEU 109          2HD2      LEU 109   3.634 -14.393  10.581
  919   3HD2  LEU 109          3HD2      LEU 109   3.534 -13.953   8.876
  920    H    GLU 110           H        GLU 110   7.304 -18.759   6.775
  921    HA   GLU 110           HA       GLU 110   5.874 -20.622   8.502
  922   1HB   GLU 110          2HB       GLU 110   6.016 -20.823   5.529
  923   2HB   GLU 110          1HB       GLU 110   6.163 -22.307   6.459
  924   1HG   GLU 110          2HG       GLU 110   4.013 -22.161   7.286
  925   2HG   GLU 110          1HG       GLU 110   3.907 -20.427   6.995
  926    H    HIS 111           H        HIS 111   8.492 -19.340   8.616
  927    HA   HIS 111           HA       HIS 111  10.207 -21.730   8.431
  928   1HB   HIS 111          2HB       HIS 111  10.637 -19.522   6.977
  929   2HB   HIS 111          1HB       HIS 111  11.462 -19.032   8.452
  930    HD1  HIS 111           1HD      HIS 111  12.774 -19.758   5.602
  931    HD2  HIS 111           2HD      HIS 111  12.737 -22.120   9.023
  932    HE1  HIS 111           1HE      HIS 111  14.723 -21.327   5.359
  933    HE2  HIS 111           2HE      HIS 111  14.612 -22.818   7.386
  934    H    HIS 112           H        HIS 112  10.895 -22.483  10.317
  935    HA   HIS 112           HA       HIS 112  11.647 -20.705  12.469
  936   1HB   HIS 112          2HB       HIS 112   9.088 -22.121  12.472
  937   2HB   HIS 112          1HB       HIS 112  10.073 -22.500  13.880
  938    HD1  HIS 112           1HD      HIS 112  10.509 -20.590  15.570
  939    HD2  HIS 112           2HD      HIS 112   8.130 -19.490  12.347
  940    HE1  HIS 112           1HE      HIS 112   9.503 -18.374  16.202
  941    HE2  HIS 112           2HE      HIS 112   8.152 -17.679  14.192
  942    H    HIS 113           H        HIS 113  12.463 -22.024  14.396
  943    HA   HIS 113           HA       HIS 113  13.805 -23.626  15.294
  944   1HB   HIS 113          2HB       HIS 113  12.007 -25.126  13.964
  945   2HB   HIS 113          1HB       HIS 113  13.464 -25.570  13.080
  946    HD1  HIS 113           1HD      HIS 113  12.470 -25.275  16.752
  947    HD2  HIS 113           2HD      HIS 113  14.674 -27.704  14.200
  948    HE1  HIS 113           1HE      HIS 113  13.340 -27.146  18.189
  949    HE2  HIS 113           2HE      HIS 113  14.729 -28.565  16.638
  950    H    HIS 114           H        HIS 114  15.969 -23.779  15.264
  951    HA   HIS 114           HA       HIS 114  17.361 -23.662  12.676
  952   1HB   HIS 114          2HB       HIS 114  19.018 -22.093  13.742
  953   2HB   HIS 114          1HB       HIS 114  17.421 -21.403  13.478
  954    HD1  HIS 114           1HD      HIS 114  16.919 -19.894  15.374
  955    HD2  HIS 114           2HD      HIS 114  18.853 -23.352  16.623
  956    HE1  HIS 114           1HE      HIS 114  17.050 -19.725  17.882
  957    HE2  HIS 114           2HE      HIS 114  18.161 -21.864  18.619
  958    H    HIS 115           H        HIS 115  19.872 -23.916  13.189
  959    HA   HIS 115           HA       HIS 115  20.122 -26.497  14.464
  960   1HB   HIS 115          2HB       HIS 115  22.420 -26.474  13.608
  961   2HB   HIS 115          1HB       HIS 115  21.273 -26.065  12.338
  962    HD1  HIS 115           1HD      HIS 115  21.339 -23.638  11.417
  963    HD2  HIS 115           2HD      HIS 115  24.201 -24.442  14.321
  964    HE1  HIS 115           1HE      HIS 115  22.973 -21.731  11.297
  965    HE2  HIS 115           2HE      HIS 115  24.685 -22.226  13.079
  966    H    HIS 116           H        HIS 116  20.919 -26.914  16.440
  967    HA   HIS 116           HA       HIS 116  21.720 -26.608  18.539
  968   1HB   HIS 116          2HB       HIS 116  23.787 -26.068  17.164
  969   2HB   HIS 116          1HB       HIS 116  23.393 -24.367  17.382
  970    HD1  HIS 116           1HD      HIS 116  22.787 -26.527  20.322
  971    HD2  HIS 116           2HD      HIS 116  25.856 -24.162  18.820
  972    HE1  HIS 116           1HE      HIS 116  24.392 -26.219  22.229
  973    HE2  HIS 116           2HE      HIS 116  26.163 -24.661  21.338
  Start of MODEL   15
    1   1H    MET   0          1HT       MET   0  -7.439 -25.668  -4.884
    2   2H    MET   0          2HT       MET   0  -6.409 -27.039  -4.860
    3   3H    MET   0          3HT       MET   0  -6.951 -26.399  -6.356
    4    HA   MET   0           HA       MET   0  -5.012 -25.307  -4.448
    5   1HB   MET   0          2HB       MET   0  -4.727 -26.862  -6.659
    6   2HB   MET   0          1HB       MET   0  -4.611 -25.261  -7.378
    7   1HG   MET   0          2HG       MET   0  -3.003 -25.718  -4.947
    8   2HG   MET   0          1HG       MET   0  -2.518 -26.611  -6.388
    9   1HE   MET   0          1HE       MET   0  -2.723 -22.682  -4.953
   10   2HE   MET   0          2HE       MET   0  -0.985 -22.814  -5.222
   11   3HE   MET   0          3HE       MET   0  -1.835 -24.065  -4.314
   12    H    GLU   1           H        GLU   1  -7.378 -24.441  -6.921
   13    HA   GLU   1           HA       GLU   1  -6.474 -21.728  -7.142
   14   1HB   GLU   1          2HB       GLU   1  -8.761 -23.309  -8.222
   15   2HB   GLU   1          1HB       GLU   1  -8.905 -21.557  -8.202
   16   1HG   GLU   1          2HG       GLU   1  -6.425 -21.883  -9.268
   17   2HG   GLU   1          1HG       GLU   1  -7.274 -23.296  -9.893
   18    H    GLU   2           H        GLU   2  -9.660 -22.948  -6.069
   19    HA   GLU   2           HA       GLU   2 -10.032 -20.578  -4.448
   20   1HB   GLU   2          2HB       GLU   2 -12.267 -21.585  -3.957
   21   2HB   GLU   2          1HB       GLU   2 -11.949 -21.328  -5.666
   22   1HG   GLU   2          2HG       GLU   2 -11.174 -23.982  -4.741
   23   2HG   GLU   2          1HG       GLU   2 -12.891 -23.636  -4.529
   24    H    VAL   3           H        VAL   3  -7.998 -21.435  -3.236
   25    HA   VAL   3           HA       VAL   3  -8.968 -22.515  -0.723
   26    HB   VAL   3           HB       VAL   3  -6.991 -24.106  -0.588
   27   1HG1  VAL   3          1HG1      VAL   3  -9.372 -24.773  -0.886
   28   2HG1  VAL   3          2HG1      VAL   3  -8.214 -25.914  -1.570
   29   3HG1  VAL   3          3HG1      VAL   3  -9.092 -24.811  -2.627
   30   1HG2  VAL   3          1HG2      VAL   3  -6.325 -25.013  -2.874
   31   2HG2  VAL   3          2HG2      VAL   3  -5.626 -23.470  -2.391
   32   3HG2  VAL   3          3HG2      VAL   3  -6.969 -23.510  -3.531
   33    H    GLU   4           H        GLU   4  -6.100 -21.414  -2.535
   34    HA   GLU   4           HA       GLU   4  -4.929 -20.362  -0.080
   35   1HB   GLU   4          2HB       GLU   4  -3.938 -20.950  -2.819
   36   2HB   GLU   4          1HB       GLU   4  -3.143 -19.651  -1.939
   37   1HG   GLU   4          2HG       GLU   4  -1.960 -21.725  -1.618
   38   2HG   GLU   4          1HG       GLU   4  -2.677 -21.194  -0.097
   39    H    GLN   5           H        GLN   5  -6.720 -19.271  -2.815
   40    HA   GLN   5           HA       GLN   5  -5.867 -16.598  -2.949
   41   1HB   GLN   5          2HB       GLN   5  -8.119 -16.192  -4.012
   42   2HB   GLN   5          1HB       GLN   5  -7.146 -17.446  -4.762
   43   1HG   GLN   5          2HG       GLN   5  -8.951 -18.730  -4.653
   44   2HG   GLN   5          1HG       GLN   5  -8.652 -18.836  -2.920
   45   1HE2  GLN   5          1HE2      GLN   5 -10.925 -19.149  -2.662
   46   2HE2  GLN   5          2HE2      GLN   5 -12.002 -17.800  -2.705
   47    H    THR   6           H        THR   6  -8.410 -18.144  -1.019
   48    HA   THR   6           HA       THR   6  -9.472 -15.760   0.054
   49    HB   THR   6           HB       THR   6  -9.830 -17.859   1.945
   50    HG1  THR   6           1HG      THR   6 -10.237 -19.592   0.762
   51   1HG2  THR   6          1HG2      THR   6 -11.911 -17.143   1.775
   52   2HG2  THR   6          2HG2      THR   6 -12.008 -17.713   0.109
   53   3HG2  THR   6          3HG2      THR   6 -11.414 -16.089   0.450
   54    HA   PRO   7           HA       PRO   7  -6.716 -16.822   4.029
   55   1HB   PRO   7          2HB       PRO   7  -4.523 -18.170   2.521
   56   2HB   PRO   7          1HB       PRO   7  -5.119 -18.477   4.157
   57   1HG   PRO   7          2HG       PRO   7  -5.741 -20.120   2.162
   58   2HG   PRO   7          1HG       PRO   7  -6.936 -19.706   3.406
   59   1HD   PRO   7          2HD       PRO   7  -6.713 -18.738   0.595
   60   2HD   PRO   7          1HD       PRO   7  -8.161 -19.068   1.565
   61    H    LEU   8           H        LEU   8  -5.130 -16.390   0.864
   62    HA   LEU   8           HA       LEU   8  -3.113 -14.629   1.687
   63   1HB   LEU   8          2HB       LEU   8  -4.310 -15.465  -0.849
   64   2HB   LEU   8          1HB       LEU   8  -3.710 -13.820  -0.881
   65    HG   LEU   8           HG       LEU   8  -1.805 -15.698   0.298
   66   1HD1  LEU   8          1HD1      LEU   8  -3.047 -16.309  -2.312
   67   2HD1  LEU   8          2HD1      LEU   8  -2.258 -17.372  -1.149
   68   3HD1  LEU   8          3HD1      LEU   8  -1.286 -16.382  -2.237
   69   1HD2  LEU   8          1HD2      LEU   8  -0.455 -14.569  -1.644
   70   2HD2  LEU   8          2HD2      LEU   8  -0.892 -13.652  -0.203
   71   3HD2  LEU   8          3HD2      LEU   8  -1.833 -13.470  -1.683
   72    H    GLN   9           H        GLN   9  -6.432 -14.003   0.600
   73    HA   GLN   9           HA       GLN   9  -6.273 -11.192   0.549
   74   1HB   GLN   9          2HB       GLN   9  -8.103 -12.627  -0.441
   75   2HB   GLN   9          1HB       GLN   9  -8.739 -12.816   1.187
   76   1HG   GLN   9          2HG       GLN   9  -8.870 -10.299   1.295
   77   2HG   GLN   9          1HG       GLN   9  -8.530 -10.297  -0.433
   78   1HE2  GLN   9          1HE2      GLN   9 -10.122 -10.826  -1.855
   79   2HE2  GLN   9          2HE2      GLN   9 -11.751 -11.165  -1.393
   80    H    GLU  10           H        GLU  10  -7.165 -13.455   3.137
   81    HA   GLU  10           HA       GLU  10  -7.979 -11.561   5.041
   82   1HB   GLU  10          2HB       GLU  10  -8.384 -13.992   5.243
   83   2HB   GLU  10          1HB       GLU  10  -6.668 -14.246   5.524
   84   1HG   GLU  10          2HG       GLU  10  -7.162 -14.111   7.687
   85   2HG   GLU  10          1HG       GLU  10  -7.314 -12.375   7.423
   86    H    ALA  11           H        ALA  11  -4.786 -13.025   4.462
   87    HA   ALA  11           HA       ALA  11  -3.428 -11.727   6.559
   88   1HB   ALA  11          1HB       ALA  11  -1.370 -12.215   5.161
   89   2HB   ALA  11          2HB       ALA  11  -2.465 -12.912   3.967
   90   3HB   ALA  11          3HB       ALA  11  -2.373 -13.602   5.586
   91    H    LEU  12           H        LEU  12  -3.771 -10.865   3.118
   92    HA   LEU  12           HA       LEU  12  -2.211  -8.527   3.211
   93   1HB   LEU  12          2HB       LEU  12  -4.500  -9.266   1.388
   94   2HB   LEU  12          1HB       LEU  12  -3.449  -7.885   1.140
   95    HG   LEU  12           HG       LEU  12  -2.485 -10.744   1.213
   96   1HD1  LEU  12          1HD1      LEU  12  -3.369  -8.997  -1.053
   97   2HD1  LEU  12          2HD1      LEU  12  -3.779 -10.679  -0.714
   98   3HD1  LEU  12          3HD1      LEU  12  -2.165 -10.265  -1.293
   99   1HD2  LEU  12          1HD2      LEU  12  -0.607  -9.393  -0.127
  100   2HD2  LEU  12          2HD2      LEU  12  -0.572  -9.602   1.623
  101   3HD2  LEU  12          3HD2      LEU  12  -1.185  -8.103   0.927
  102    H    ASN  13           H        ASN  13  -5.692  -9.034   3.704
  103    HA   ASN  13           HA       ASN  13  -6.409  -6.319   3.947
  104   1HB   ASN  13          2HB       ASN  13  -7.669  -8.887   4.869
  105   2HB   ASN  13          1HB       ASN  13  -8.359  -7.338   5.339
  106   1HD2  ASN  13          1HD2      ASN  13  -9.551  -9.387   3.704
  107   2HD2  ASN  13          2HD2      ASN  13  -9.874  -8.670   2.165
  108    H    GLN  14           H        GLN  14  -5.220  -8.669   6.302
  109    HA   GLN  14           HA       GLN  14  -5.711  -7.129   8.619
  110   1HB   GLN  14          2HB       GLN  14  -5.067  -9.627   8.403
  111   2HB   GLN  14          1HB       GLN  14  -3.408  -9.047   8.363
  112   1HG   GLN  14          2HG       GLN  14  -3.367  -8.673  10.559
  113   2HG   GLN  14          1HG       GLN  14  -4.958  -7.914  10.552
  114   1HE2  GLN  14          1HE2      GLN  14  -6.642  -9.825   9.780
  115   2HE2  GLN  14          2HE2      GLN  14  -6.602 -11.174  10.858
  116    H    LEU  15           H        LEU  15  -2.836  -7.440   6.543
  117    HA   LEU  15           HA       LEU  15  -1.226  -5.652   8.044
  118   1HB   LEU  15          2HB       LEU  15  -1.095  -6.819   5.296
  119   2HB   LEU  15          1HB       LEU  15  -0.045  -5.471   5.689
  120    HG   LEU  15           HG       LEU  15   1.053  -6.720   7.413
  121   1HD1  LEU  15          1HD1      LEU  15  -0.456  -8.009   8.544
  122   2HD1  LEU  15          2HD1      LEU  15   0.318  -9.246   7.553
  123   3HD1  LEU  15          3HD1      LEU  15  -1.240  -8.580   7.073
  124   1HD2  LEU  15          1HD2      LEU  15   2.019  -7.158   5.322
  125   2HD2  LEU  15          2HD2      LEU  15   0.686  -8.201   4.826
  126   3HD2  LEU  15          3HD2      LEU  15   1.816  -8.744   6.067
  127    H    MET  16           H        MET  16  -3.604  -5.205   5.508
  128    HA   MET  16           HA       MET  16  -2.959  -2.576   4.741
  129   1HB   MET  16          2HB       MET  16  -5.410  -4.278   4.591
  130   2HB   MET  16          1HB       MET  16  -5.571  -2.554   4.283
  131   1HG   MET  16          2HG       MET  16  -3.716  -4.419   2.822
  132   2HG   MET  16          1HG       MET  16  -5.276  -3.851   2.232
  133   1HE   MET  16          1HE       MET  16  -1.873  -3.741   2.305
  134   2HE   MET  16          2HE       MET  16  -1.301  -2.111   2.653
  135   3HE   MET  16          3HE       MET  16  -1.598  -2.603   0.986
  136    H    ARG  17           H        ARG  17  -5.203  -3.790   7.238
  137    HA   ARG  17           HA       ARG  17  -6.068  -1.226   8.071
  138   1HB   ARG  17          2HB       ARG  17  -7.024  -2.333  10.003
  139   2HB   ARG  17          1HB       ARG  17  -7.335  -3.284   8.560
  140   1HG   ARG  17          2HG       ARG  17  -6.169  -5.041   9.314
  141   2HG   ARG  17          1HG       ARG  17  -4.905  -4.036  10.018
  142   1HD   ARG  17          2HD       ARG  17  -5.833  -4.107  12.045
  143   2HD   ARG  17          1HD       ARG  17  -7.442  -3.770  11.409
  144    HE   ARG  17           HE       ARG  17  -7.071  -6.349  10.729
  145   1HH1  ARG  17          1HH1      ARG  17  -6.717  -4.644  13.770
  146   2HH1  ARG  17          2HH1      ARG  17  -7.105  -6.030  14.730
  147   1HH2  ARG  17          1HH2      ARG  17  -7.584  -8.168  12.002
  148   2HH2  ARG  17          2HH2      ARG  17  -7.596  -8.031  13.728
  149    H    GLN  18           H        GLN  18  -3.392  -3.296   9.064
  150    HA   GLN  18           HA       GLN  18  -2.633  -1.877  11.372
  151   1HB   GLN  18          2HB       GLN  18  -1.816  -4.168  10.562
  152   2HB   GLN  18          1HB       GLN  18  -0.701  -3.280   9.532
  153   1HG   GLN  18          2HG       GLN  18   0.271  -2.215  11.511
  154   2HG   GLN  18          1HG       GLN  18  -0.840  -3.124  12.537
  155   1HE2  GLN  18          1HE2      GLN  18  -0.667  -5.459  12.503
  156   2HE2  GLN  18          2HE2      GLN  18   0.869  -6.191  12.212
  157    H    LEU  19           H        LEU  19  -1.729  -1.502   7.964
  158    HA   LEU  19           HA       LEU  19   0.184   0.549   8.365
  159   1HB   LEU  19          2HB       LEU  19  -1.411  -0.370   5.992
  160   2HB   LEU  19          1HB       LEU  19  -0.377   1.043   5.890
  161    HG   LEU  19           HG       LEU  19   0.923  -1.366   6.983
  162   1HD1  LEU  19          1HD1      LEU  19   0.858  -2.724   5.178
  163   2HD1  LEU  19          2HD1      LEU  19   0.677  -1.390   4.037
  164   3HD1  LEU  19          3HD1      LEU  19  -0.716  -1.959   4.959
  165   1HD2  LEU  19          1HD2      LEU  19   1.574   0.937   5.215
  166   2HD2  LEU  19          2HD2      LEU  19   2.544  -0.530   5.077
  167   3HD2  LEU  19          3HD2      LEU  19   2.432   0.312   6.623
  168    H    GLN  20           H        GLN  20  -3.307   0.584   7.783
  169    HA   GLN  20           HA       GLN  20  -3.576   3.359   7.373
  170   1HB   GLN  20          2HB       GLN  20  -5.281   1.176   7.342
  171   2HB   GLN  20          1HB       GLN  20  -5.863   2.124   8.703
  172   1HG   GLN  20          2HG       GLN  20  -5.357   3.384   6.036
  173   2HG   GLN  20          1HG       GLN  20  -6.872   2.558   6.392
  174   1HE2  GLN  20          1HE2      GLN  20  -4.761   5.191   7.392
  175   2HE2  GLN  20          2HE2      GLN  20  -5.996   6.142   8.136
  176    H    ARG  21           H        ARG  21  -3.669   1.383  10.308
  177    HA   ARG  21           HA       ARG  21  -4.408   3.510  12.051
  178   1HB   ARG  21          2HB       ARG  21  -4.474   0.876  12.342
  179   2HB   ARG  21          1HB       ARG  21  -2.900   1.152  13.074
  180   1HG   ARG  21          2HG       ARG  21  -5.056   2.919  14.018
  181   2HG   ARG  21          1HG       ARG  21  -5.236   1.210  14.416
  182   1HD   ARG  21          2HD       ARG  21  -3.051   1.189  15.463
  183   2HD   ARG  21          1HD       ARG  21  -2.775   2.861  14.982
  184    HE   ARG  21           HE       ARG  21  -4.060   3.552  16.746
  185   1HH1  ARG  21          1HH1      ARG  21  -4.595   0.125  16.253
  186   2HH1  ARG  21          2HH1      ARG  21  -5.503  -0.069  17.714
  187   1HH2  ARG  21          1HH2      ARG  21  -5.260   3.291  18.669
  188   2HH2  ARG  21          2HH2      ARG  21  -5.881   1.729  19.086
  189    H    LYS  22           H        LYS  22  -1.413   2.691  10.585
  190    HA   LYS  22           HA       LYS  22   0.508   3.328  12.432
  191   1HB   LYS  22          2HB       LYS  22   0.345   3.767   9.474
  192   2HB   LYS  22          1HB       LYS  22   1.720   4.397  10.367
  193   1HG   LYS  22          2HG       LYS  22   1.107   1.614  10.985
  194   2HG   LYS  22          1HG       LYS  22   1.528   1.895   9.295
  195   1HD   LYS  22          2HD       LYS  22   3.679   2.274   9.783
  196   2HD   LYS  22          1HD       LYS  22   3.273   3.310  11.153
  197   1HE   LYS  22          2HE       LYS  22   3.143   0.300  11.223
  198   2HE   LYS  22          1HE       LYS  22   4.550   1.232  11.733
  199   1HZ   LYS  22          1HZ       LYS  22   3.422   0.906  13.698
  200   2HZ   LYS  22          2HZ       LYS  22   1.893   1.056  12.991
  201   3HZ   LYS  22          3HZ       LYS  22   2.848   2.430  13.240
  202    H    ASP  23           H        ASP  23  -0.441   5.768  10.015
  203    HA   ASP  23           HA       ASP  23  -1.359   7.790  11.575
  204   1HB   ASP  23          2HB       ASP  23   1.431   7.384  12.115
  205   2HB   ASP  23          1HB       ASP  23   1.195   8.966  11.383
  206    HA   PRO  24           HA       PRO  24   0.621   9.876   7.673
  207   1HB   PRO  24          2HB       PRO  24   2.221   8.256   6.162
  208   2HB   PRO  24          1HB       PRO  24   2.824   9.318   7.438
  209   1HG   PRO  24          2HG       PRO  24   2.223   6.389   7.548
  210   2HG   PRO  24          1HG       PRO  24   3.618   7.266   8.201
  211   1HD   PRO  24          2HD       PRO  24   1.584   6.486   9.750
  212   2HD   PRO  24          1HD       PRO  24   2.426   8.019  10.040
  213    H    SER  25           H        SER  25  -0.360   6.510   7.655
  214    HA   SER  25           HA       SER  25  -1.187   6.293   4.982
  215   1HB   SER  25          2HB       SER  25  -0.949   4.385   6.600
  216   2HB   SER  25          1HB       SER  25  -2.456   4.906   7.353
  217    HG   SER  25           HG       SER  25  -3.479   4.575   5.316
  218    H    ALA  26           H        ALA  26  -2.747   7.715   7.788
  219    HA   ALA  26           HA       ALA  26  -5.388   7.838   6.929
  220   1HB   ALA  26          1HB       ALA  26  -3.721   9.418   8.797
  221   2HB   ALA  26          2HB       ALA  26  -5.242   8.571   9.071
  222   3HB   ALA  26          3HB       ALA  26  -5.240  10.140   8.269
  223    H    PHE  27           H        PHE  27  -2.630   9.780   5.957
  224    HA   PHE  27           HA       PHE  27  -4.064  11.866   4.683
  225   1HB   PHE  27          2HB       PHE  27  -1.252  10.841   4.266
  226   2HB   PHE  27          1HB       PHE  27  -1.894  12.289   3.499
  227    HD1  PHE  27           1HD      PHE  27  -0.989  10.766   6.733
  228    HD2  PHE  27           2HD      PHE  27  -2.073  14.328   4.677
  229    HE1  PHE  27           1HE      PHE  27  -0.344  12.092   8.704
  230    HE2  PHE  27           2HE      PHE  27  -1.431  15.664   6.642
  231    HZ   PHE  27           HZ       PHE  27  -0.565  14.547   8.659
  232    H    PHE  28           H        PHE  28  -2.876   8.728   3.583
  233    HA   PHE  28           HA       PHE  28  -4.210   9.191   0.991
  234   1HB   PHE  28          2HB       PHE  28  -2.113   7.077   1.317
  235   2HB   PHE  28          1HB       PHE  28  -2.573   7.981  -0.121
  236    HD1  PHE  28           1HD      PHE  28  -0.666   8.116   3.028
  237    HD2  PHE  28           2HD      PHE  28  -1.528  10.042  -0.667
  238    HE1  PHE  28           1HE      PHE  28   1.236   9.636   3.383
  239    HE2  PHE  28           2HE      PHE  28   0.371  11.564  -0.320
  240    HZ   PHE  28           HZ       PHE  28   1.756  11.363   1.706
  241    H    SER  29           H        SER  29  -5.390   8.191   3.498
  242    HA   SER  29           HA       SER  29  -5.798   5.360   3.132
  243   1HB   SER  29          2HB       SER  29  -7.015   5.424   5.156
  244   2HB   SER  29          1HB       SER  29  -5.737   6.621   5.367
  245    HG   SER  29           HG       SER  29  -7.714   7.487   6.022
  246    H    PHE  30           H        PHE  30  -7.054   8.031   1.602
  247    HA   PHE  30           HA       PHE  30  -9.467   6.550   0.829
  248   1HB   PHE  30          2HB       PHE  30  -9.304   9.175   2.103
  249   2HB   PHE  30          1HB       PHE  30 -10.188   9.220   0.583
  250    HD1  PHE  30           1HD      PHE  30  -9.987   6.905   3.520
  251    HD2  PHE  30           2HD      PHE  30 -12.457   9.078   0.818
  252    HE1  PHE  30           1HE      PHE  30 -11.989   6.044   4.662
  253    HE2  PHE  30           2HE      PHE  30 -14.461   8.220   1.957
  254    HZ   PHE  30           HZ       PHE  30 -14.229   6.702   3.881
  255    HA   PRO  31           HA       PRO  31  -8.318   7.412  -3.336
  256   1HB   PRO  31          2HB       PRO  31 -10.660   8.080  -4.551
  257   2HB   PRO  31          1HB       PRO  31 -10.266   6.429  -4.053
  258   1HG   PRO  31          2HG       PRO  31 -11.961   8.472  -2.670
  259   2HG   PRO  31          1HG       PRO  31 -12.257   6.739  -2.898
  260   1HD   PRO  31          2HD       PRO  31 -11.323   7.750  -0.574
  261   2HD   PRO  31          1HD       PRO  31 -10.863   6.141  -1.162
  262    H    VAL  32           H        VAL  32  -7.021   9.156  -3.545
  263    HA   VAL  32           HA       VAL  32  -7.601  11.781  -2.888
  264    HB   VAL  32           HB       VAL  32  -5.816  12.365  -4.667
  265   1HG1  VAL  32          1HG1      VAL  32  -5.344  10.699  -2.212
  266   2HG1  VAL  32          2HG1      VAL  32  -5.252  12.451  -2.387
  267   3HG1  VAL  32          3HG1      VAL  32  -4.028  11.425  -3.134
  268   1HG2  VAL  32          1HG2      VAL  32  -4.762   9.672  -4.514
  269   2HG2  VAL  32          2HG2      VAL  32  -4.923  10.748  -5.902
  270   3HG2  VAL  32          3HG2      VAL  32  -6.285   9.751  -5.397
  271    H    THR  33           H        THR  33  -8.149  13.622  -4.080
  272    HA   THR  33           HA       THR  33  -9.264  13.231  -6.750
  273    HB   THR  33           HB       THR  33 -10.968  14.878  -4.991
  274    HG1  THR  33           1HG      THR  33 -10.899  12.059  -4.663
  275   1HG2  THR  33          1HG2      THR  33 -11.342  13.950  -7.434
  276   2HG2  THR  33          2HG2      THR  33 -12.675  14.196  -6.306
  277   3HG2  THR  33          3HG2      THR  33 -12.005  12.582  -6.541
  278    H    ASP  34           H        ASP  34 -10.458  15.766  -6.996
  279    HA   ASP  34           HA       ASP  34  -8.143  17.382  -7.417
  280   1HB   ASP  34          2HB       ASP  34 -10.635  17.234  -8.559
  281   2HB   ASP  34          1HB       ASP  34 -10.749  18.717  -7.621
  282    H    PHE  35           H        PHE  35  -9.936  16.840  -4.651
  283    HA   PHE  35           HA       PHE  35  -9.267  19.497  -3.573
  284   1HB   PHE  35          2HB       PHE  35 -11.648  19.305  -3.583
  285   2HB   PHE  35          1HB       PHE  35 -11.585  17.663  -2.957
  286    HD1  PHE  35           1HD      PHE  35 -10.871  17.290  -0.590
  287    HD2  PHE  35           2HD      PHE  35 -11.694  21.163  -2.147
  288    HE1  PHE  35           1HE      PHE  35 -11.120  18.154   1.702
  289    HE2  PHE  35           2HE      PHE  35 -11.942  22.035   0.140
  290    HZ   PHE  35           HZ       PHE  35 -11.655  20.531   2.068
  291    H    ILE  36           H        ILE  36  -9.588  16.041  -2.852
  292    HA   ILE  36           HA       ILE  36  -8.364  16.111  -0.311
  293    HB   ILE  36           HB       ILE  36  -8.909  13.941  -2.312
  294   1HG1  ILE  36          2HG1      ILE  36  -9.859  13.444   0.342
  295   2HG1  ILE  36          1HG1      ILE  36 -10.268  15.099  -0.100
  296   1HG2  ILE  36          1HG2      ILE  36  -6.873  13.159  -1.469
  297   2HG2  ILE  36          2HG2      ILE  36  -8.105  12.334  -0.514
  298   3HG2  ILE  36          3HG2      ILE  36  -7.237  13.712   0.165
  299   1HD1  ILE  36          1HD1      ILE  36 -10.850  12.842  -1.969
  300   2HD1  ILE  36          2HD1      ILE  36 -11.611  14.430  -1.858
  301   3HD1  ILE  36          3HD1      ILE  36 -11.931  13.210  -0.626
  302    H    ALA  37           H        ALA  37  -7.106  15.670  -3.582
  303    HA   ALA  37           HA       ALA  37  -4.359  15.630  -2.512
  304   1HB   ALA  37          1HB       ALA  37  -5.630  14.400  -4.903
  305   2HB   ALA  37          2HB       ALA  37  -4.432  13.737  -3.792
  306   3HB   ALA  37          3HB       ALA  37  -3.945  14.902  -5.021
  307    HA   PRO  38           HA       PRO  38  -3.663  19.560  -4.372
  308   1HB   PRO  38          2HB       PRO  38  -0.882  19.077  -4.864
  309   2HB   PRO  38          1HB       PRO  38  -1.606  19.987  -3.538
  310   1HG   PRO  38          2HG       PRO  38  -0.301  17.563  -3.277
  311   2HG   PRO  38          1HG       PRO  38  -1.444  18.235  -2.106
  312   1HD   PRO  38          2HD       PRO  38  -1.852  16.109  -4.150
  313   2HD   PRO  38          1HD       PRO  38  -2.578  16.289  -2.541
  314    H    GLY  39           H        GLY  39  -3.565  16.861  -6.114
  315   1HA   GLY  39          2HA       GLY  39  -4.289  17.509  -8.518
  316   2HA   GLY  39          1HA       GLY  39  -2.637  18.109  -8.598
  317    H    TYR  40           H        TYR  40  -3.754  15.175  -6.958
  318    HA   TYR  40           HA       TYR  40  -1.701  13.580  -8.028
  319   1HB   TYR  40          2HB       TYR  40  -4.232  13.016  -6.546
  320   2HB   TYR  40          1HB       TYR  40  -3.420  11.675  -7.346
  321    HD1  TYR  40           1HD      TYR  40  -2.066  14.633  -5.520
  322    HD2  TYR  40           2HD      TYR  40  -2.390  10.386  -5.689
  323    HE1  TYR  40           1HE      TYR  40  -0.548  14.444  -3.599
  324    HE2  TYR  40           2HE      TYR  40  -0.874  10.194  -3.770
  325    HH   TYR  40           HH       TYR  40   1.074  12.594  -2.707
  326    H    SER  41           H        SER  41  -5.119  13.887  -8.968
  327    HA   SER  41           HA       SER  41  -5.067  11.960 -11.009
  328   1HB   SER  41          2HB       SER  41  -6.865  14.211 -10.277
  329   2HB   SER  41          1HB       SER  41  -7.013  13.561 -11.908
  330    HG   SER  41           HG       SER  41  -7.585  11.617 -11.099
  331    H    MET  42           H        MET  42  -3.928  15.274 -11.017
  332    HA   MET  42           HA       MET  42  -3.819  15.350 -13.911
  333   1HB   MET  42          2HB       MET  42  -2.820  17.603 -13.612
  334   2HB   MET  42          1HB       MET  42  -4.394  17.415 -12.855
  335   1HG   MET  42          2HG       MET  42  -3.417  17.283 -10.688
  336   2HG   MET  42          1HG       MET  42  -1.792  17.194 -11.364
  337   1HE   MET  42          1HE       MET  42  -0.341  19.362 -11.978
  338   2HE   MET  42          2HE       MET  42  -1.155  20.756 -12.690
  339   3HE   MET  42          3HE       MET  42  -1.361  19.155 -13.402
  340    H    ILE  43           H        ILE  43  -1.498  14.995 -11.236
  341    HA   ILE  43           HA       ILE  43   0.652  14.756 -13.223
  342    HB   ILE  43           HB       ILE  43   0.948  16.293 -11.277
  343   1HG1  ILE  43          2HG1      ILE  43   2.815  15.228 -12.623
  344   2HG1  ILE  43          1HG1      ILE  43   3.256  15.818 -11.025
  345   1HG2  ILE  43          1HG2      ILE  43  -0.151  14.706  -9.641
  346   2HG2  ILE  43          2HG2      ILE  43   1.318  15.512  -9.097
  347   3HG2  ILE  43          3HG2      ILE  43   1.377  13.829  -9.617
  348   1HD1  ILE  43          1HD1      ILE  43   3.420  13.154 -12.130
  349   2HD1  ILE  43          2HD1      ILE  43   2.560  13.177 -10.591
  350   3HD1  ILE  43          3HD1      ILE  43   4.192  13.835 -10.699
  351    H    ILE  44           H        ILE  44  -0.704  12.970 -10.447
  352    HA   ILE  44           HA       ILE  44   0.778  10.594 -11.319
  353    HB   ILE  44           HB       ILE  44  -0.480  11.364  -8.695
  354   1HG1  ILE  44          2HG1      ILE  44   1.799  12.080  -9.060
  355   2HG1  ILE  44          1HG1      ILE  44   1.783  10.799  -7.858
  356   1HG2  ILE  44          1HG2      ILE  44   0.442   8.597  -9.465
  357   2HG2  ILE  44          2HG2      ILE  44  -1.218   9.080  -9.132
  358   3HG2  ILE  44          3HG2      ILE  44  -0.020   9.116  -7.844
  359   1HD1  ILE  44          1HD1      ILE  44   2.189   9.356 -10.095
  360   2HD1  ILE  44          2HD1      ILE  44   3.482  10.007  -9.090
  361   3HD1  ILE  44          3HD1      ILE  44   2.973  10.872 -10.541
  362    H    LYS  45           H        LYS  45  -0.464   9.967 -13.041
  363    HA   LYS  45           HA       LYS  45  -3.196   9.890 -13.301
  364   1HB   LYS  45          2HB       LYS  45  -1.061   8.124 -14.462
  365   2HB   LYS  45          1HB       LYS  45  -2.753   7.971 -14.923
  366   1HG   LYS  45          2HG       LYS  45  -2.282  10.667 -15.193
  367   2HG   LYS  45          1HG       LYS  45  -0.765   9.937 -15.725
  368   1HD   LYS  45          2HD       LYS  45  -2.389   8.349 -17.066
  369   2HD   LYS  45          1HD       LYS  45  -3.505   9.703 -16.886
  370   1HE   LYS  45          2HE       LYS  45  -0.807   9.689 -18.228
  371   2HE   LYS  45          1HE       LYS  45  -2.379   9.989 -18.964
  372   1HZ   LYS  45          1HZ       LYS  45  -2.543  12.021 -17.611
  373   2HZ   LYS  45          2HZ       LYS  45  -1.222  12.055 -18.667
  374   3HZ   LYS  45          3HZ       LYS  45  -0.980  11.750 -17.022
  375    H    HIS  46           H        HIS  46  -1.157   7.211 -12.083
  376    HA   HIS  46           HA       HIS  46  -3.638   5.936 -11.129
  377   1HB   HIS  46          2HB       HIS  46  -2.229   3.800 -11.189
  378   2HB   HIS  46          1HB       HIS  46  -2.711   4.489 -12.735
  379    HD1  HIS  46           1HD      HIS  46  -0.875   5.045 -14.350
  380    HD2  HIS  46           2HD      HIS  46   0.529   4.325 -10.505
  381    HE1  HIS  46           1HE      HIS  46   1.632   5.015 -14.550
  382    HE2  HIS  46           2HE      HIS  46   2.460   4.735 -12.188
  383    HA   PRO  47           HA       PRO  47  -1.274   6.579  -7.257
  384   1HB   PRO  47          2HB       PRO  47  -3.003   8.138  -5.978
  385   2HB   PRO  47          1HB       PRO  47  -1.874   8.790  -7.162
  386   1HG   PRO  47          2HG       PRO  47  -4.792   8.428  -7.362
  387   2HG   PRO  47          1HG       PRO  47  -3.736   9.515  -8.279
  388   1HD   PRO  47          2HD       PRO  47  -4.767   6.935  -9.062
  389   2HD   PRO  47          1HD       PRO  47  -3.756   8.045 -10.006
  390    H    MET  48           H        MET  48  -1.837   4.347  -7.144
  391    HA   MET  48           HA       MET  48  -4.313   3.340  -6.229
  392   1HB   MET  48          2HB       MET  48  -1.542   2.160  -6.035
  393   2HB   MET  48          1HB       MET  48  -3.012   1.283  -5.626
  394   1HG   MET  48          2HG       MET  48  -2.223   2.376  -8.313
  395   2HG   MET  48          1HG       MET  48  -2.351   0.683  -7.840
  396   1HE   MET  48          1HE       MET  48  -5.126  -0.330  -9.372
  397   2HE   MET  48          2HE       MET  48  -5.536  -0.402  -7.656
  398   3HE   MET  48          3HE       MET  48  -3.867  -0.638  -8.176
  399    H    ASP  49           H        ASP  49  -4.849   4.857  -4.558
  400    HA   ASP  49           HA       ASP  49  -3.377   5.020  -2.130
  401   1HB   ASP  49          2HB       ASP  49  -6.173   5.811  -2.925
  402   2HB   ASP  49          1HB       ASP  49  -5.599   5.989  -1.271
  403    H    PHE  50           H        PHE  50  -4.267   4.347  -0.007
  404    HA   PHE  50           HA       PHE  50  -4.547   1.599   0.185
  405   1HB   PHE  50          2HB       PHE  50  -5.249   3.801   2.118
  406   2HB   PHE  50          1HB       PHE  50  -5.407   2.097   2.537
  407    HD1  PHE  50           2HD      PHE  50  -3.040   4.776   1.701
  408    HD2  PHE  50           1HD      PHE  50  -3.490   0.736   2.958
  409    HE1  PHE  50           2HE      PHE  50  -0.659   4.704   2.300
  410    HE2  PHE  50           1HE      PHE  50  -1.107   0.656   3.560
  411    HZ   PHE  50           HZ       PHE  50   0.311   2.641   3.230
  412    H    SER  51           H        SER  51  -7.071   4.052  -0.121
  413    HA   SER  51           HA       SER  51  -9.230   2.317   0.549
  414   1HB   SER  51          2HB       SER  51  -8.919   5.068  -0.328
  415   2HB   SER  51          1HB       SER  51 -10.282   4.285  -1.130
  416    HG   SER  51           HG       SER  51 -11.240   4.811   0.687
  417    H    THR  52           H        THR  52  -7.717   3.274  -2.521
  418    HA   THR  52           HA       THR  52  -9.561   1.873  -4.170
  419    HB   THR  52           HB       THR  52  -6.700   2.567  -4.859
  420    HG1  THR  52           1HG      THR  52  -7.394   4.580  -5.371
  421   1HG2  THR  52          1HG2      THR  52  -7.513   2.808  -7.121
  422   2HG2  THR  52          2HG2      THR  52  -9.145   2.386  -6.601
  423   3HG2  THR  52          3HG2      THR  52  -7.855   1.187  -6.517
  424    H    MET  53           H        MET  53  -6.424   1.057  -2.753
  425    HA   MET  53           HA       MET  53  -6.172  -1.471  -4.016
  426   1HB   MET  53          2HB       MET  53  -4.846  -0.122  -1.697
  427   2HB   MET  53          1HB       MET  53  -4.601  -1.847  -1.936
  428   1HG   MET  53          2HG       MET  53  -3.571  -1.520  -4.021
  429   2HG   MET  53          1HG       MET  53  -4.111   0.156  -4.115
  430   1HE   MET  53          1HE       MET  53  -1.871  -2.387  -2.198
  431   2HE   MET  53          2HE       MET  53  -2.623  -1.534  -0.849
  432   3HE   MET  53          3HE       MET  53  -0.898  -1.342  -1.163
  433    H    LYS  54           H        LYS  54  -7.443  -0.462  -0.848
  434    HA   LYS  54           HA       LYS  54  -7.874  -3.004   0.231
  435   1HB   LYS  54          2HB       LYS  54  -9.017  -0.296   0.718
  436   2HB   LYS  54          1HB       LYS  54  -9.857  -1.676   1.411
  437   1HG   LYS  54          2HG       LYS  54  -8.181  -2.144   2.881
  438   2HG   LYS  54          1HG       LYS  54  -6.924  -1.494   1.825
  439   1HD   LYS  54          2HD       LYS  54  -6.977   0.127   3.446
  440   2HD   LYS  54          1HD       LYS  54  -8.153   0.783   2.309
  441   1HE   LYS  54          2HE       LYS  54  -9.279   0.978   4.313
  442   2HE   LYS  54          1HE       LYS  54  -9.873  -0.570   3.713
  443   1HZ   LYS  54          1HZ       LYS  54  -8.803  -1.709   5.325
  444   2HZ   LYS  54          2HZ       LYS  54  -8.938  -0.245   6.160
  445   3HZ   LYS  54          3HZ       LYS  54  -7.488  -0.647   5.389
  446    H    GLU  55           H        GLU  55 -10.023  -0.986  -1.757
  447    HA   GLU  55           HA       GLU  55 -12.246  -2.727  -1.700
  448   1HB   GLU  55          2HB       GLU  55 -11.847  -0.228  -2.647
  449   2HB   GLU  55          1HB       GLU  55 -11.794  -1.129  -4.156
  450   1HG   GLU  55          2HG       GLU  55 -13.991  -2.089  -3.647
  451   2HG   GLU  55          1HG       GLU  55 -14.044  -1.156  -2.154
  452    H    LYS  56           H        LYS  56  -9.420  -2.513  -3.790
  453    HA   LYS  56           HA       LYS  56 -10.273  -4.417  -5.712
  454   1HB   LYS  56          2HB       LYS  56  -7.875  -2.867  -5.138
  455   2HB   LYS  56          1HB       LYS  56  -7.495  -4.484  -5.712
  456   1HG   LYS  56          2HG       LYS  56  -8.017  -3.952  -7.797
  457   2HG   LYS  56          1HG       LYS  56  -9.577  -3.287  -7.309
  458   1HD   LYS  56          2HD       LYS  56  -8.708  -1.149  -6.996
  459   2HD   LYS  56          1HD       LYS  56  -7.050  -1.740  -6.863
  460   1HE   LYS  56          2HE       LYS  56  -7.265  -0.662  -8.981
  461   2HE   LYS  56          1HE       LYS  56  -7.174  -2.400  -9.270
  462   1HZ   LYS  56          1HZ       LYS  56  -9.615  -0.708  -9.318
  463   2HZ   LYS  56          2HZ       LYS  56  -9.634  -2.397  -9.419
  464   3HZ   LYS  56          3HZ       LYS  56  -8.886  -1.486 -10.632
  465    H    ILE  57           H        ILE  57  -8.279  -4.686  -2.765
  466    HA   ILE  57           HA       ILE  57  -7.534  -7.368  -3.075
  467    HB   ILE  57           HB       ILE  57  -8.079  -5.993  -0.438
  468   1HG1  ILE  57          2HG1      ILE  57  -5.310  -6.234  -1.467
  469   2HG1  ILE  57          1HG1      ILE  57  -6.331  -5.059  -2.286
  470   1HG2  ILE  57          1HG2      ILE  57  -7.762  -8.158   0.189
  471   2HG2  ILE  57          2HG2      ILE  57  -6.076  -7.648   0.104
  472   3HG2  ILE  57          3HG2      ILE  57  -6.794  -8.546  -1.235
  473   1HD1  ILE  57          1HD1      ILE  57  -4.989  -4.858   0.226
  474   2HD1  ILE  57          2HD1      ILE  57  -6.724  -4.650   0.458
  475   3HD1  ILE  57          3HD1      ILE  57  -5.855  -3.620  -0.678
  476    H    LYS  58           H        LYS  58 -10.448  -5.945  -1.645
  477    HA   LYS  58           HA       LYS  58 -11.551  -8.275  -0.554
  478   1HB   LYS  58          2HB       LYS  58 -12.845  -5.773  -1.630
  479   2HB   LYS  58          1HB       LYS  58 -13.756  -7.053  -0.841
  480   1HG   LYS  58          2HG       LYS  58 -12.472  -6.737   1.199
  481   2HG   LYS  58          1HG       LYS  58 -11.506  -5.489   0.409
  482   1HD   LYS  58          2HD       LYS  58 -13.004  -3.978   1.053
  483   2HD   LYS  58          1HD       LYS  58 -14.197  -4.768   0.021
  484   1HE   LYS  58          2HE       LYS  58 -13.606  -5.678   2.831
  485   2HE   LYS  58          1HE       LYS  58 -14.832  -4.469   2.457
  486   1HZ   LYS  58          1HZ       LYS  58 -14.850  -7.342   1.976
  487   2HZ   LYS  58          2HZ       LYS  58 -15.556  -6.379   0.779
  488   3HZ   LYS  58          3HZ       LYS  58 -16.125  -6.302   2.369
  489    H    ASN  59           H        ASN  59 -11.294  -7.289  -3.878
  490    HA   ASN  59           HA       ASN  59 -13.242  -9.320  -4.712
  491   1HB   ASN  59          2HB       ASN  59 -12.120  -6.860  -5.976
  492   2HB   ASN  59          1HB       ASN  59 -12.623  -8.176  -7.027
  493   1HD2  ASN  59          1HD2      ASN  59 -13.647  -5.360  -5.992
  494   2HD2  ASN  59          2HD2      ASN  59 -15.346  -5.642  -5.853
  495    H    ASN  60           H        ASN  60 -10.330  -9.706  -3.768
  496    HA   ASN  60           HA       ASN  60  -8.626 -11.131  -4.228
  497   1HB   ASN  60          2HB       ASN  60 -10.857 -12.264  -5.511
  498   2HB   ASN  60          1HB       ASN  60  -9.541 -12.347  -6.679
  499   1HD2  ASN  60          1HD2      ASN  60 -10.033 -12.814  -3.198
  500   2HD2  ASN  60          2HD2      ASN  60  -9.120 -14.278  -3.092
  501    H    ASP  61           H        ASP  61  -9.002  -8.457  -5.627
  502    HA   ASP  61           HA       ASP  61  -7.623  -8.706  -8.124
  503   1HB   ASP  61          2HB       ASP  61  -8.097  -6.294  -6.356
  504   2HB   ASP  61          1HB       ASP  61  -7.475  -6.230  -7.998
  505    H    TYR  62           H        TYR  62  -6.744  -8.319  -4.789
  506    HA   TYR  62           HA       TYR  62  -3.902  -8.185  -5.536
  507   1HB   TYR  62          2HB       TYR  62  -5.385  -7.006  -3.195
  508   2HB   TYR  62          1HB       TYR  62  -3.647  -7.259  -3.147
  509    HD1  TYR  62           1HD      TYR  62  -2.220  -6.113  -4.915
  510    HD2  TYR  62           2HD      TYR  62  -6.296  -5.113  -4.224
  511    HE1  TYR  62           1HE      TYR  62  -1.877  -3.957  -6.038
  512    HE2  TYR  62           2HE      TYR  62  -5.964  -2.956  -5.350
  513    HH   TYR  62           HH       TYR  62  -4.214  -1.433  -5.935
  514    H    GLN  63           H        GLN  63  -3.271 -10.261  -5.486
  515    HA   GLN  63           HA       GLN  63  -3.383 -11.669  -2.945
  516   1HB   GLN  63          2HB       GLN  63  -5.370 -12.419  -4.282
  517   2HB   GLN  63          1HB       GLN  63  -4.263 -12.993  -5.521
  518   1HG   GLN  63          2HG       GLN  63  -3.398 -14.124  -3.098
  519   2HG   GLN  63          1HG       GLN  63  -5.151 -14.297  -3.137
  520   1HE2  GLN  63          1HE2      GLN  63  -2.168 -15.010  -4.842
  521   2HE2  GLN  63          2HE2      GLN  63  -2.789 -16.333  -5.763
  522    H    SER  64           H        SER  64  -1.442 -10.345  -4.894
  523    HA   SER  64           HA       SER  64   0.523 -12.506  -4.843
  524   1HB   SER  64          2HB       SER  64  -0.267 -12.425  -7.148
  525   2HB   SER  64          1HB       SER  64   0.008 -10.685  -7.207
  526    HG   SER  64           HG       SER  64   1.978 -12.708  -6.888
  527    H    ILE  65           H        ILE  65   2.519 -11.896  -4.314
  528    HA   ILE  65           HA       ILE  65   2.984  -9.609  -2.835
  529    HB   ILE  65           HB       ILE  65   5.452 -10.123  -3.260
  530   1HG1  ILE  65          2HG1      ILE  65   4.386 -12.696  -4.401
  531   2HG1  ILE  65          1HG1      ILE  65   4.889 -11.366  -5.437
  532   1HG2  ILE  65          1HG2      ILE  65   5.216 -12.333  -1.950
  533   2HG2  ILE  65          2HG2      ILE  65   3.490 -11.976  -1.988
  534   3HG2  ILE  65          3HG2      ILE  65   4.609 -10.843  -1.231
  535   1HD1  ILE  65          1HD1      ILE  65   6.490 -13.383  -4.569
  536   2HD1  ILE  65          2HD1      ILE  65   6.861 -12.102  -3.416
  537   3HD1  ILE  65          3HD1      ILE  65   7.053 -11.814  -5.145
  538    H    GLU  66           H        GLU  66   3.483 -10.192  -6.278
  539    HA   GLU  66           HA       GLU  66   4.931  -7.799  -6.791
  540   1HB   GLU  66          2HB       GLU  66   4.476 -10.039  -8.231
  541   2HB   GLU  66          1HB       GLU  66   3.289  -8.970  -8.964
  542   1HG   GLU  66          2HG       GLU  66   5.222  -8.769 -10.273
  543   2HG   GLU  66          1HG       GLU  66   5.163  -7.310  -9.286
  544    H    GLU  67           H        GLU  67   1.503  -8.688  -7.025
  545    HA   GLU  67           HA       GLU  67   0.583  -6.270  -8.139
  546   1HB   GLU  67          2HB       GLU  67  -0.587  -8.650  -6.908
  547   2HB   GLU  67          1HB       GLU  67  -1.515  -7.192  -6.589
  548   1HG   GLU  67          2HG       GLU  67  -0.656  -7.984  -9.351
  549   2HG   GLU  67          1HG       GLU  67  -2.160  -8.543  -8.622
  550    H    LEU  68           H        LEU  68   0.755  -7.358  -4.750
  551    HA   LEU  68           HA       LEU  68  -0.314  -4.990  -3.633
  552   1HB   LEU  68          2HB       LEU  68   1.288  -7.278  -2.548
  553   2HB   LEU  68          1HB       LEU  68   1.027  -5.861  -1.553
  554    HG   LEU  68           HG       LEU  68  -0.609  -7.482  -0.954
  555   1HD1  LEU  68          1HD1      LEU  68  -1.336  -5.101  -1.159
  556   2HD1  LEU  68          2HD1      LEU  68  -2.638  -6.285  -1.270
  557   3HD1  LEU  68          3HD1      LEU  68  -2.024  -5.510  -2.731
  558   1HD2  LEU  68          1HD2      LEU  68  -1.394  -7.611  -3.862
  559   2HD2  LEU  68          2HD2      LEU  68  -2.147  -8.490  -2.532
  560   3HD2  LEU  68          3HD2      LEU  68  -0.483  -8.843  -2.988
  561    H    LYS  69           H        LYS  69   3.040  -6.074  -4.107
  562    HA   LYS  69           HA       LYS  69   4.230  -3.799  -2.923
  563   1HB   LYS  69          2HB       LYS  69   5.291  -6.075  -3.360
  564   2HB   LYS  69          1HB       LYS  69   5.518  -5.538  -5.020
  565   1HG   LYS  69          2HG       LYS  69   6.545  -3.464  -3.510
  566   2HG   LYS  69          1HG       LYS  69   7.041  -4.914  -2.637
  567   1HD   LYS  69          2HD       LYS  69   7.374  -5.042  -5.558
  568   2HD   LYS  69          1HD       LYS  69   8.386  -3.850  -4.742
  569   1HE   LYS  69          2HE       LYS  69   8.975  -5.753  -3.122
  570   2HE   LYS  69          1HE       LYS  69   8.291  -6.824  -4.344
  571   1HZ   LYS  69          1HZ       LYS  69  10.590  -6.714  -4.763
  572   2HZ   LYS  69          2HZ       LYS  69  10.637  -5.031  -4.608
  573   3HZ   LYS  69          3HZ       LYS  69   9.877  -5.737  -5.945
  574    H    ASP  70           H        ASP  70   3.603  -4.620  -6.340
  575    HA   ASP  70           HA       ASP  70   4.844  -2.362  -7.446
  576   1HB   ASP  70          2HB       ASP  70   2.721  -4.234  -8.451
  577   2HB   ASP  70          1HB       ASP  70   3.203  -2.836  -9.404
  578    H    ASN  71           H        ASN  71   1.408  -2.855  -6.579
  579    HA   ASN  71           HA       ASN  71   0.680  -0.225  -7.443
  580   1HB   ASN  71          2HB       ASN  71  -0.785  -2.336  -5.869
  581   2HB   ASN  71          1HB       ASN  71  -1.491  -0.762  -6.223
  582   1HD2  ASN  71          1HD2      ASN  71  -0.922  -0.205  -8.729
  583   2HD2  ASN  71          2HD2      ASN  71  -1.483  -1.427  -9.813
  584    H    PHE  72           H        PHE  72   1.266  -1.700  -4.248
  585    HA   PHE  72           HA       PHE  72   0.614   0.547  -2.695
  586   1HB   PHE  72          2HB       PHE  72   0.946  -1.647  -1.683
  587   2HB   PHE  72          1HB       PHE  72   2.638  -1.645  -2.160
  588    HD1  PHE  72           2HD      PHE  72   0.155  -0.214   0.140
  589    HD2  PHE  72           1HD      PHE  72   4.278  -0.418  -0.914
  590    HE1  PHE  72           2HE      PHE  72   0.758   0.815   2.292
  591    HE2  PHE  72           1HE      PHE  72   4.881   0.612   1.236
  592    HZ   PHE  72           HZ       PHE  72   3.120   1.230   2.843
  593    H    LYS  73           H        LYS  73   3.659  -0.446  -4.208
  594    HA   LYS  73           HA       LYS  73   5.240   1.671  -3.204
  595   1HB   LYS  73          2HB       LYS  73   5.516  -0.216  -5.521
  596   2HB   LYS  73          1HB       LYS  73   6.652   1.109  -5.312
  597   1HG   LYS  73          2HG       LYS  73   7.414   0.255  -3.243
  598   2HG   LYS  73          1HG       LYS  73   6.090  -0.909  -3.158
  599   1HD   LYS  73          2HD       LYS  73   8.092  -2.068  -3.809
  600   2HD   LYS  73          1HD       LYS  73   7.001  -2.008  -5.193
  601   1HE   LYS  73          2HE       LYS  73   8.423   0.252  -5.595
  602   2HE   LYS  73          1HE       LYS  73   9.635  -0.743  -4.790
  603   1HZ   LYS  73          1HZ       LYS  73   9.688  -2.230  -6.504
  604   2HZ   LYS  73          2HZ       LYS  73   9.323  -0.824  -7.371
  605   3HZ   LYS  73          3HZ       LYS  73   8.096  -1.925  -6.992
  606    H    LEU  74           H        LEU  74   3.186   1.355  -6.065
  607    HA   LEU  74           HA       LEU  74   4.084   3.605  -7.466
  608   1HB   LEU  74          2HB       LEU  74   1.531   2.061  -7.402
  609   2HB   LEU  74          1HB       LEU  74   1.548   3.606  -8.231
  610    HG   LEU  74           HG       LEU  74   3.683   1.644  -8.920
  611   1HD1  LEU  74          1HD1      LEU  74   1.537   1.176 -10.686
  612   2HD1  LEU  74          2HD1      LEU  74   0.909   0.978  -9.050
  613   3HD1  LEU  74          3HD1      LEU  74   2.304   0.040  -9.577
  614   1HD2  LEU  74          1HD2      LEU  74   2.522   4.062  -9.979
  615   2HD2  LEU  74          2HD2      LEU  74   2.514   2.773 -11.183
  616   3HD2  LEU  74          3HD2      LEU  74   4.028   3.253 -10.413
  617    H    MET  75           H        MET  75   1.464   3.326  -5.040
  618    HA   MET  75           HA       MET  75   0.795   6.084  -5.159
  619   1HB   MET  75          2HB       MET  75  -0.521   4.042  -4.135
  620   2HB   MET  75          1HB       MET  75   0.308   4.534  -2.663
  621   1HG   MET  75          2HG       MET  75  -1.113   6.607  -4.270
  622   2HG   MET  75          1HG       MET  75  -2.055   5.493  -3.278
  623   1HE   MET  75          1HE       MET  75  -1.260   4.935  -0.822
  624   2HE   MET  75          2HE       MET  75  -0.598   6.142   0.282
  625   3HE   MET  75          3HE       MET  75   0.472   5.265  -0.814
  626    H    CYS  76           H        CYS  76   2.979   4.220  -3.092
  627    HA   CYS  76           HA       CYS  76   3.617   6.282  -1.287
  628   1HB   CYS  76          2HB       CYS  76   4.871   3.702  -2.087
  629   2HB   CYS  76          1HB       CYS  76   5.879   4.861  -1.228
  630    HG   CYS  76           HG       CYS  76   3.669   4.710   0.540
  631    H    THR  77           H        THR  77   5.249   5.221  -4.268
  632    HA   THR  77           HA       THR  77   7.240   7.255  -4.173
  633    HB   THR  77           HB       THR  77   6.331   5.728  -6.617
  634    HG1  THR  77           1HG      THR  77   6.890   4.073  -5.422
  635   1HG2  THR  77          1HG2      THR  77   8.980   6.942  -5.876
  636   2HG2  THR  77          2HG2      THR  77   7.892   7.472  -7.157
  637   3HG2  THR  77          3HG2      THR  77   8.694   5.906  -7.274
  638    H    ASN  78           H        ASN  78   4.121   6.929  -5.828
  639    HA   ASN  78           HA       ASN  78   4.321   9.282  -7.386
  640   1HB   ASN  78          2HB       ASN  78   1.984   7.609  -6.473
  641   2HB   ASN  78          1HB       ASN  78   1.780   9.048  -7.455
  642   1HD2  ASN  78          1HD2      ASN  78   0.832   6.823  -8.510
  643   2HD2  ASN  78          2HD2      ASN  78   1.851   6.222  -9.765
  644    H    ALA  79           H        ALA  79   3.029   8.632  -4.160
  645    HA   ALA  79           HA       ALA  79   1.860  11.186  -3.781
  646   1HB   ALA  79          1HB       ALA  79   1.982  10.525  -1.324
  647   2HB   ALA  79          2HB       ALA  79   2.671   9.003  -1.883
  648   3HB   ALA  79          3HB       ALA  79   1.049   9.477  -2.390
  649    H    MET  80           H        MET  80   5.012   9.806  -2.916
  650    HA   MET  80           HA       MET  80   5.908  12.149  -1.552
  651   1HB   MET  80          2HB       MET  80   8.047  11.050  -1.402
  652   2HB   MET  80          1HB       MET  80   6.781   9.878  -1.074
  653   1HG   MET  80          2HG       MET  80   7.003   8.969  -3.306
  654   2HG   MET  80          1HG       MET  80   8.211  10.189  -3.704
  655   1HE   MET  80          1HE       MET  80  10.072   9.567  -4.176
  656   2HE   MET  80          2HE       MET  80  10.850   8.024  -3.829
  657   3HE   MET  80          3HE       MET  80  11.213   9.436  -2.839
  658    H    ILE  81           H        ILE  81   6.295  10.918  -4.864
  659    HA   ILE  81           HA       ILE  81   8.266  12.759  -5.661
  660    HB   ILE  81           HB       ILE  81   7.730  10.781  -7.008
  661   1HG1  ILE  81          2HG1      ILE  81   7.288  12.366  -9.221
  662   2HG1  ILE  81          1HG1      ILE  81   7.946  13.509  -8.056
  663   1HG2  ILE  81          1HG2      ILE  81   5.781  10.658  -8.406
  664   2HG2  ILE  81          2HG2      ILE  81   5.227  12.233  -7.843
  665   3HG2  ILE  81          3HG2      ILE  81   5.280  10.867  -6.732
  666   1HD1  ILE  81          1HD1      ILE  81   9.960  12.333  -7.878
  667   2HD1  ILE  81          2HD1      ILE  81   9.580  12.337  -9.600
  668   3HD1  ILE  81          3HD1      ILE  81   9.283  10.891  -8.634
  669    H    TYR  82           H        TYR  82   4.688  12.951  -5.880
  670    HA   TYR  82           HA       TYR  82   4.726  15.548  -7.055
  671   1HB   TYR  82          2HB       TYR  82   2.793  13.928  -7.167
  672   2HB   TYR  82          1HB       TYR  82   2.455  14.312  -5.483
  673    HD1  TYR  82           1HD      TYR  82   3.703  17.049  -7.482
  674    HD2  TYR  82           2HD      TYR  82   0.177  14.976  -6.315
  675    HE1  TYR  82           1HE      TYR  82   2.347  18.966  -8.197
  676    HE2  TYR  82           2HE      TYR  82  -1.184  16.890  -7.025
  677    HH   TYR  82           HH       TYR  82  -0.030  19.892  -7.539
  678    H    ASN  83           H        ASN  83   4.415  14.360  -3.723
  679    HA   ASN  83           HA       ASN  83   4.319  17.102  -2.728
  680   1HB   ASN  83          2HB       ASN  83   3.765  14.410  -1.536
  681   2HB   ASN  83          1HB       ASN  83   4.143  15.763  -0.482
  682   1HD2  ASN  83          1HD2      ASN  83   1.646  14.095  -1.362
  683   2HD2  ASN  83          2HD2      ASN  83   0.432  15.314  -1.529
  684    H    LYS  84           H        LYS  84   6.423  17.790  -3.117
  685    HA   LYS  84           HA       LYS  84   8.768  16.398  -2.440
  686   1HB   LYS  84          2HB       LYS  84   8.408  19.404  -2.472
  687   2HB   LYS  84          1HB       LYS  84   9.917  18.522  -2.664
  688   1HG   LYS  84          2HG       LYS  84   9.037  17.561  -4.770
  689   2HG   LYS  84          1HG       LYS  84   7.603  18.574  -4.589
  690   1HD   LYS  84          2HD       LYS  84   9.286  20.528  -4.420
  691   2HD   LYS  84          1HD       LYS  84  10.437  19.392  -5.128
  692   1HE   LYS  84          2HE       LYS  84   9.139  19.160  -7.095
  693   2HE   LYS  84          1HE       LYS  84   7.754  19.965  -6.361
  694   1HZ   LYS  84          1HZ       LYS  84   9.470  21.921  -6.165
  695   2HZ   LYS  84          2HZ       LYS  84   8.608  21.658  -7.597
  696   3HZ   LYS  84          3HZ       LYS  84  10.208  21.124  -7.464
  697    HA   PRO  85           HA       PRO  85   9.328  16.771   1.930
  698   1HB   PRO  85          2HB       PRO  85  11.863  18.269   1.599
  699   2HB   PRO  85          1HB       PRO  85  11.571  16.707   2.371
  700   1HG   PRO  85          2HG       PRO  85  12.799  16.867   0.006
  701   2HG   PRO  85          1HG       PRO  85  11.666  15.550   0.364
  702   1HD   PRO  85          2HD       PRO  85  11.238  18.035  -1.255
  703   2HD   PRO  85          1HD       PRO  85  10.701  16.374  -1.579
  704    H    GLU  86           H        GLU  86   7.521  18.412   1.736
  705    HA   GLU  86           HA       GLU  86   8.234  21.190   2.090
  706   1HB   GLU  86          2HB       GLU  86   6.200  20.392   0.843
  707   2HB   GLU  86          1HB       GLU  86   5.519  19.894   2.384
  708   1HG   GLU  86          2HG       GLU  86   4.576  21.989   1.872
  709   2HG   GLU  86          1HG       GLU  86   5.761  22.274   3.145
  710    H    THR  87           H        THR  87   6.278  18.940   4.073
  711    HA   THR  87           HA       THR  87   7.538  20.063   6.468
  712    HB   THR  87           HB       THR  87   4.968  19.688   7.341
  713    HG1  THR  87           1HG      THR  87   4.331  19.455   5.081
  714   1HG2  THR  87          1HG2      THR  87   4.919  22.329   6.585
  715   2HG2  THR  87          2HG2      THR  87   6.641  21.977   6.736
  716   3HG2  THR  87          3HG2      THR  87   5.558  21.687   8.097
  717    H    ILE  88           H        ILE  88   4.773  17.856   6.167
  718    HA   ILE  88           HA       ILE  88   6.472  15.671   7.156
  719    HB   ILE  88           HB       ILE  88   4.744  14.896   8.648
  720   1HG1  ILE  88          2HG1      ILE  88   2.813  15.764   7.270
  721   2HG1  ILE  88          1HG1      ILE  88   2.653  15.996   9.005
  722   1HG2  ILE  88          1HG2      ILE  88   6.019  16.201   9.965
  723   2HG2  ILE  88          2HG2      ILE  88   4.558  17.184  10.039
  724   3HG2  ILE  88          3HG2      ILE  88   5.852  17.612   8.922
  725   1HD1  ILE  88          1HD1      ILE  88   2.059  18.071   8.430
  726   2HD1  ILE  88          2HD1      ILE  88   2.827  17.963   6.847
  727   3HD1  ILE  88          3HD1      ILE  88   3.795  18.342   8.272
  728    H    TYR  89           H        TYR  89   4.725  16.627   4.590
  729    HA   TYR  89           HA       TYR  89   3.061  14.364   4.101
  730   1HB   TYR  89          2HB       TYR  89   3.984  16.718   2.522
  731   2HB   TYR  89          1HB       TYR  89   3.371  15.326   1.636
  732    HD1  TYR  89           2HD      TYR  89   2.473  17.726   4.337
  733    HD2  TYR  89           1HD      TYR  89   1.073  15.009   1.376
  734    HE1  TYR  89           2HE      TYR  89   0.170  18.488   4.733
  735    HE2  TYR  89           1HE      TYR  89  -1.231  15.765   1.764
  736    HH   TYR  89           HH       TYR  89  -2.337  17.119   4.231
  737    H    TYR  90           H        TYR  90   6.282  15.351   2.955
  738    HA   TYR  90           HA       TYR  90   6.722  13.082   1.322
  739   1HB   TYR  90          2HB       TYR  90   8.033  15.172   1.124
  740   2HB   TYR  90          1HB       TYR  90   8.775  14.843   2.686
  741    HD1  TYR  90           2HD      TYR  90   8.359  13.370  -0.716
  742    HD2  TYR  90           1HD      TYR  90  10.762  13.632   2.787
  743    HE1  TYR  90           2HE      TYR  90  10.118  12.066  -1.832
  744    HE2  TYR  90           1HE      TYR  90  12.528  12.328   1.679
  745    HH   TYR  90           HH       TYR  90  12.022  10.675  -1.273
  746    H    LYS  91           H        LYS  91   7.576  13.802   4.692
  747    HA   LYS  91           HA       LYS  91   9.003  11.408   5.174
  748   1HB   LYS  91          2HB       LYS  91   7.542  13.201   7.126
  749   2HB   LYS  91          1HB       LYS  91   8.690  11.944   7.565
  750   1HG   LYS  91          2HG       LYS  91   9.763  13.839   5.632
  751   2HG   LYS  91          1HG       LYS  91   9.274  14.592   7.152
  752   1HD   LYS  91          2HD       LYS  91  10.569  12.420   8.092
  753   2HD   LYS  91          1HD       LYS  91  11.456  12.683   6.589
  754   1HE   LYS  91          2HE       LYS  91  12.610  13.918   8.232
  755   2HE   LYS  91          1HE       LYS  91  11.684  15.101   7.309
  756   1HZ   LYS  91          1HZ       LYS  91   9.936  14.798   9.132
  757   2HZ   LYS  91          2HZ       LYS  91  11.322  15.688   9.513
  758   3HZ   LYS  91          3HZ       LYS  91  11.176  14.086  10.037
  759    H    ALA  92           H        ALA  92   5.589  12.280   5.520
  760    HA   ALA  92           HA       ALA  92   4.700  10.019   6.906
  761   1HB   ALA  92          1HB       ALA  92   3.425  12.054   5.165
  762   2HB   ALA  92          2HB       ALA  92   3.036  11.566   6.815
  763   3HB   ALA  92          3HB       ALA  92   2.528  10.564   5.455
  764    H    ALA  93           H        ALA  93   4.958  10.597   3.403
  765    HA   ALA  93           HA       ALA  93   3.963   8.060   2.617
  766   1HB   ALA  93          1HB       ALA  93   4.238  10.239   1.239
  767   2HB   ALA  93          2HB       ALA  93   4.460   8.683   0.442
  768   3HB   ALA  93          3HB       ALA  93   5.863   9.634   0.924
  769    H    LYS  94           H        LYS  94   7.238   9.296   3.189
  770    HA   LYS  94           HA       LYS  94   8.616   7.005   2.271
  771   1HB   LYS  94          2HB       LYS  94   9.491   9.402   2.790
  772   2HB   LYS  94          1HB       LYS  94   9.702   8.793   4.425
  773   1HG   LYS  94          2HG       LYS  94  11.761   8.661   3.106
  774   2HG   LYS  94          1HG       LYS  94  11.202   7.071   3.629
  775   1HD   LYS  94          2HD       LYS  94  10.425   6.523   1.469
  776   2HD   LYS  94          1HD       LYS  94  10.532   8.197   0.921
  777   1HE   LYS  94          2HE       LYS  94  13.057   7.052   1.889
  778   2HE   LYS  94          1HE       LYS  94  12.403   6.278   0.444
  779   1HZ   LYS  94          1HZ       LYS  94  12.571   9.216   0.572
  780   2HZ   LYS  94          2HZ       LYS  94  12.599   8.198  -0.780
  781   3HZ   LYS  94          3HZ       LYS  94  13.959   8.315   0.217
  782    H    LYS  95           H        LYS  95   7.616   8.001   5.545
  783    HA   LYS  95           HA       LYS  95   8.719   5.819   6.926
  784   1HB   LYS  95          2HB       LYS  95   7.135   8.070   7.570
  785   2HB   LYS  95          1HB       LYS  95   6.261   6.666   8.163
  786   1HG   LYS  95          2HG       LYS  95   7.534   6.945   9.982
  787   2HG   LYS  95          1HG       LYS  95   8.755   6.095   9.033
  788   1HD   LYS  95          2HD       LYS  95   9.377   8.459   8.170
  789   2HD   LYS  95          1HD       LYS  95   8.488   9.028   9.584
  790   1HE   LYS  95          2HE       LYS  95  10.428   6.874  10.096
  791   2HE   LYS  95          1HE       LYS  95  11.128   8.405   9.574
  792   1HZ   LYS  95          1HZ       LYS  95  10.507   9.441  11.474
  793   2HZ   LYS  95          2HZ       LYS  95  10.594   7.873  12.101
  794   3HZ   LYS  95          3HZ       LYS  95   9.097   8.527  11.669
  795    H    LEU  96           H        LEU  96   5.487   6.289   5.529
  796    HA   LEU  96           HA       LEU  96   4.397   3.829   6.362
  797   1HB   LEU  96          2HB       LEU  96   3.319   5.979   5.275
  798   2HB   LEU  96          1HB       LEU  96   3.564   5.088   3.785
  799    HG   LEU  96           HG       LEU  96   2.204   3.230   4.702
  800   1HD1  LEU  96          1HD1      LEU  96   1.000   4.832   6.818
  801   2HD1  LEU  96          2HD1      LEU  96   2.674   4.382   7.145
  802   3HD1  LEU  96          3HD1      LEU  96   1.475   3.133   6.810
  803   1HD2  LEU  96          1HD2      LEU  96   0.979   5.973   4.554
  804   2HD2  LEU  96          2HD2      LEU  96   0.026   4.493   4.663
  805   3HD2  LEU  96          3HD2      LEU  96   1.088   4.759   3.281
  806    H    LEU  97           H        LEU  97   6.337   4.728   3.556
  807    HA   LEU  97           HA       LEU  97   5.971   2.415   2.009
  808   1HB   LEU  97          2HB       LEU  97   7.187   4.647   1.456
  809   2HB   LEU  97          1HB       LEU  97   8.598   3.865   2.145
  810    HG   LEU  97           HG       LEU  97   7.042   2.566  -0.075
  811   1HD1  LEU  97          1HD1      LEU  97   8.032   3.784  -1.708
  812   2HD1  LEU  97          2HD1      LEU  97   9.470   4.119  -0.744
  813   3HD1  LEU  97          3HD1      LEU  97   7.987   5.032  -0.462
  814   1HD2  LEU  97          1HD2      LEU  97   9.847   2.335   0.996
  815   2HD2  LEU  97          2HD2      LEU  97   9.332   1.619  -0.530
  816   3HD2  LEU  97          3HD2      LEU  97   8.584   1.104   0.980
  817    H    HIS  98           H        HIS  98   8.351   3.179   4.533
  818    HA   HIS  98           HA       HIS  98   9.799   0.769   4.393
  819   1HB   HIS  98          2HB       HIS  98   9.970   3.107   5.885
  820   2HB   HIS  98          1HB       HIS  98   9.620   1.872   7.092
  821    HD1  HIS  98           1HD      HIS  98  12.016   2.206   4.142
  822    HD2  HIS  98           2HD      HIS  98  11.892   0.771   8.039
  823    HE1  HIS  98           1HE      HIS  98  14.334   1.355   4.618
  824    HE2  HIS  98           2HE      HIS  98  14.214   0.416   6.953
  825    H    SER  99           H        SER  99   6.915   1.704   6.207
  826    HA   SER  99           HA       SER  99   6.692  -0.606   7.805
  827   1HB   SER  99          2HB       SER  99   4.324   0.963   6.777
  828   2HB   SER  99          1HB       SER  99   4.493   0.119   8.317
  829    HG   SER  99           HG       SER  99   5.959   1.693   8.975
  830    H    GLY 100           H        GLY 100   5.336   0.221   4.624
  831   1HA   GLY 100          2HA       GLY 100   3.801  -2.069   4.190
  832   2HA   GLY 100          1HA       GLY 100   4.530  -1.091   2.924
  833    H    MET 101           H        MET 101   7.267  -1.549   3.692
  834    HA   MET 101           HA       MET 101   7.700  -4.015   2.329
  835   1HB   MET 101          2HB       MET 101   9.317  -1.786   3.271
  836   2HB   MET 101          1HB       MET 101  10.116  -3.329   3.544
  837   1HG   MET 101          2HG       MET 101   9.024  -3.352   0.926
  838   2HG   MET 101          1HG       MET 101   9.903  -1.841   1.146
  839   1HE   MET 101          1HE       MET 101  12.106  -1.472   1.275
  840   2HE   MET 101          2HE       MET 101  13.434  -2.604   1.011
  841   3HE   MET 101          3HE       MET 101  12.759  -2.395   2.628
  842    H    LYS 102           H        LYS 102   8.165  -2.965   5.700
  843    HA   LYS 102           HA       LYS 102   9.179  -5.372   6.694
  844   1HB   LYS 102          2HB       LYS 102   8.656  -2.872   7.705
  845   2HB   LYS 102          1HB       LYS 102   7.486  -3.872   8.556
  846   1HG   LYS 102          2HG       LYS 102  10.097  -5.102   8.501
  847   2HG   LYS 102          1HG       LYS 102  10.139  -3.486   9.211
  848   1HD   LYS 102          2HD       LYS 102   8.823  -4.077  10.978
  849   2HD   LYS 102          1HD       LYS 102   7.935  -5.286  10.048
  850   1HE   LYS 102          2HE       LYS 102   9.172  -6.590  11.508
  851   2HE   LYS 102          1HE       LYS 102  10.176  -6.585  10.060
  852   1HZ   LYS 102          1HZ       LYS 102  11.078  -6.004  12.505
  853   2HZ   LYS 102          2HZ       LYS 102  10.715  -4.448  11.947
  854   3HZ   LYS 102          3HZ       LYS 102  11.789  -5.427  11.082
  855    H    ILE 103           H        ILE 103   5.811  -4.176   6.610
  856    HA   ILE 103           HA       ILE 103   4.660  -6.396   7.888
  857    HB   ILE 103           HB       ILE 103   2.535  -5.665   6.795
  858   1HG1  ILE 103          2HG1      ILE 103   3.097  -3.126   5.891
  859   2HG1  ILE 103          1HG1      ILE 103   4.421  -4.077   5.231
  860   1HG2  ILE 103          1HG2      ILE 103   2.334  -3.619   8.082
  861   2HG2  ILE 103          2HG2      ILE 103   4.089  -3.505   8.196
  862   3HG2  ILE 103          3HG2      ILE 103   3.238  -4.836   8.982
  863   1HD1  ILE 103          1HD1      ILE 103   1.711  -5.194   4.905
  864   2HD1  ILE 103          2HD1      ILE 103   3.083  -5.194   3.799
  865   3HD1  ILE 103          3HD1      ILE 103   2.095  -3.745   3.979
  866    H    LEU 104           H        LEU 104   5.368  -5.749   4.479
  867    HA   LEU 104           HA       LEU 104   3.977  -7.929   3.380
  868   1HB   LEU 104          2HB       LEU 104   5.898  -5.968   2.478
  869   2HB   LEU 104          1HB       LEU 104   6.251  -7.542   1.791
  870    HG   LEU 104           HG       LEU 104   3.426  -6.655   1.654
  871   1HD1  LEU 104          1HD1      LEU 104   5.090  -4.699   1.076
  872   2HD1  LEU 104          2HD1      LEU 104   3.671  -5.020   0.078
  873   3HD1  LEU 104          3HD1      LEU 104   5.258  -5.593  -0.433
  874   1HD2  LEU 104          1HD2      LEU 104   4.108  -8.796   0.740
  875   2HD2  LEU 104          2HD2      LEU 104   5.316  -8.004  -0.273
  876   3HD2  LEU 104          3HD2      LEU 104   3.598  -7.714  -0.558
  877    H    SER 105           H        SER 105   6.993  -7.784   5.108
  878    HA   SER 105           HA       SER 105   7.808 -10.434   4.225
  879   1HB   SER 105          2HB       SER 105   9.431  -8.507   4.633
  880   2HB   SER 105          1HB       SER 105   9.141  -8.758   6.354
  881    HG   SER 105           HG       SER 105   9.901 -10.894   6.103
  882    H    GLN 106           H        GLN 106   5.359  -9.797   6.018
  883    HA   GLN 106           HA       GLN 106   6.078 -11.451   8.331
  884   1HB   GLN 106          2HB       GLN 106   3.763  -9.596   7.803
  885   2HB   GLN 106          1HB       GLN 106   3.776 -10.721   9.153
  886   1HG   GLN 106          2HG       GLN 106   6.225  -9.380   9.275
  887   2HG   GLN 106          1HG       GLN 106   5.020  -8.148   8.908
  888   1HE2  GLN 106          1HE2      GLN 106   4.422  -7.159  10.705
  889   2HE2  GLN 106          2HE2      GLN 106   4.102  -7.919  12.222
  890    H    GLU 107           H        GLU 107   3.940 -11.307   5.535
  891    HA   GLU 107           HA       GLU 107   2.223 -13.423   6.116
  892   1HB   GLU 107          2HB       GLU 107   2.495 -11.729   4.021
  893   2HB   GLU 107          1HB       GLU 107   3.129 -13.205   3.307
  894   1HG   GLU 107          2HG       GLU 107   0.509 -13.222   4.744
  895   2HG   GLU 107          1HG       GLU 107   0.618 -12.656   3.079
  896    H    ARG 108           H        ARG 108   5.519 -13.455   4.867
  897    HA   ARG 108           HA       ARG 108   5.451 -16.399   4.890
  898   1HB   ARG 108          2HB       ARG 108   6.678 -14.452   3.071
  899   2HB   ARG 108          1HB       ARG 108   7.770 -15.735   3.572
  900   1HG   ARG 108          2HG       ARG 108   6.293 -17.416   2.729
  901   2HG   ARG 108          1HG       ARG 108   5.040 -16.216   2.403
  902   1HD   ARG 108          2HD       ARG 108   7.217 -15.230   1.033
  903   2HD   ARG 108          1HD       ARG 108   7.370 -16.973   0.818
  904    HE   ARG 108           HE       ARG 108   5.537 -16.932  -0.546
  905   1HH1  ARG 108          1HH1      ARG 108   5.642 -13.931   1.257
  906   2HH1  ARG 108          2HH1      ARG 108   4.349 -13.205   0.365
  907   1HH2  ARG 108          1HH2      ARG 108   3.833 -15.967  -1.721
  908   2HH2  ARG 108          2HH2      ARG 108   3.321 -14.361  -1.326
  909    H    LEU 109           H        LEU 109   8.065 -13.978   5.128
  910    HA   LEU 109           HA       LEU 109   9.717 -13.636   6.643
  911   1HB   LEU 109          2HB       LEU 109   7.790 -13.670   8.268
  912   2HB   LEU 109          1HB       LEU 109   8.152 -15.362   8.558
  913    HG   LEU 109           HG       LEU 109  10.463 -14.647   9.279
  914   1HD1  LEU 109          1HD1      LEU 109  10.770 -12.528   8.360
  915   2HD1  LEU 109          2HD1      LEU 109  10.499 -12.205  10.072
  916   3HD1  LEU 109          3HD1      LEU 109   9.195 -11.956   8.910
  917   1HD2  LEU 109          1HD2      LEU 109   9.793 -14.321  11.467
  918   2HD2  LEU 109          2HD2      LEU 109   8.371 -15.081  10.751
  919   3HD2  LEU 109          3HD2      LEU 109   8.404 -13.336  11.007
  920    H    GLU 110           H        GLU 110   8.657 -16.976   7.395
  921    HA   GLU 110           HA       GLU 110  11.334 -17.906   6.586
  922   1HB   GLU 110          2HB       GLU 110   9.706 -18.670   9.008
  923   2HB   GLU 110          1HB       GLU 110  10.998 -19.693   8.397
  924   1HG   GLU 110          2HG       GLU 110  11.346 -16.830   9.255
  925   2HG   GLU 110          1HG       GLU 110  11.687 -18.234  10.264
  926    H    HIS 111           H        HIS 111  11.176 -20.507   6.523
  927    HA   HIS 111           HA       HIS 111   9.271 -21.055   4.427
  928   1HB   HIS 111          2HB       HIS 111  11.467 -22.692   5.698
  929   2HB   HIS 111          1HB       HIS 111  10.402 -23.337   4.455
  930    HD1  HIS 111           1HD      HIS 111  13.572 -21.734   4.830
  931    HD2  HIS 111           2HD      HIS 111  10.536 -21.602   1.995
  932    HE1  HIS 111           1HE      HIS 111  14.632 -20.794   2.752
  933    HE2  HIS 111           2HE      HIS 111  12.751 -20.622   1.086
  934    H    HIS 112           H        HIS 112   8.284 -23.431   4.545
  935    HA   HIS 112           HA       HIS 112   6.955 -23.706   7.162
  936   1HB   HIS 112          2HB       HIS 112   5.781 -23.976   4.393
  937   2HB   HIS 112          1HB       HIS 112   4.967 -24.553   5.842
  938    HD1  HIS 112           1HD      HIS 112   6.285 -21.725   7.239
  939    HD2  HIS 112           2HD      HIS 112   3.455 -22.239   4.236
  940    HE1  HIS 112           1HE      HIS 112   4.957 -19.591   7.191
  941    HE2  HIS 112           2HE      HIS 112   3.200 -19.956   5.425
  942    H    HIS 113           H        HIS 113   7.255 -25.599   8.122
  943    HA   HIS 113           HA       HIS 113   7.637 -27.805   8.502
  944   1HB   HIS 113          2HB       HIS 113   7.133 -28.289   5.562
  945   2HB   HIS 113          1HB       HIS 113   7.015 -29.455   6.876
  946    HD1  HIS 113           1HD      HIS 113   4.984 -29.041   8.587
  947    HD2  HIS 113           2HD      HIS 113   4.828 -26.939   5.007
  948    HE1  HIS 113           1HE      HIS 113   2.604 -28.257   8.371
  949    HE2  HIS 113           2HE      HIS 113   2.556 -26.911   6.241
  950    H    HIS 114           H        HIS 114   9.363 -29.262   8.478
  951    HA   HIS 114           HA       HIS 114  11.385 -29.261   6.483
  952   1HB   HIS 114          2HB       HIS 114  11.845 -27.054   7.534
  953   2HB   HIS 114          1HB       HIS 114  12.105 -27.869   9.073
  954    HD1  HIS 114           1HD      HIS 114  14.419 -28.656   9.531
  955    HD2  HIS 114           2HD      HIS 114  13.814 -27.818   5.508
  956    HE1  HIS 114           1HE      HIS 114  16.683 -28.859   8.456
  957    HE2  HIS 114           2HE      HIS 114  16.271 -28.455   6.003
  958    H    HIS 115           H        HIS 115  11.070 -29.662  10.026
  959    HA   HIS 115           HA       HIS 115  12.624 -32.111   9.913
  960   1HB   HIS 115          2HB       HIS 115  12.100 -30.135  11.886
  961   2HB   HIS 115          1HB       HIS 115  11.480 -31.661  12.504
  962    HD1  HIS 115           1HD      HIS 115  14.698 -30.208  11.112
  963    HD2  HIS 115           2HD      HIS 115  13.382 -33.312  13.540
  964    HE1  HIS 115           1HE      HIS 115  16.783 -31.266  12.038
  965    HE2  HIS 115           2HE      HIS 115  15.959 -33.092  13.567
  966    H    HIS 116           H        HIS 116   9.483 -31.308  11.427
  967    HA   HIS 116           HA       HIS 116   8.193 -33.544  10.165
  968   1HB   HIS 116          2HB       HIS 116   7.531 -34.625  12.335
  969   2HB   HIS 116          1HB       HIS 116   9.226 -34.815  11.911
  970    HD1  HIS 116           1HD      HIS 116  10.953 -33.434  13.336
  971    HD2  HIS 116           2HD      HIS 116   7.035 -33.296  14.712
  972    HE1  HIS 116           1HE      HIS 116  11.095 -32.523  15.675
  973    HE2  HIS 116           2HE      HIS 116   8.702 -32.349  16.449
  Start of MODEL   16
    1   1H    MET   0          1HT       MET   0   1.243 -26.621  -7.698
    2   2H    MET   0          2HT       MET   0   0.759 -28.241  -7.994
    3   3H    MET   0          3HT       MET   0   1.120 -27.728  -6.397
    4    HA   MET   0           HA       MET   0  -1.062 -26.657  -8.059
    5   1HB   MET   0          2HB       MET   0  -2.518 -28.008  -6.551
    6   2HB   MET   0          1HB       MET   0  -1.487 -28.989  -7.583
    7   1HG   MET   0          2HG       MET   0  -0.448 -29.923  -5.848
    8   2HG   MET   0          1HG       MET   0  -0.277 -28.386  -5.004
    9   1HE   MET   0          1HE       MET   0  -2.016 -27.270  -3.625
   10   2HE   MET   0          2HE       MET   0  -3.461 -28.024  -2.950
   11   3HE   MET   0          3HE       MET   0  -3.458 -27.460  -4.621
   12    H    GLU   1           H        GLU   1  -1.970 -24.861  -7.240
   13    HA   GLU   1           HA       GLU   1  -1.479 -24.178  -4.424
   14   1HB   GLU   1          2HB       GLU   1  -0.932 -22.480  -6.846
   15   2HB   GLU   1          1HB       GLU   1  -1.250 -21.752  -5.276
   16   1HG   GLU   1          2HG       GLU   1   0.645 -23.515  -4.575
   17   2HG   GLU   1          1HG       GLU   1   1.116 -23.215  -6.249
   18    H    GLU   2           H        GLU   2  -3.832 -25.271  -5.757
   19    HA   GLU   2           HA       GLU   2  -5.720 -23.071  -5.914
   20   1HB   GLU   2          2HB       GLU   2  -5.592 -25.685  -6.983
   21   2HB   GLU   2          1HB       GLU   2  -6.981 -25.656  -5.907
   22   1HG   GLU   2          2HG       GLU   2  -6.723 -23.358  -7.730
   23   2HG   GLU   2          1HG       GLU   2  -7.058 -24.913  -8.486
   24    H    VAL   3           H        VAL   3  -7.560 -22.863  -4.567
   25    HA   VAL   3           HA       VAL   3  -8.695 -22.810  -2.597
   26    HB   VAL   3           HB       VAL   3  -7.408 -25.443  -1.882
   27   1HG1  VAL   3          1HG1      VAL   3  -9.861 -25.652  -0.928
   28   2HG1  VAL   3          2HG1      VAL   3  -9.760 -23.890  -0.936
   29   3HG1  VAL   3          3HG1      VAL   3  -8.585 -24.838  -0.023
   30   1HG2  VAL   3          1HG2      VAL   3  -9.585 -24.833  -3.839
   31   2HG2  VAL   3          2HG2      VAL   3  -9.619 -26.342  -2.925
   32   3HG2  VAL   3          3HG2      VAL   3  -8.247 -25.974  -3.969
   33    H    GLU   4           H        GLU   4  -5.699 -22.052  -2.857
   34    HA   GLU   4           HA       GLU   4  -5.212 -21.771   0.035
   35   1HB   GLU   4          2HB       GLU   4  -3.183 -22.185  -2.166
   36   2HB   GLU   4          1HB       GLU   4  -2.777 -21.765  -0.508
   37   1HG   GLU   4          2HG       GLU   4  -4.396 -24.206  -1.120
   38   2HG   GLU   4          1HG       GLU   4  -2.636 -24.222  -1.236
   39    H    GLN   5           H        GLN   5  -6.250 -20.073  -2.476
   40    HA   GLN   5           HA       GLN   5  -4.512 -17.755  -2.176
   41   1HB   GLN   5          2HB       GLN   5  -6.962 -18.084  -3.917
   42   2HB   GLN   5          1HB       GLN   5  -5.766 -16.798  -4.016
   43   1HG   GLN   5          2HG       GLN   5  -4.203 -18.136  -5.021
   44   2HG   GLN   5          1HG       GLN   5  -4.865 -19.615  -4.328
   45   1HE2  GLN   5          1HE2      GLN   5  -6.384 -20.745  -5.429
   46   2HE2  GLN   5          2HE2      GLN   5  -6.965 -20.307  -6.996
   47    H    THR   6           H        THR   6  -7.627 -18.920  -1.167
   48    HA   THR   6           HA       THR   6  -8.865 -16.497  -0.504
   49    HB   THR   6           HB       THR   6  -9.488 -18.679   1.338
   50    HG1  THR   6           1HG      THR   6  -9.303 -20.233  -0.051
   51   1HG2  THR   6          1HG2      THR   6 -11.360 -17.498   1.193
   52   2HG2  THR   6          2HG2      THR   6 -11.633 -18.354  -0.326
   53   3HG2  THR   6          3HG2      THR   6 -10.882 -16.757  -0.335
   54    HA   PRO   7           HA       PRO   7  -7.018 -17.312   4.034
   55   1HB   PRO   7          2HB       PRO   7  -4.468 -18.527   3.086
   56   2HB   PRO   7          1HB       PRO   7  -5.397 -18.857   4.552
   57   1HG   PRO   7          2HG       PRO   7  -5.444 -20.561   2.513
   58   2HG   PRO   7          1HG       PRO   7  -6.916 -20.216   3.442
   59   1HD   PRO   7          2HD       PRO   7  -6.109 -19.250   0.734
   60   2HD   PRO   7          1HD       PRO   7  -7.717 -19.692   1.345
   61    H    LEU   8           H        LEU   8  -4.965 -16.716   1.200
   62    HA   LEU   8           HA       LEU   8  -3.164 -14.903   2.334
   63   1HB   LEU   8          2HB       LEU   8  -3.772 -15.883  -0.253
   64   2HB   LEU   8          1HB       LEU   8  -3.773 -14.134  -0.361
   65    HG   LEU   8           HG       LEU   8  -1.470 -15.277   1.076
   66   1HD1  LEU   8          1HD1      LEU   8  -2.071 -16.824  -0.945
   67   2HD1  LEU   8          2HD1      LEU   8  -0.406 -16.312  -0.676
   68   3HD1  LEU   8          3HD1      LEU   8  -1.390 -15.504  -1.896
   69   1HD2  LEU   8          1HD2      LEU   8  -0.297 -13.623  -0.384
   70   2HD2  LEU   8          2HD2      LEU   8  -1.548 -12.929   0.647
   71   3HD2  LEU   8          3HD2      LEU   8  -1.865 -13.195  -1.067
   72    H    GLN   9           H        GLN   9  -6.399 -14.417   1.011
   73    HA   GLN   9           HA       GLN   9  -6.454 -11.638   0.861
   74   1HB   GLN   9          2HB       GLN   9  -8.228 -13.571   0.302
   75   2HB   GLN   9          1HB       GLN   9  -8.903 -13.012   1.826
   76   1HG   GLN   9          2HG       GLN   9  -9.228 -10.825   0.984
   77   2HG   GLN   9          1HG       GLN   9  -8.271 -11.166  -0.457
   78   1HE2  GLN   9          1HE2      GLN   9 -10.294 -10.264  -1.429
   79   2HE2  GLN   9          2HE2      GLN   9 -11.558 -11.380  -1.810
   80    H    GLU  10           H        GLU  10  -6.930 -13.766   3.639
   81    HA   GLU  10           HA       GLU  10  -7.872 -11.803   5.437
   82   1HB   GLU  10          2HB       GLU  10  -6.297 -14.287   6.139
   83   2HB   GLU  10          1HB       GLU  10  -7.384 -13.392   7.190
   84   1HG   GLU  10          2HG       GLU  10  -9.277 -14.027   5.789
   85   2HG   GLU  10          1HG       GLU  10  -8.190 -14.905   4.714
   86    H    ALA  11           H        ALA  11  -4.610 -13.075   4.795
   87    HA   ALA  11           HA       ALA  11  -3.281 -11.474   6.713
   88   1HB   ALA  11          1HB       ALA  11  -2.334 -13.524   5.646
   89   2HB   ALA  11          2HB       ALA  11  -1.244 -12.138   5.653
   90   3HB   ALA  11          3HB       ALA  11  -2.094 -12.581   4.174
   91    H    LEU  12           H        LEU  12  -4.163 -10.941   3.338
   92    HA   LEU  12           HA       LEU  12  -2.597  -8.666   2.847
   93   1HB   LEU  12          2HB       LEU  12  -5.274  -9.461   1.705
   94   2HB   LEU  12          1HB       LEU  12  -4.287  -8.151   1.086
   95    HG   LEU  12           HG       LEU  12  -3.048 -10.853   1.265
   96   1HD1  LEU  12          1HD1      LEU  12  -4.564 -11.833  -0.021
   97   2HD1  LEU  12          2HD1      LEU  12  -4.147 -10.690  -1.294
   98   3HD1  LEU  12          3HD1      LEU  12  -5.472 -10.332  -0.189
   99   1HD2  LEU  12          1HD2      LEU  12  -1.761 -10.103  -0.544
  100   2HD2  LEU  12          2HD2      LEU  12  -1.906  -8.710   0.528
  101   3HD2  LEU  12          3HD2      LEU  12  -2.897  -8.809  -0.927
  102    H    ASN  13           H        ASN  13  -5.944  -8.935   4.079
  103    HA   ASN  13           HA       ASN  13  -6.319  -6.130   4.280
  104   1HB   ASN  13          2HB       ASN  13  -8.366  -6.580   5.398
  105   2HB   ASN  13          1HB       ASN  13  -8.174  -7.841   4.190
  106   1HD2  ASN  13          1HD2      ASN  13  -8.730  -9.778   4.870
  107   2HD2  ASN  13          2HD2      ASN  13  -8.630 -10.355   6.495
  108    H    GLN  14           H        GLN  14  -4.999  -8.543   6.480
  109    HA   GLN  14           HA       GLN  14  -5.023  -6.964   8.828
  110   1HB   GLN  14          2HB       GLN  14  -3.995  -9.532   8.027
  111   2HB   GLN  14          1HB       GLN  14  -2.763  -8.663   8.931
  112   1HG   GLN  14          2HG       GLN  14  -4.038 -10.006  10.443
  113   2HG   GLN  14          1HG       GLN  14  -4.391  -8.307  10.748
  114   1HE2  GLN  14          1HE2      GLN  14  -5.602 -10.928   8.659
  115   2HE2  GLN  14          2HE2      GLN  14  -7.274 -10.610   8.954
  116    H    LEU  15           H        LEU  15  -2.695  -7.307   6.194
  117    HA   LEU  15           HA       LEU  15  -0.652  -5.719   7.387
  118   1HB   LEU  15          2HB       LEU  15  -0.041  -7.275   5.683
  119   2HB   LEU  15          1HB       LEU  15  -1.198  -6.596   4.554
  120    HG   LEU  15           HG       LEU  15   1.022  -4.857   5.541
  121   1HD1  LEU  15          1HD1      LEU  15   2.668  -5.835   4.355
  122   2HD1  LEU  15          2HD1      LEU  15   1.573  -6.426   3.107
  123   3HD1  LEU  15          3HD1      LEU  15   1.715  -7.291   4.638
  124   1HD2  LEU  15          1HD2      LEU  15  -0.735  -5.051   3.136
  125   2HD2  LEU  15          2HD2      LEU  15   0.828  -4.243   3.015
  126   3HD2  LEU  15          3HD2      LEU  15  -0.378  -3.661   4.161
  127    H    MET  16           H        MET  16  -3.275  -5.054   5.091
  128    HA   MET  16           HA       MET  16  -2.572  -2.368   4.561
  129   1HB   MET  16          2HB       MET  16  -4.424  -4.125   3.558
  130   2HB   MET  16          1HB       MET  16  -5.440  -2.983   4.427
  131   1HG   MET  16          2HG       MET  16  -5.375  -1.829   2.516
  132   2HG   MET  16          1HG       MET  16  -3.804  -1.288   3.104
  133   1HE   MET  16          1HE       MET  16  -1.317  -3.575   1.273
  134   2HE   MET  16          2HE       MET  16  -1.795  -3.055   2.889
  135   3HE   MET  16          3HE       MET  16  -1.459  -1.855   1.640
  136    H    ARG  17           H        ARG  17  -4.902  -3.786   6.865
  137    HA   ARG  17           HA       ARG  17  -5.790  -1.304   7.899
  138   1HB   ARG  17          2HB       ARG  17  -6.679  -2.642   9.799
  139   2HB   ARG  17          1HB       ARG  17  -7.160  -3.251   8.223
  140   1HG   ARG  17          2HG       ARG  17  -6.522  -5.244   8.974
  141   2HG   ARG  17          1HG       ARG  17  -4.871  -4.674   8.740
  142   1HD   ARG  17          2HD       ARG  17  -4.485  -4.786  10.924
  143   2HD   ARG  17          1HD       ARG  17  -5.847  -3.715  11.249
  144    HE   ARG  17           HE       ARG  17  -5.774  -6.564  11.553
  145   1HH1  ARG  17          1HH1      ARG  17  -7.891  -3.844  10.927
  146   2HH1  ARG  17          2HH1      ARG  17  -9.298  -4.637  11.548
  147   1HH2  ARG  17          1HH2      ARG  17  -7.637  -7.611  12.352
  148   2HH2  ARG  17          2HH2      ARG  17  -9.153  -6.774  12.360
  149    H    GLN  18           H        GLN  18  -3.184  -3.494   8.843
  150    HA   GLN  18           HA       GLN  18  -2.498  -2.245  11.270
  151   1HB   GLN  18          2HB       GLN  18  -1.702  -4.494  10.474
  152   2HB   GLN  18          1HB       GLN  18  -0.611  -3.659   9.378
  153   1HG   GLN  18          2HG       GLN  18   0.756  -2.932  11.070
  154   2HG   GLN  18          1HG       GLN  18  -0.521  -3.011  12.283
  155   1HE2  GLN  18          1HE2      GLN  18   1.170  -5.201  10.051
  156   2HE2  GLN  18          2HE2      GLN  18   1.386  -6.474  11.198
  157    H    LEU  19           H        LEU  19  -1.452  -1.676   7.931
  158    HA   LEU  19           HA       LEU  19   0.496   0.295   8.547
  159   1HB   LEU  19          2HB       LEU  19  -0.915  -0.619   6.087
  160   2HB   LEU  19          1HB       LEU  19  -0.096   0.930   6.037
  161    HG   LEU  19           HG       LEU  19   1.478  -1.350   7.087
  162   1HD1  LEU  19          1HD1      LEU  19   0.035  -1.838   4.820
  163   2HD1  LEU  19          2HD1      LEU  19   1.570  -2.601   5.236
  164   3HD1  LEU  19          3HD1      LEU  19   1.543  -1.197   4.169
  165   1HD2  LEU  19          1HD2      LEU  19   3.251  -0.126   6.381
  166   2HD2  LEU  19          2HD2      LEU  19   2.086   1.183   6.555
  167   3HD2  LEU  19          3HD2      LEU  19   2.408   0.497   4.964
  168    H    GLN  20           H        GLN  20  -2.945   0.456   7.721
  169    HA   GLN  20           HA       GLN  20  -3.092   3.274   7.514
  170   1HB   GLN  20          2HB       GLN  20  -5.081   1.071   7.826
  171   2HB   GLN  20          1HB       GLN  20  -5.609   2.723   8.116
  172   1HG   GLN  20          2HG       GLN  20  -4.595   3.252   5.830
  173   2HG   GLN  20          1HG       GLN  20  -4.564   1.507   5.586
  174   1HE2  GLN  20          1HE2      GLN  20  -6.334   0.568   4.821
  175   2HE2  GLN  20          2HE2      GLN  20  -7.896   1.298   4.722
  176    H    ARG  21           H        ARG  21  -3.441   1.046  10.225
  177    HA   ARG  21           HA       ARG  21  -4.496   2.854  12.100
  178   1HB   ARG  21          2HB       ARG  21  -2.993   0.274  12.301
  179   2HB   ARG  21          1HB       ARG  21  -3.295   1.215  13.755
  180   1HG   ARG  21          2HG       ARG  21  -5.771   1.189  12.768
  181   2HG   ARG  21          1HG       ARG  21  -5.170  -0.306  12.050
  182   1HD   ARG  21          2HD       ARG  21  -4.936  -1.348  14.071
  183   2HD   ARG  21          1HD       ARG  21  -4.634   0.157  14.937
  184    HE   ARG  21           HE       ARG  21  -6.883   0.357  15.315
  185   1HH1  ARG  21          1HH1      ARG  21  -6.390  -2.050  12.815
  186   2HH1  ARG  21          2HH1      ARG  21  -8.046  -2.554  12.804
  187   1HH2  ARG  21          1HH2      ARG  21  -9.066  -0.311  15.291
  188   2HH2  ARG  21          2HH2      ARG  21  -9.566  -1.566  14.207
  189    H    LYS  22           H        LYS  22  -1.325   2.652  10.769
  190    HA   LYS  22           HA       LYS  22   0.331   3.486  12.800
  191   1HB   LYS  22          2HB       LYS  22   0.319   4.001   9.848
  192   2HB   LYS  22          1HB       LYS  22   1.508   4.804  10.862
  193   1HG   LYS  22          2HG       LYS  22   1.548   2.104  11.614
  194   2HG   LYS  22          1HG       LYS  22   1.492   2.128   9.851
  195   1HD   LYS  22          2HD       LYS  22   3.762   2.230  10.264
  196   2HD   LYS  22          1HD       LYS  22   3.349   3.933  10.078
  197   1HE   LYS  22          2HE       LYS  22   4.464   4.161  12.024
  198   2HE   LYS  22          1HE       LYS  22   2.945   3.615  12.732
  199   1HZ   LYS  22          1HZ       LYS  22   5.241   2.470  13.287
  200   2HZ   LYS  22          2HZ       LYS  22   4.860   1.561  11.913
  201   3HZ   LYS  22          3HZ       LYS  22   3.798   1.588  13.229
  202    H    ASP  23           H        ASP  23  -0.833   5.817  10.367
  203    HA   ASP  23           HA       ASP  23  -2.234   7.627  11.726
  204   1HB   ASP  23          2HB       ASP  23   0.451   7.642  12.817
  205   2HB   ASP  23          1HB       ASP  23   0.020   9.216  12.161
  206    HA   PRO  24           HA       PRO  24   0.380  10.037   8.357
  207   1HB   PRO  24          2HB       PRO  24   1.958   7.804   7.243
  208   2HB   PRO  24          1HB       PRO  24   2.461   9.447   7.645
  209   1HG   PRO  24          2HG       PRO  24   3.208   7.358   9.143
  210   2HG   PRO  24          1HG       PRO  24   2.837   8.933   9.865
  211   1HD   PRO  24          2HD       PRO  24   1.166   6.461   9.768
  212   2HD   PRO  24          1HD       PRO  24   1.394   7.624  11.087
  213    H    SER  25           H        SER  25  -0.554   6.658   7.894
  214    HA   SER  25           HA       SER  25  -1.129   6.655   5.178
  215   1HB   SER  25          2HB       SER  25  -1.163   4.630   6.617
  216   2HB   SER  25          1HB       SER  25  -2.673   5.192   7.332
  217    HG   SER  25           HG       SER  25  -3.659   4.999   5.316
  218    H    ALA  26           H        ALA  26  -2.948   8.029   7.838
  219    HA   ALA  26           HA       ALA  26  -5.473   8.288   6.749
  220   1HB   ALA  26          1HB       ALA  26  -5.426   8.987   8.919
  221   2HB   ALA  26          2HB       ALA  26  -5.402  10.552   8.109
  222   3HB   ALA  26          3HB       ALA  26  -3.904   9.855   8.725
  223    H    PHE  27           H        PHE  27  -2.554  10.019   5.907
  224    HA   PHE  27           HA       PHE  27  -3.689  12.262   4.649
  225   1HB   PHE  27          2HB       PHE  27  -1.063  10.826   4.324
  226   2HB   PHE  27          1HB       PHE  27  -1.484  12.190   3.294
  227    HD1  PHE  27           2HD      PHE  27  -1.928  11.551   6.957
  228    HD2  PHE  27           1HD      PHE  27  -0.273  14.023   3.915
  229    HE1  PHE  27           2HE      PHE  27  -1.114  13.111   8.674
  230    HE2  PHE  27           1HE      PHE  27   0.544  15.587   5.626
  231    HZ   PHE  27           HZ       PHE  27   0.123  15.134   8.010
  232    H    PHE  28           H        PHE  28  -2.751   9.083   3.340
  233    HA   PHE  28           HA       PHE  28  -4.305   9.717   0.913
  234   1HB   PHE  28          2HB       PHE  28  -2.169   7.606   0.962
  235   2HB   PHE  28          1HB       PHE  28  -2.808   8.504  -0.409
  236    HD1  PHE  28           1HD      PHE  28  -2.354  11.087  -0.347
  237    HD2  PHE  28           2HD      PHE  28  -0.117   8.187   1.818
  238    HE1  PHE  28           1HE      PHE  28  -0.472  12.661  -0.191
  239    HE2  PHE  28           2HE      PHE  28   1.771   9.755   1.977
  240    HZ   PHE  28           HZ       PHE  28   1.594  11.996   0.972
  241    H    SER  29           H        SER  29  -5.240   8.519   3.473
  242    HA   SER  29           HA       SER  29  -5.688   5.734   3.031
  243   1HB   SER  29          2HB       SER  29  -7.056   5.805   5.001
  244   2HB   SER  29          1HB       SER  29  -5.672   6.857   5.285
  245    HG   SER  29           HG       SER  29  -6.992   8.482   5.475
  246    H    PHE  30           H        PHE  30  -7.087   8.510   1.694
  247    HA   PHE  30           HA       PHE  30  -9.446   6.987   0.831
  248   1HB   PHE  30          2HB       PHE  30 -10.259   9.547   0.494
  249   2HB   PHE  30          1HB       PHE  30 -10.583   8.612   1.946
  250    HD1  PHE  30           1HD      PHE  30  -8.533  11.269   0.470
  251    HD2  PHE  30           2HD      PHE  30  -9.493   9.129   4.022
  252    HE1  PHE  30           1HE      PHE  30  -7.358  12.967   1.807
  253    HE2  PHE  30           2HE      PHE  30  -8.321  10.826   5.363
  254    HZ   PHE  30           HZ       PHE  30  -7.252  12.748   4.256
  255    HA   PRO  31           HA       PRO  31  -8.233   7.679  -3.340
  256   1HB   PRO  31          2HB       PRO  31 -10.568   8.332  -4.589
  257   2HB   PRO  31          1HB       PRO  31 -10.173   6.691  -4.062
  258   1HG   PRO  31          2HG       PRO  31 -11.885   8.748  -2.725
  259   2HG   PRO  31          1HG       PRO  31 -12.169   7.008  -2.919
  260   1HD   PRO  31          2HD       PRO  31 -11.258   8.070  -0.610
  261   2HD   PRO  31          1HD       PRO  31 -10.772   6.456  -1.166
  262    H    VAL  32           H        VAL  32  -6.929   9.411  -3.591
  263    HA   VAL  32           HA       VAL  32  -7.496  12.045  -2.994
  264    HB   VAL  32           HB       VAL  32  -5.739  12.530  -4.905
  265   1HG1  VAL  32          1HG1      VAL  32  -3.975  12.167  -3.280
  266   2HG1  VAL  32          2HG1      VAL  32  -5.033  11.114  -2.339
  267   3HG1  VAL  32          3HG1      VAL  32  -5.411  12.831  -2.500
  268   1HG2  VAL  32          1HG2      VAL  32  -6.094   9.885  -5.370
  269   2HG2  VAL  32          2HG2      VAL  32  -4.689   9.866  -4.307
  270   3HG2  VAL  32          3HG2      VAL  32  -4.649  10.796  -5.806
  271    H    THR  33           H        THR  33  -8.183  13.829  -4.131
  272    HA   THR  33           HA       THR  33  -9.386  13.344  -6.767
  273    HB   THR  33           HB       THR  33 -10.840  15.259  -5.071
  274    HG1  THR  33           1HG      THR  33 -11.742  13.765  -3.727
  275   1HG2  THR  33          1HG2      THR  33 -12.711  14.493  -6.124
  276   2HG2  THR  33          2HG2      THR  33 -12.076  12.858  -6.308
  277   3HG2  THR  33          3HG2      THR  33 -11.489  14.153  -7.350
  278    H    ASP  34           H        ASP  34 -10.416  15.918  -7.163
  279    HA   ASP  34           HA       ASP  34  -8.029  17.333  -7.856
  280   1HB   ASP  34          2HB       ASP  34 -10.595  17.212  -8.857
  281   2HB   ASP  34          1HB       ASP  34 -10.538  18.808  -8.119
  282    H    PHE  35           H        PHE  35  -9.657  17.170  -4.966
  283    HA   PHE  35           HA       PHE  35  -8.739  19.858  -4.195
  284   1HB   PHE  35          2HB       PHE  35 -11.116  20.017  -4.229
  285   2HB   PHE  35          1HB       PHE  35 -11.304  18.447  -3.458
  286    HD1  PHE  35           2HD      PHE  35 -10.679  18.189  -1.047
  287    HD2  PHE  35           1HD      PHE  35 -10.898  21.983  -2.961
  288    HE1  PHE  35           2HE      PHE  35 -10.812  19.288   1.152
  289    HE2  PHE  35           1HE      PHE  35 -11.030  23.088  -0.768
  290    HZ   PHE  35           HZ       PHE  35 -10.987  21.741   1.293
  291    H    ILE  36           H        ILE  36  -9.514  16.567  -3.139
  292    HA   ILE  36           HA       ILE  36  -8.408  16.718  -0.568
  293    HB   ILE  36           HB       ILE  36  -8.878  14.390  -2.427
  294   1HG1  ILE  36          2HG1      ILE  36 -10.289  15.193   0.125
  295   2HG1  ILE  36          1HG1      ILE  36 -10.831  15.659  -1.484
  296   1HG2  ILE  36          1HG2      ILE  36  -7.359  13.324  -1.164
  297   2HG2  ILE  36          2HG2      ILE  36  -8.693  13.219  -0.016
  298   3HG2  ILE  36          3HG2      ILE  36  -7.477  14.484   0.156
  299   1HD1  ILE  36          1HD1      ILE  36 -12.099  13.828  -1.317
  300   2HD1  ILE  36          2HD1      ILE  36 -11.077  13.106  -0.076
  301   3HD1  ILE  36          3HD1      ILE  36 -10.623  12.980  -1.776
  302    H    ALA  37           H        ALA  37  -6.978  16.181  -3.718
  303    HA   ALA  37           HA       ALA  37  -4.330  15.840  -2.465
  304   1HB   ALA  37          1HB       ALA  37  -5.559  14.180  -4.269
  305   2HB   ALA  37          2HB       ALA  37  -3.826  14.254  -3.960
  306   3HB   ALA  37          3HB       ALA  37  -4.523  15.166  -5.298
  307    HA   PRO  38           HA       PRO  38  -3.032  19.600  -4.351
  308   1HB   PRO  38          2HB       PRO  38  -0.370  18.670  -4.892
  309   2HB   PRO  38          1HB       PRO  38  -0.912  19.713  -3.578
  310   1HG   PRO  38          2HG       PRO  38  -0.010  17.124  -3.273
  311   2HG   PRO  38          1HG       PRO  38  -1.028  17.986  -2.111
  312   1HD   PRO  38          2HD       PRO  38  -1.767  15.909  -4.105
  313   2HD   PRO  38          1HD       PRO  38  -2.450  16.233  -2.502
  314    H    GLY  39           H        GLY  39  -3.401  16.943  -6.110
  315   1HA   GLY  39          2HA       GLY  39  -4.067  17.612  -8.484
  316   2HA   GLY  39          1HA       GLY  39  -2.390  18.116  -8.609
  317    H    TYR  40           H        TYR  40  -3.514  15.232  -6.907
  318    HA   TYR  40           HA       TYR  40  -1.634  13.533  -8.086
  319   1HB   TYR  40          2HB       TYR  40  -4.169  13.079  -6.553
  320   2HB   TYR  40          1HB       TYR  40  -3.390  11.710  -7.338
  321    HD1  TYR  40           2HD      TYR  40  -1.979  14.658  -5.528
  322    HD2  TYR  40           1HD      TYR  40  -2.371  10.415  -5.683
  323    HE1  TYR  40           2HE      TYR  40  -0.463  14.451  -3.611
  324    HE2  TYR  40           1HE      TYR  40  -0.856  10.209  -3.765
  325    HH   TYR  40           HH       TYR  40   1.033  12.790  -2.616
  326    H    SER  41           H        SER  41  -5.121  13.842  -8.798
  327    HA   SER  41           HA       SER  41  -5.091  12.048 -10.990
  328   1HB   SER  41          2HB       SER  41  -7.027  14.271 -10.302
  329   2HB   SER  41          1HB       SER  41  -7.299  13.062 -11.558
  330    HG   SER  41           HG       SER  41  -7.234  12.748  -8.767
  331    H    MET  42           H        MET  42  -4.242  15.412 -10.718
  332    HA   MET  42           HA       MET  42  -4.474  15.985 -13.523
  333   1HB   MET  42          2HB       MET  42  -4.611  17.591 -11.455
  334   2HB   MET  42          1HB       MET  42  -2.866  17.667 -11.648
  335   1HG   MET  42          2HG       MET  42  -3.514  18.169 -14.153
  336   2HG   MET  42          1HG       MET  42  -5.020  18.698 -13.407
  337   1HE   MET  42          1HE       MET  42  -1.008  19.975 -13.730
  338   2HE   MET  42          2HE       MET  42  -1.942  21.285 -14.452
  339   3HE   MET  42          3HE       MET  42  -2.245  19.615 -14.934
  340    H    ILE  43           H        ILE  43  -1.891  14.852 -11.421
  341    HA   ILE  43           HA       ILE  43  -0.023  15.084 -13.691
  342    HB   ILE  43           HB       ILE  43   0.552  16.363 -11.594
  343   1HG1  ILE  43          2HG1      ILE  43   2.916  14.853 -11.643
  344   2HG1  ILE  43          1HG1      ILE  43   2.201  14.645 -13.239
  345   1HG2  ILE  43          1HG2      ILE  43   1.136  13.620 -10.490
  346   2HG2  ILE  43          2HG2      ILE  43  -0.186  14.666  -9.976
  347   3HG2  ILE  43          3HG2      ILE  43   1.483  15.163  -9.711
  348   1HD1  ILE  43          1HD1      ILE  43   2.891  16.651 -13.847
  349   2HD1  ILE  43          2HD1      ILE  43   3.719  16.797 -12.296
  350   3HD1  ILE  43          3HD1      ILE  43   2.070  17.399 -12.476
  351    H    ILE  44           H        ILE  44  -1.047  12.943 -11.054
  352    HA   ILE  44           HA       ILE  44   0.284  10.729 -12.425
  353    HB   ILE  44           HB       ILE  44   0.297  11.496  -9.675
  354   1HG1  ILE  44          2HG1      ILE  44   1.746   9.217  -9.808
  355   2HG1  ILE  44          1HG1      ILE  44   1.646   9.624 -11.513
  356   1HG2  ILE  44          1HG2      ILE  44  -1.588  10.120  -9.207
  357   2HG2  ILE  44          2HG2      ILE  44  -0.152   9.257  -8.662
  358   3HG2  ILE  44          3HG2      ILE  44  -0.936   8.796 -10.172
  359   1HD1  ILE  44          1HD1      ILE  44   3.647  10.539 -10.560
  360   2HD1  ILE  44          2HD1      ILE  44   2.714  11.362  -9.310
  361   3HD1  ILE  44          3HD1      ILE  44   2.549  11.847 -10.999
  362    H    LYS  45           H        LYS  45  -1.107   9.888 -13.742
  363    HA   LYS  45           HA       LYS  45  -3.878   9.846 -13.568
  364   1HB   LYS  45          2HB       LYS  45  -1.857   8.722 -15.271
  365   2HB   LYS  45          1HB       LYS  45  -3.117   7.529 -14.987
  366   1HG   LYS  45          2HG       LYS  45  -4.807   9.144 -15.729
  367   2HG   LYS  45          1HG       LYS  45  -3.533  10.325 -16.036
  368   1HD   LYS  45          2HD       LYS  45  -3.102   7.724 -17.321
  369   2HD   LYS  45          1HD       LYS  45  -4.541   8.577 -17.881
  370   1HE   LYS  45          2HE       LYS  45  -2.220  10.320 -17.646
  371   2HE   LYS  45          1HE       LYS  45  -1.952   8.979 -18.760
  372   1HZ   LYS  45          1HZ       LYS  45  -2.880  10.957 -19.849
  373   2HZ   LYS  45          2HZ       LYS  45  -4.264  10.843 -18.884
  374   3HZ   LYS  45          3HZ       LYS  45  -3.903   9.616 -19.992
  375    H    HIS  46           H        HIS  46  -1.570   7.313 -12.545
  376    HA   HIS  46           HA       HIS  46  -3.814   6.007 -11.153
  377   1HB   HIS  46          2HB       HIS  46  -2.124   4.941 -13.107
  378   2HB   HIS  46          1HB       HIS  46  -1.553   4.252 -11.592
  379    HD1  HIS  46           1HD      HIS  46  -4.465   4.099 -10.283
  380    HD2  HIS  46           2HD      HIS  46  -3.331   2.616 -13.997
  381    HE1  HIS  46           1HE      HIS  46  -6.122   2.287 -10.817
  382    HE2  HIS  46           2HE      HIS  46  -5.375   1.356 -13.036
  383    HA   PRO  47           HA       PRO  47  -0.839   7.188  -7.813
  384   1HB   PRO  47          2HB       PRO  47  -2.684   8.162  -6.097
  385   2HB   PRO  47          1HB       PRO  47  -1.989   9.138  -7.395
  386   1HG   PRO  47          2HG       PRO  47  -4.648   7.802  -7.238
  387   2HG   PRO  47          1HG       PRO  47  -4.213   9.360  -7.960
  388   1HD   PRO  47          2HD       PRO  47  -4.611   7.018  -9.377
  389   2HD   PRO  47          1HD       PRO  47  -3.677   8.408  -9.958
  390    H    MET  48           H        MET  48  -4.050   5.689  -7.512
  391    HA   MET  48           HA       MET  48  -4.869   3.951  -6.309
  392   1HB   MET  48          2HB       MET  48  -1.994   3.103  -6.621
  393   2HB   MET  48          1HB       MET  48  -3.212   2.066  -5.891
  394   1HG   MET  48          2HG       MET  48  -4.036   3.170  -8.456
  395   2HG   MET  48          1HG       MET  48  -2.576   2.190  -8.559
  396   1HE   MET  48          1HE       MET  48  -6.417   0.573  -6.599
  397   2HE   MET  48          2HE       MET  48  -5.947   2.271  -6.672
  398   3HE   MET  48          3HE       MET  48  -5.056   1.152  -5.639
  399    H    ASP  49           H        ASP  49  -5.444   5.158  -4.495
  400    HA   ASP  49           HA       ASP  49  -3.649   5.545  -2.284
  401   1HB   ASP  49          2HB       ASP  49  -6.652   5.860  -2.481
  402   2HB   ASP  49          1HB       ASP  49  -5.681   6.343  -1.094
  403    H    PHE  50           H        PHE  50  -4.455   4.819  -0.031
  404    HA   PHE  50           HA       PHE  50  -4.262   2.021   0.128
  405   1HB   PHE  50          2HB       PHE  50  -5.159   4.035   2.193
  406   2HB   PHE  50          1HB       PHE  50  -4.887   2.330   2.541
  407    HD1  PHE  50           2HD      PHE  50  -3.231   5.430   1.401
  408    HD2  PHE  50           1HD      PHE  50  -2.730   1.501   2.947
  409    HE1  PHE  50           2HE      PHE  50  -0.855   5.897   1.790
  410    HE2  PHE  50           1HE      PHE  50  -0.346   1.960   3.341
  411    HZ   PHE  50           HZ       PHE  50   0.595   4.161   2.761
  412    H    SER  51           H        SER  51  -7.064   4.149   0.057
  413    HA   SER  51           HA       SER  51  -8.977   2.208   0.894
  414   1HB   SER  51          2HB       SER  51 -10.456   3.947  -0.562
  415   2HB   SER  51          1HB       SER  51  -9.951   4.260   1.098
  416    HG   SER  51           HG       SER  51  -8.803   5.211  -1.307
  417    H    THR  52           H        THR  52  -7.858   3.352  -2.269
  418    HA   THR  52           HA       THR  52  -9.681   1.872  -3.829
  419    HB   THR  52           HB       THR  52  -6.915   2.552  -4.787
  420    HG1  THR  52           1HG      THR  52  -7.333   4.486  -4.017
  421   1HG2  THR  52          1HG2      THR  52  -9.634   2.530  -6.054
  422   2HG2  THR  52          2HG2      THR  52  -8.225   1.556  -6.473
  423   3HG2  THR  52          3HG2      THR  52  -8.227   3.290  -6.799
  424    H    MET  53           H        MET  53  -6.387   1.129  -2.704
  425    HA   MET  53           HA       MET  53  -6.209  -1.364  -4.050
  426   1HB   MET  53          2HB       MET  53  -4.268  -1.800  -2.605
  427   2HB   MET  53          1HB       MET  53  -4.198  -0.207  -3.340
  428   1HG   MET  53          2HG       MET  53  -5.064   0.741  -1.209
  429   2HG   MET  53          1HG       MET  53  -4.924  -0.864  -0.495
  430   1HE   MET  53          1HE       MET  53  -1.340  -1.694  -0.395
  431   2HE   MET  53          2HE       MET  53  -1.608  -1.502  -2.127
  432   3HE   MET  53          3HE       MET  53  -2.856  -2.236  -1.118
  433    H    LYS  54           H        LYS  54  -7.215  -0.458  -0.763
  434    HA   LYS  54           HA       LYS  54  -7.461  -3.037   0.300
  435   1HB   LYS  54          2HB       LYS  54  -7.832  -0.534   1.282
  436   2HB   LYS  54          1HB       LYS  54  -9.498  -1.077   1.151
  437   1HG   LYS  54          2HG       LYS  54  -8.885  -3.086   2.478
  438   2HG   LYS  54          1HG       LYS  54  -7.280  -2.388   2.705
  439   1HD   LYS  54          2HD       LYS  54  -8.006  -0.906   4.238
  440   2HD   LYS  54          1HD       LYS  54  -9.502  -0.580   3.359
  441   1HE   LYS  54          2HE       LYS  54  -8.995  -3.077   4.971
  442   2HE   LYS  54          1HE       LYS  54  -9.818  -1.650   5.597
  443   1HZ   LYS  54          1HZ       LYS  54 -11.097  -3.683   4.481
  444   2HZ   LYS  54          2HZ       LYS  54 -10.847  -2.741   3.099
  445   3HZ   LYS  54          3HZ       LYS  54 -11.679  -2.097   4.423
  446    H    GLU  55           H        GLU  55  -9.814  -1.047  -1.468
  447    HA   GLU  55           HA       GLU  55 -11.990  -2.832  -1.276
  448   1HB   GLU  55          2HB       GLU  55 -12.177  -0.452  -1.954
  449   2HB   GLU  55          1HB       GLU  55 -11.385  -0.844  -3.474
  450   1HG   GLU  55          2HG       GLU  55 -13.368  -2.595  -3.625
  451   2HG   GLU  55          1HG       GLU  55 -14.143  -1.424  -2.562
  452    H    LYS  56           H        LYS  56  -9.342  -2.531  -3.585
  453    HA   LYS  56           HA       LYS  56 -10.268  -4.414  -5.475
  454   1HB   LYS  56          2HB       LYS  56  -7.711  -3.044  -4.879
  455   2HB   LYS  56          1HB       LYS  56  -7.593  -4.549  -5.782
  456   1HG   LYS  56          2HG       LYS  56  -9.435  -3.484  -7.278
  457   2HG   LYS  56          1HG       LYS  56  -8.878  -1.971  -6.557
  458   1HD   LYS  56          2HD       LYS  56  -6.720  -2.218  -7.438
  459   2HD   LYS  56          1HD       LYS  56  -6.963  -3.933  -7.777
  460   1HE   LYS  56          2HE       LYS  56  -8.235  -3.516  -9.660
  461   2HE   LYS  56          1HE       LYS  56  -8.678  -1.894  -9.128
  462   1HZ   LYS  56          1HZ       LYS  56  -7.142  -1.581 -10.841
  463   2HZ   LYS  56          2HZ       LYS  56  -6.113  -2.805 -10.291
  464   3HZ   LYS  56          3HZ       LYS  56  -6.230  -1.352  -9.433
  465    H    ILE  57           H        ILE  57  -8.148  -4.734  -2.627
  466    HA   ILE  57           HA       ILE  57  -7.443  -7.419  -3.004
  467    HB   ILE  57           HB       ILE  57  -7.851  -6.057  -0.339
  468   1HG1  ILE  57          2HG1      ILE  57  -5.141  -6.359  -1.515
  469   2HG1  ILE  57          1HG1      ILE  57  -6.175  -5.137  -2.245
  470   1HG2  ILE  57          1HG2      ILE  57  -7.503  -8.174   0.353
  471   2HG2  ILE  57          2HG2      ILE  57  -5.815  -7.796   0.010
  472   3HG2  ILE  57          3HG2      ILE  57  -6.782  -8.668  -1.180
  473   1HD1  ILE  57          1HD1      ILE  57  -4.700  -5.050   0.208
  474   2HD1  ILE  57          2HD1      ILE  57  -6.414  -4.770   0.513
  475   3HD1  ILE  57          3HD1      ILE  57  -5.547  -3.754  -0.639
  476    H    LYS  58           H        LYS  58 -10.285  -5.978  -1.454
  477    HA   LYS  58           HA       LYS  58 -11.378  -8.309  -0.349
  478   1HB   LYS  58          2HB       LYS  58 -12.097  -5.663  -0.426
  479   2HB   LYS  58          1HB       LYS  58 -13.343  -6.404  -1.421
  480   1HG   LYS  58          2HG       LYS  58 -14.417  -7.051   0.396
  481   2HG   LYS  58          1HG       LYS  58 -13.021  -8.008   0.894
  482   1HD   LYS  58          2HD       LYS  58 -12.063  -5.815   1.796
  483   2HD   LYS  58          1HD       LYS  58 -13.694  -5.166   1.603
  484   1HE   LYS  58          2HE       LYS  58 -13.445  -7.755   3.019
  485   2HE   LYS  58          1HE       LYS  58 -12.830  -6.331   3.859
  486   1HZ   LYS  58          1HZ       LYS  58 -14.915  -5.370   3.934
  487   2HZ   LYS  58          2HZ       LYS  58 -15.278  -7.005   4.172
  488   3HZ   LYS  58          3HZ       LYS  58 -15.523  -6.298   2.655
  489    H    ASN  59           H        ASN  59 -11.195  -7.274  -3.663
  490    HA   ASN  59           HA       ASN  59 -13.158  -9.301  -4.483
  491   1HB   ASN  59          2HB       ASN  59 -12.111  -6.789  -5.700
  492   2HB   ASN  59          1HB       ASN  59 -12.614  -8.080  -6.785
  493   1HD2  ASN  59          1HD2      ASN  59 -13.637  -5.584  -4.682
  494   2HD2  ASN  59          2HD2      ASN  59 -15.338  -5.814  -4.874
  495    H    ASN  60           H        ASN  60 -10.247  -9.717  -3.620
  496    HA   ASN  60           HA       ASN  60  -8.507 -11.061  -4.173
  497   1HB   ASN  60          2HB       ASN  60 -10.769 -12.276  -5.294
  498   2HB   ASN  60          1HB       ASN  60  -9.554 -12.309  -6.569
  499   1HD2  ASN  60          1HD2      ASN  60  -9.377 -12.609  -3.035
  500   2HD2  ASN  60          2HD2      ASN  60  -8.551 -14.126  -3.039
  501    H    ASP  61           H        ASP  61  -8.962  -8.398  -5.549
  502    HA   ASP  61           HA       ASP  61  -7.794  -8.605  -8.143
  503   1HB   ASP  61          2HB       ASP  61  -8.198  -6.304  -6.237
  504   2HB   ASP  61          1HB       ASP  61  -7.416  -6.097  -7.796
  505    H    TYR  62           H        TYR  62  -6.569  -8.268  -4.890
  506    HA   TYR  62           HA       TYR  62  -3.832  -8.433  -5.946
  507   1HB   TYR  62          2HB       TYR  62  -4.753  -6.858  -3.531
  508   2HB   TYR  62          1HB       TYR  62  -3.073  -7.091  -4.004
  509    HD1  TYR  62           1HD      TYR  62  -2.756  -6.515  -6.683
  510    HD2  TYR  62           2HD      TYR  62  -5.594  -4.782  -4.026
  511    HE1  TYR  62           1HE      TYR  62  -2.909  -4.541  -8.136
  512    HE2  TYR  62           2HE      TYR  62  -5.745  -2.802  -5.469
  513    HH   TYR  62           HH       TYR  62  -4.423  -2.707  -8.613
  514    H    GLN  63           H        GLN  63  -3.155 -10.404  -5.532
  515    HA   GLN  63           HA       GLN  63  -3.412 -11.474  -2.832
  516   1HB   GLN  63          2HB       GLN  63  -4.082 -13.646  -3.616
  517   2HB   GLN  63          1HB       GLN  63  -5.200 -12.460  -4.276
  518   1HG   GLN  63          2HG       GLN  63  -4.032 -12.531  -6.413
  519   2HG   GLN  63          1HG       GLN  63  -2.888 -13.700  -5.757
  520   1HE2  GLN  63          1HE2      GLN  63  -3.481 -15.822  -5.562
  521   2HE2  GLN  63          2HE2      GLN  63  -4.964 -16.450  -6.185
  522    H    SER  64           H        SER  64  -1.345 -10.300  -4.787
  523    HA   SER  64           HA       SER  64   0.686 -12.344  -4.295
  524   1HB   SER  64          2HB       SER  64   0.152 -12.453  -6.668
  525   2HB   SER  64          1HB       SER  64   0.373 -10.711  -6.825
  526    HG   SER  64           HG       SER  64   2.344 -12.658  -6.215
  527    H    ILE  65           H        ILE  65   2.540 -11.628  -3.552
  528    HA   ILE  65           HA       ILE  65   2.762  -9.195  -2.236
  529    HB   ILE  65           HB       ILE  65   5.264  -9.719  -2.212
  530   1HG1  ILE  65          2HG1      ILE  65   4.372 -12.389  -3.290
  531   2HG1  ILE  65          1HG1      ILE  65   5.098 -11.156  -4.315
  532   1HG2  ILE  65          1HG2      ILE  65   3.728 -10.260  -0.390
  533   2HG2  ILE  65          2HG2      ILE  65   4.978 -11.492  -0.574
  534   3HG2  ILE  65          3HG2      ILE  65   3.346 -11.792  -1.175
  535   1HD1  ILE  65          1HD1      ILE  65   6.324 -12.813  -2.179
  536   2HD1  ILE  65          2HD1      ILE  65   6.990 -11.213  -2.513
  537   3HD1  ILE  65          3HD1      ILE  65   6.920 -12.425  -3.793
  538    H    GLU  66           H        GLU  66   3.868 -10.145  -5.459
  539    HA   GLU  66           HA       GLU  66   5.325  -7.759  -5.986
  540   1HB   GLU  66          2HB       GLU  66   5.058 -10.203  -7.233
  541   2HB   GLU  66          1HB       GLU  66   4.211  -9.122  -8.330
  542   1HG   GLU  66          2HG       GLU  66   7.020  -8.689  -7.341
  543   2HG   GLU  66          1HG       GLU  66   6.598  -9.437  -8.881
  544    H    GLU  67           H        GLU  67   1.998  -8.794  -6.607
  545    HA   GLU  67           HA       GLU  67   1.260  -6.540  -8.179
  546   1HB   GLU  67          2HB       GLU  67  -0.278  -8.639  -6.664
  547   2HB   GLU  67          1HB       GLU  67  -1.103  -7.304  -7.459
  548   1HG   GLU  67          2HG       GLU  67   0.481  -8.191  -9.465
  549   2HG   GLU  67          1HG       GLU  67   0.174  -9.690  -8.590
  550    H    LEU  68           H        LEU  68   0.777  -7.383  -4.767
  551    HA   LEU  68           HA       LEU  68  -0.591  -5.041  -4.012
  552   1HB   LEU  68          2HB       LEU  68  -0.255  -7.305  -2.786
  553   2HB   LEU  68          1HB       LEU  68   1.207  -6.566  -2.162
  554    HG   LEU  68           HG       LEU  68  -0.058  -4.846  -1.051
  555   1HD1  LEU  68          1HD1      LEU  68  -1.828  -4.394  -2.559
  556   2HD1  LEU  68          2HD1      LEU  68  -2.577  -4.986  -1.076
  557   3HD1  LEU  68          3HD1      LEU  68  -2.419  -6.052  -2.472
  558   1HD2  LEU  68          1HD2      LEU  68  -0.022  -6.456   0.508
  559   2HD2  LEU  68          2HD2      LEU  68  -0.581  -7.694  -0.617
  560   3HD2  LEU  68          3HD2      LEU  68  -1.742  -6.609   0.151
  561    H    LYS  69           H        LYS  69   2.842  -5.848  -4.109
  562    HA   LYS  69           HA       LYS  69   3.731  -3.470  -2.809
  563   1HB   LYS  69          2HB       LYS  69   5.046  -5.599  -2.949
  564   2HB   LYS  69          1HB       LYS  69   5.313  -5.266  -4.654
  565   1HG   LYS  69          2HG       LYS  69   6.056  -2.953  -3.184
  566   2HG   LYS  69          1HG       LYS  69   6.796  -4.358  -2.414
  567   1HD   LYS  69          2HD       LYS  69   6.920  -4.085  -5.386
  568   2HD   LYS  69          1HD       LYS  69   8.004  -3.118  -4.386
  569   1HE   LYS  69          2HE       LYS  69   7.846  -5.966  -3.664
  570   2HE   LYS  69          1HE       LYS  69   8.535  -5.638  -5.253
  571   1HZ   LYS  69          1HZ       LYS  69   9.469  -4.481  -2.679
  572   2HZ   LYS  69          2HZ       LYS  69  10.117  -4.126  -4.200
  573   3HZ   LYS  69          3HZ       LYS  69  10.253  -5.689  -3.570
  574    H    ASP  70           H        ASP  70   3.358  -4.438  -6.202
  575    HA   ASP  70           HA       ASP  70   4.617  -2.250  -7.396
  576   1HB   ASP  70          2HB       ASP  70   3.689  -4.413  -8.477
  577   2HB   ASP  70          1HB       ASP  70   2.171  -3.528  -8.597
  578    H    ASN  71           H        ASN  71   1.211  -2.666  -6.455
  579    HA   ASN  71           HA       ASN  71   0.439  -0.079  -7.380
  580   1HB   ASN  71          2HB       ASN  71  -0.956  -2.058  -5.572
  581   2HB   ASN  71          1HB       ASN  71  -1.688  -0.561  -6.142
  582   1HD2  ASN  71          1HD2      ASN  71  -2.230  -0.351  -8.318
  583   2HD2  ASN  71          2HD2      ASN  71  -2.333  -1.715  -9.372
  584    H    PHE  72           H        PHE  72   1.118  -1.409  -4.129
  585    HA   PHE  72           HA       PHE  72   0.552   0.937  -2.691
  586   1HB   PHE  72          2HB       PHE  72   0.841  -1.189  -1.543
  587   2HB   PHE  72          1HB       PHE  72   2.517  -1.285  -2.072
  588    HD1  PHE  72           1HD      PHE  72   0.672   1.625  -0.669
  589    HD2  PHE  72           2HD      PHE  72   3.744  -1.268  -0.097
  590    HE1  PHE  72           1HE      PHE  72   1.390   2.793   1.370
  591    HE2  PHE  72           2HE      PHE  72   4.464  -0.100   1.946
  592    HZ   PHE  72           HZ       PHE  72   3.285   1.932   2.681
  593    H    LYS  73           H        LYS  73   3.574  -0.255  -4.117
  594    HA   LYS  73           HA       LYS  73   5.229   1.864  -3.306
  595   1HB   LYS  73          2HB       LYS  73   5.879  -0.404  -4.335
  596   2HB   LYS  73          1HB       LYS  73   5.586   0.361  -5.891
  597   1HG   LYS  73          2HG       LYS  73   7.485   1.558  -5.806
  598   2HG   LYS  73          1HG       LYS  73   7.347   1.860  -4.074
  599   1HD   LYS  73          2HD       LYS  73   8.058  -0.485  -3.663
  600   2HD   LYS  73          1HD       LYS  73   8.309  -0.676  -5.399
  601   1HE   LYS  73          2HE       LYS  73  10.437  -0.162  -4.649
  602   2HE   LYS  73          1HE       LYS  73   9.827   1.411  -5.160
  603   1HZ   LYS  73          1HZ       LYS  73   9.774   2.175  -3.054
  604   2HZ   LYS  73          2HZ       LYS  73  10.955   0.992  -2.800
  605   3HZ   LYS  73          3HZ       LYS  73   9.345   0.683  -2.381
  606    H    LEU  74           H        LEU  74   3.055   1.495  -6.064
  607    HA   LEU  74           HA       LEU  74   3.923   3.672  -7.597
  608   1HB   LEU  74          2HB       LEU  74   1.469   2.038  -7.425
  609   2HB   LEU  74          1HB       LEU  74   1.259   3.638  -8.118
  610    HG   LEU  74           HG       LEU  74   3.466   1.911  -9.151
  611   1HD1  LEU  74          1HD1      LEU  74   0.570   1.371  -9.425
  612   2HD1  LEU  74          2HD1      LEU  74   1.946   0.270  -9.493
  613   3HD1  LEU  74          3HD1      LEU  74   1.547   1.268 -10.890
  614   1HD2  LEU  74          1HD2      LEU  74   3.368   3.257 -10.994
  615   2HD2  LEU  74          2HD2      LEU  74   2.812   4.390  -9.762
  616   3HD2  LEU  74          3HD2      LEU  74   1.645   3.580 -10.807
  617    H    MET  75           H        MET  75   1.488   3.528  -4.983
  618    HA   MET  75           HA       MET  75   0.727   6.248  -5.200
  619   1HB   MET  75          2HB       MET  75  -0.431   4.293  -3.927
  620   2HB   MET  75          1HB       MET  75   0.609   4.774  -2.595
  621   1HG   MET  75          2HG       MET  75  -1.136   6.764  -4.006
  622   2HG   MET  75          1HG       MET  75  -1.756   5.748  -2.704
  623   1HE   MET  75          1HE       MET  75   0.338   6.763   0.338
  624   2HE   MET  75          2HE       MET  75   1.324   5.884  -0.829
  625   3HE   MET  75          3HE       MET  75  -0.350   5.406  -0.554
  626    H    CYS  76           H        CYS  76   3.094   4.615  -3.092
  627    HA   CYS  76           HA       CYS  76   3.851   6.933  -1.679
  628   1HB   CYS  76          2HB       CYS  76   5.503   5.640  -0.698
  629   2HB   CYS  76          1HB       CYS  76   4.325   4.424  -1.168
  630    HG   CYS  76           HG       CYS  76   5.922   3.908  -3.243
  631    H    THR  77           H        THR  77   5.103   5.439  -4.645
  632    HA   THR  77           HA       THR  77   7.267   7.281  -4.948
  633    HB   THR  77           HB       THR  77   5.959   5.495  -7.013
  634    HG1  THR  77           1HG      THR  77   7.071   3.950  -6.156
  635   1HG2  THR  77          1HG2      THR  77   7.944   5.683  -8.305
  636   2HG2  THR  77          2HG2      THR  77   8.732   6.649  -7.058
  637   3HG2  THR  77          3HG2      THR  77   7.372   7.315  -7.961
  638    H    ASN  78           H        ASN  78   3.967   7.097  -6.238
  639    HA   ASN  78           HA       ASN  78   4.215   9.324  -7.988
  640   1HB   ASN  78          2HB       ASN  78   1.810   7.928  -6.797
  641   2HB   ASN  78          1HB       ASN  78   1.689   9.236  -7.959
  642   1HD2  ASN  78          1HD2      ASN  78   0.475   7.433  -9.081
  643   2HD2  ASN  78          2HD2      ASN  78   1.386   6.392 -10.104
  644    H    ALA  79           H        ALA  79   3.178   8.907  -4.641
  645    HA   ALA  79           HA       ALA  79   2.252  11.592  -4.307
  646   1HB   ALA  79          1HB       ALA  79   2.933   9.440  -2.309
  647   2HB   ALA  79          2HB       ALA  79   1.332   9.893  -2.897
  648   3HB   ALA  79          3HB       ALA  79   2.249  11.008  -1.882
  649    H    MET  80           H        MET  80   5.265   9.870  -3.485
  650    HA   MET  80           HA       MET  80   6.468  12.057  -2.143
  651   1HB   MET  80          2HB       MET  80   8.537  10.815  -2.268
  652   2HB   MET  80          1HB       MET  80   7.221   9.724  -1.863
  653   1HG   MET  80          2HG       MET  80   8.234   8.450  -3.419
  654   2HG   MET  80          1HG       MET  80   7.214   9.394  -4.499
  655   1HE   MET  80          1HE       MET  80  10.632   7.974  -5.079
  656   2HE   MET  80          2HE       MET  80  10.367   8.247  -3.355
  657   3HE   MET  80          3HE       MET  80  11.646   9.118  -4.202
  658    H    ILE  81           H        ILE  81   6.398  11.081  -5.538
  659    HA   ILE  81           HA       ILE  81   8.414  12.911  -6.378
  660    HB   ILE  81           HB       ILE  81   7.789  10.922  -7.715
  661   1HG1  ILE  81          2HG1      ILE  81   7.714  12.146  -9.944
  662   2HG1  ILE  81          1HG1      ILE  81   7.611  13.640  -9.018
  663   1HG2  ILE  81          1HG2      ILE  81   5.256  12.468  -8.217
  664   2HG2  ILE  81          2HG2      ILE  81   5.422  10.871  -7.494
  665   3HG2  ILE  81          3HG2      ILE  81   5.788  11.106  -9.201
  666   1HD1  ILE  81          1HD1      ILE  81   9.779  12.152  -7.986
  667   2HD1  ILE  81          2HD1      ILE  81   9.812  13.676  -8.871
  668   3HD1  ILE  81          3HD1      ILE  81   9.909  12.146  -9.745
  669    H    TYR  82           H        TYR  82   4.872  13.092  -6.141
  670    HA   TYR  82           HA       TYR  82   4.972  15.855  -7.118
  671   1HB   TYR  82          2HB       TYR  82   3.234  14.101  -7.920
  672   2HB   TYR  82          1HB       TYR  82   2.433  14.417  -6.384
  673    HD1  TYR  82           1HD      TYR  82   4.180  16.779  -8.688
  674    HD2  TYR  82           2HD      TYR  82   0.489  15.587  -6.933
  675    HE1  TYR  82           1HE      TYR  82   3.083  18.748  -9.667
  676    HE2  TYR  82           2HE      TYR  82  -0.616  17.549  -7.913
  677    HH   TYR  82           HH       TYR  82   0.609  19.333 -10.354
  678    H    ASN  83           H        ASN  83   6.037  15.104  -4.498
  679    HA   ASN  83           HA       ASN  83   4.763  17.161  -2.966
  680   1HB   ASN  83          2HB       ASN  83   3.527  14.830  -2.586
  681   2HB   ASN  83          1HB       ASN  83   4.875  14.572  -1.483
  682   1HD2  ASN  83          1HD2      ASN  83   5.317  16.722  -0.150
  683   2HD2  ASN  83          2HD2      ASN  83   3.906  17.358   0.620
  684    H    LYS  84           H        LYS  84   6.812  18.090  -3.087
  685    HA   LYS  84           HA       LYS  84   9.212  16.813  -2.332
  686   1HB   LYS  84          2HB       LYS  84   8.345  19.658  -2.682
  687   2HB   LYS  84          1HB       LYS  84   9.888  19.332  -1.907
  688   1HG   LYS  84          2HG       LYS  84   9.662  17.771  -4.297
  689   2HG   LYS  84          1HG       LYS  84   9.327  19.468  -4.649
  690   1HD   LYS  84          2HD       LYS  84  11.425  20.109  -3.567
  691   2HD   LYS  84          1HD       LYS  84  11.758  18.415  -3.201
  692   1HE   LYS  84          2HE       LYS  84  11.307  18.313  -5.883
  693   2HE   LYS  84          1HE       LYS  84  12.050  19.903  -5.715
  694   1HZ   LYS  84          1HZ       LYS  84  13.905  18.849  -4.547
  695   2HZ   LYS  84          2HZ       LYS  84  13.720  18.226  -6.109
  696   3HZ   LYS  84          3HZ       LYS  84  13.198  17.328  -4.774
  697    HA   PRO  85           HA       PRO  85   9.280  16.840   2.078
  698   1HB   PRO  85          2HB       PRO  85  11.640  18.102   2.706
  699   2HB   PRO  85          1HB       PRO  85  11.526  16.427   2.158
  700   1HG   PRO  85          2HG       PRO  85  12.191  18.892   0.601
  701   2HG   PRO  85          1HG       PRO  85  12.935  17.284   0.521
  702   1HD   PRO  85          2HD       PRO  85  11.165  18.110  -1.319
  703   2HD   PRO  85          1HD       PRO  85  11.218  16.420  -0.776
  704    H    GLU  86           H        GLU  86   7.453  18.421   1.878
  705    HA   GLU  86           HA       GLU  86   7.993  21.198   2.393
  706   1HB   GLU  86          2HB       GLU  86   6.037  20.361   1.074
  707   2HB   GLU  86          1HB       GLU  86   5.363  19.715   2.562
  708   1HG   GLU  86          2HG       GLU  86   4.658  21.720   3.269
  709   2HG   GLU  86          1HG       GLU  86   6.091  22.555   2.672
  710    H    THR  87           H        THR  87   6.192  18.727   4.252
  711    HA   THR  87           HA       THR  87   7.333  19.816   6.714
  712    HB   THR  87           HB       THR  87   5.077  19.795   7.790
  713    HG1  THR  87           1HG      THR  87   4.237  19.315   5.126
  714   1HG2  THR  87          1HG2      THR  87   4.624  21.927   7.268
  715   2HG2  THR  87          2HG2      THR  87   4.641  21.622   5.531
  716   3HG2  THR  87          3HG2      THR  87   6.160  21.819   6.406
  717    H    ILE  88           H        ILE  88   4.592  17.613   6.409
  718    HA   ILE  88           HA       ILE  88   6.314  15.416   7.353
  719    HB   ILE  88           HB       ILE  88   3.410  15.782   8.097
  720   1HG1  ILE  88          2HG1      ILE  88   5.387  16.090  10.236
  721   2HG1  ILE  88          1HG1      ILE  88   5.499  17.351   9.016
  722   1HG2  ILE  88          1HG2      ILE  88   5.556  13.846   8.881
  723   2HG2  ILE  88          2HG2      ILE  88   3.919  13.521   8.314
  724   3HG2  ILE  88          3HG2      ILE  88   4.180  14.156   9.938
  725   1HD1  ILE  88          1HD1      ILE  88   3.737  17.211  11.172
  726   2HD1  ILE  88          2HD1      ILE  88   2.757  16.915   9.736
  727   3HD1  ILE  88          3HD1      ILE  88   3.733  18.380   9.852
  728    H    TYR  89           H        TYR  89   4.407  16.455   4.803
  729    HA   TYR  89           HA       TYR  89   2.920  14.198   4.090
  730   1HB   TYR  89          2HB       TYR  89   4.175  16.398   2.460
  731   2HB   TYR  89          1HB       TYR  89   3.261  15.098   1.704
  732    HD1  TYR  89           2HD      TYR  89   0.838  14.818   2.283
  733    HD2  TYR  89           1HD      TYR  89   3.082  18.219   3.508
  734    HE1  TYR  89           2HE      TYR  89  -1.252  16.049   2.679
  735    HE2  TYR  89           1HE      TYR  89   0.998  19.459   3.906
  736    HH   TYR  89           HH       TYR  89  -1.562  18.635   4.477
  737    H    TYR  90           H        TYR  90   6.253  15.114   3.230
  738    HA   TYR  90           HA       TYR  90   6.790  12.847   1.627
  739   1HB   TYR  90          2HB       TYR  90   8.126  15.036   1.770
  740   2HB   TYR  90          1HB       TYR  90   8.886  14.339   3.197
  741    HD1  TYR  90           1HD      TYR  90   9.999  12.012   2.892
  742    HD2  TYR  90           2HD      TYR  90   9.009  14.597  -0.340
  743    HE1  TYR  90           1HE      TYR  90  11.606  10.828   1.462
  744    HE2  TYR  90           2HE      TYR  90  10.616  13.418  -1.782
  745    HH   TYR  90           HH       TYR  90  12.990  11.470  -0.683
  746    H    LYS  91           H        LYS  91   7.463  13.527   5.051
  747    HA   LYS  91           HA       LYS  91   8.757  11.100   5.633
  748   1HB   LYS  91          2HB       LYS  91   7.151  12.870   7.485
  749   2HB   LYS  91          1HB       LYS  91   8.272  11.615   7.988
  750   1HG   LYS  91          2HG       LYS  91   9.663  13.343   6.226
  751   2HG   LYS  91          1HG       LYS  91   8.800  14.341   7.398
  752   1HD   LYS  91          2HD       LYS  91  10.140  12.003   8.552
  753   2HD   LYS  91          1HD       LYS  91  11.232  13.178   7.818
  754   1HE   LYS  91          2HE       LYS  91  10.286  14.948   9.178
  755   2HE   LYS  91          1HE       LYS  91   9.109  13.826   9.861
  756   1HZ   LYS  91          1HZ       LYS  91  10.637  12.911  11.225
  757   2HZ   LYS  91          2HZ       LYS  91  11.396  14.411  11.050
  758   3HZ   LYS  91          3HZ       LYS  91  11.916  13.092  10.131
  759    H    ALA  92           H        ALA  92   5.340  11.999   5.613
  760    HA   ALA  92           HA       ALA  92   4.309   9.734   6.917
  761   1HB   ALA  92          1HB       ALA  92   2.262  10.349   5.328
  762   2HB   ALA  92          2HB       ALA  92   3.202  11.826   5.129
  763   3HB   ALA  92          3HB       ALA  92   2.688  11.319   6.738
  764    H    ALA  93           H        ALA  93   4.842  10.369   3.449
  765    HA   ALA  93           HA       ALA  93   3.839   7.894   2.524
  766   1HB   ALA  93          1HB       ALA  93   4.147   9.893   1.095
  767   2HB   ALA  93          2HB       ALA  93   4.869   8.437   0.413
  768   3HB   ALA  93          3HB       ALA  93   5.893   9.650   1.181
  769    H    LYS  94           H        LYS  94   7.100   8.947   3.436
  770    HA   LYS  94           HA       LYS  94   8.446   6.592   2.631
  771   1HB   LYS  94          2HB       LYS  94   9.123   9.065   3.896
  772   2HB   LYS  94          1HB       LYS  94   9.810   7.753   4.843
  773   1HG   LYS  94          2HG       LYS  94  10.227   8.200   1.895
  774   2HG   LYS  94          1HG       LYS  94  11.380   8.572   3.177
  775   1HD   LYS  94          2HD       LYS  94  11.987   6.410   3.440
  776   2HD   LYS  94          1HD       LYS  94  10.353   5.808   3.148
  777   1HE   LYS  94          2HE       LYS  94  10.701   6.369   0.718
  778   2HE   LYS  94          1HE       LYS  94  12.390   6.679   1.105
  779   1HZ   LYS  94          1HZ       LYS  94  11.685   4.363   0.250
  780   2HZ   LYS  94          2HZ       LYS  94  11.170   4.100   1.840
  781   3HZ   LYS  94          3HZ       LYS  94  12.792   4.465   1.527
  782    H    LYS  95           H        LYS  95   7.006   7.584   5.719
  783    HA   LYS  95           HA       LYS  95   7.914   5.440   7.283
  784   1HB   LYS  95          2HB       LYS  95   6.388   7.680   7.733
  785   2HB   LYS  95          1HB       LYS  95   5.216   6.388   7.942
  786   1HG   LYS  95          2HG       LYS  95   5.952   6.279  10.036
  787   2HG   LYS  95          1HG       LYS  95   7.370   5.470   9.367
  788   1HD   LYS  95          2HD       LYS  95   8.707   7.263   9.690
  789   2HD   LYS  95          1HD       LYS  95   7.435   8.415   9.277
  790   1HE   LYS  95          2HE       LYS  95   6.404   8.004  11.491
  791   2HE   LYS  95          1HE       LYS  95   7.759   6.950  11.894
  792   1HZ   LYS  95          1HZ       LYS  95   8.238   9.045  12.822
  793   2HZ   LYS  95          2HZ       LYS  95   7.816   9.872  11.409
  794   3HZ   LYS  95          3HZ       LYS  95   9.219   8.929  11.448
  795    H    LEU  96           H        LEU  96   5.013   5.781   5.276
  796    HA   LEU  96           HA       LEU  96   3.809   3.331   6.001
  797   1HB   LEU  96          2HB       LEU  96   3.441   5.363   3.893
  798   2HB   LEU  96          1HB       LEU  96   2.889   3.755   3.476
  799    HG   LEU  96           HG       LEU  96   1.117   5.228   4.417
  800   1HD1  LEU  96          1HD1      LEU  96   1.383   3.078   6.419
  801   2HD1  LEU  96          2HD1      LEU  96   1.438   2.590   4.724
  802   3HD1  LEU  96          3HD1      LEU  96   0.043   3.474   5.344
  803   1HD2  LEU  96          1HD2      LEU  96   1.095   5.799   6.736
  804   2HD2  LEU  96          2HD2      LEU  96   2.611   6.381   6.048
  805   3HD2  LEU  96          3HD2      LEU  96   2.592   4.912   7.024
  806    H    LEU  97           H        LEU  97   6.067   4.196   3.398
  807    HA   LEU  97           HA       LEU  97   6.028   1.772   1.997
  808   1HB   LEU  97          2HB       LEU  97   7.207   4.093   1.527
  809   2HB   LEU  97          1HB       LEU  97   8.579   3.298   2.269
  810    HG   LEU  97           HG       LEU  97   7.110   2.369  -0.203
  811   1HD1  LEU  97          1HD1      LEU  97   8.407   4.114  -0.946
  812   2HD1  LEU  97          2HD1      LEU  97   9.535   2.768  -1.095
  813   3HD1  LEU  97          3HD1      LEU  97   9.644   3.862   0.283
  814   1HD2  LEU  97          1HD2      LEU  97   9.240   0.847  -0.257
  815   2HD2  LEU  97          2HD2      LEU  97   7.830   0.372   0.687
  816   3HD2  LEU  97          3HD2      LEU  97   9.221   1.103   1.487
  817    H    HIS  98           H        HIS  98   8.111   2.815   4.691
  818    HA   HIS  98           HA       HIS  98   9.678   0.462   4.786
  819   1HB   HIS  98          2HB       HIS  98   9.109   2.633   6.797
  820   2HB   HIS  98          1HB       HIS  98  10.132   1.255   7.189
  821    HD1  HIS  98           1HD      HIS  98  12.320   2.500   7.367
  822    HD2  HIS  98           2HD      HIS  98  10.376   3.152   3.753
  823    HE1  HIS  98           1HE      HIS  98  13.977   3.724   5.924
  824    HE2  HIS  98           2HE      HIS  98  12.815   4.017   3.711
  825    H    SER  99           H        SER  99   6.763   1.450   6.561
  826    HA   SER  99           HA       SER  99   6.623  -0.836   8.217
  827   1HB   SER  99          2HB       SER  99   4.710   1.328   7.432
  828   2HB   SER  99          1HB       SER  99   4.075  -0.113   8.227
  829    HG   SER  99           HG       SER  99   5.412   0.295   9.975
  830    H    GLY 100           H        GLY 100   5.237  -0.086   5.037
  831   1HA   GLY 100          2HA       GLY 100   3.584  -2.341   4.794
  832   2HA   GLY 100          1HA       GLY 100   4.257  -1.425   3.454
  833    H    MET 101           H        MET 101   6.938  -1.852   3.693
  834    HA   MET 101           HA       MET 101   7.294  -4.366   2.518
  835   1HB   MET 101          2HB       MET 101   9.095  -2.246   3.559
  836   2HB   MET 101          1HB       MET 101   9.798  -3.840   3.318
  837   1HG   MET 101          2HG       MET 101   8.778  -3.724   0.973
  838   2HG   MET 101          1HG       MET 101   8.578  -2.002   1.294
  839   1HE   MET 101          1HE       MET 101  10.534  -0.972   2.763
  840   2HE   MET 101          2HE       MET 101  12.059  -0.721   1.914
  841   3HE   MET 101          3HE       MET 101  11.919  -2.007   3.110
  842    H    LYS 102           H        LYS 102   7.801  -3.302   5.867
  843    HA   LYS 102           HA       LYS 102   8.998  -5.633   6.839
  844   1HB   LYS 102          2HB       LYS 102   8.290  -3.184   7.873
  845   2HB   LYS 102          1HB       LYS 102   7.207  -4.278   8.720
  846   1HG   LYS 102          2HG       LYS 102   9.909  -5.296   8.637
  847   2HG   LYS 102          1HG       LYS 102   9.820  -3.695   9.370
  848   1HD   LYS 102          2HD       LYS 102   8.796  -4.478  11.203
  849   2HD   LYS 102          1HD       LYS 102   7.685  -5.468  10.253
  850   1HE   LYS 102          2HE       LYS 102  10.535  -6.314  10.522
  851   2HE   LYS 102          1HE       LYS 102   9.427  -6.582  11.866
  852   1HZ   LYS 102          1HZ       LYS 102   9.212  -7.647   9.105
  853   2HZ   LYS 102          2HZ       LYS 102   7.944  -7.725  10.222
  854   3HZ   LYS 102          3HZ       LYS 102   9.399  -8.523  10.542
  855    H    ILE 103           H        ILE 103   5.578  -4.664   6.757
  856    HA   ILE 103           HA       ILE 103   4.630  -7.080   7.946
  857    HB   ILE 103           HB       ILE 103   3.025  -5.156   6.266
  858   1HG1  ILE 103          2HG1      ILE 103   3.194  -5.046   9.266
  859   2HG1  ILE 103          1HG1      ILE 103   4.381  -4.198   8.283
  860   1HG2  ILE 103          1HG2      ILE 103   2.336  -7.281   8.270
  861   2HG2  ILE 103          2HG2      ILE 103   1.754  -7.088   6.617
  862   3HG2  ILE 103          3HG2      ILE 103   1.215  -5.977   7.877
  863   1HD1  ILE 103          1HD1      ILE 103   2.949  -2.500   8.352
  864   2HD1  ILE 103          2HD1      ILE 103   1.613  -3.527   8.873
  865   3HD1  ILE 103          3HD1      ILE 103   2.017  -3.405   7.160
  866    H    LEU 104           H        LEU 104   5.109  -5.982   4.627
  867    HA   LEU 104           HA       LEU 104   3.679  -7.988   3.293
  868   1HB   LEU 104          2HB       LEU 104   5.569  -5.933   2.603
  869   2HB   LEU 104          1HB       LEU 104   5.952  -7.408   1.737
  870    HG   LEU 104           HG       LEU 104   3.116  -6.869   1.604
  871   1HD1  LEU 104          1HD1      LEU 104   2.965  -4.771   0.784
  872   2HD1  LEU 104          2HD1      LEU 104   4.579  -4.809   0.076
  873   3HD1  LEU 104          3HD1      LEU 104   4.382  -4.520   1.803
  874   1HD2  LEU 104          1HD2      LEU 104   3.378  -7.634  -0.504
  875   2HD2  LEU 104          2HD2      LEU 104   4.936  -8.181   0.117
  876   3HD2  LEU 104          3HD2      LEU 104   4.829  -6.672  -0.791
  877    H    SER 105           H        SER 105   6.840  -8.030   4.799
  878    HA   SER 105           HA       SER 105   7.889 -10.337   3.573
  879   1HB   SER 105          2HB       SER 105   8.901  -8.539   5.306
  880   2HB   SER 105          1HB       SER 105   8.560  -9.858   6.425
  881    HG   SER 105           HG       SER 105  10.621  -9.631   4.820
  882    H    GLN 106           H        GLN 106   5.419  -9.948   5.974
  883    HA   GLN 106           HA       GLN 106   5.593 -12.723   6.841
  884   1HB   GLN 106          2HB       GLN 106   3.600 -10.598   7.643
  885   2HB   GLN 106          1HB       GLN 106   3.859 -12.147   8.434
  886   1HG   GLN 106          2HG       GLN 106   5.784 -11.462   9.459
  887   2HG   GLN 106          1HG       GLN 106   6.161 -10.279   8.206
  888   1HE2  GLN 106          1HE2      GLN 106   3.284 -10.792  10.224
  889   2HE2  GLN 106          2HE2      GLN 106   3.261  -9.200  10.891
  890    H    GLU 107           H        GLU 107   4.680 -11.745   4.042
  891    HA   GLU 107           HA       GLU 107   1.932 -12.662   3.952
  892   1HB   GLU 107          2HB       GLU 107   3.850 -11.543   1.932
  893   2HB   GLU 107          1HB       GLU 107   2.387 -12.362   1.398
  894   1HG   GLU 107          2HG       GLU 107   1.946 -10.351   3.477
  895   2HG   GLU 107          1HG       GLU 107   2.591  -9.712   1.966
  896    H    ARG 108           H        ARG 108   5.141 -13.868   3.088
  897    HA   ARG 108           HA       ARG 108   4.165 -16.570   3.063
  898   1HB   ARG 108          2HB       ARG 108   3.778 -15.490   0.703
  899   2HB   ARG 108          1HB       ARG 108   5.508 -15.745   0.516
  900   1HG   ARG 108          2HG       ARG 108   4.610 -17.650  -0.418
  901   2HG   ARG 108          1HG       ARG 108   4.987 -18.176   1.223
  902   1HD   ARG 108          2HD       ARG 108   2.712 -17.980   1.893
  903   2HD   ARG 108          1HD       ARG 108   2.277 -17.152   0.399
  904    HE   ARG 108           HE       ARG 108   3.209 -19.550  -0.456
  905   1HH1  ARG 108          1HH1      ARG 108   0.762 -18.619   1.874
  906   2HH1  ARG 108          2HH1      ARG 108  -0.193 -20.041   1.624
  907   1HH2  ARG 108          1HH2      ARG 108   1.939 -21.420  -0.786
  908   2HH2  ARG 108          2HH2      ARG 108   0.475 -21.630   0.115
  909    H    LEU 109           H        LEU 109   5.676 -17.615   4.190
  910    HA   LEU 109           HA       LEU 109   8.452 -17.474   3.421
  911   1HB   LEU 109          2HB       LEU 109   7.766 -15.599   5.200
  912   2HB   LEU 109          1HB       LEU 109   8.020 -16.931   6.312
  913    HG   LEU 109           HG       LEU 109  10.009 -15.488   6.055
  914   1HD1  LEU 109          1HD1      LEU 109  11.438 -17.216   6.306
  915   2HD1  LEU 109          2HD1      LEU 109  10.882 -18.040   4.849
  916   3HD1  LEU 109          3HD1      LEU 109   9.941 -18.145   6.338
  917   1HD2  LEU 109          1HD2      LEU 109  11.020 -15.028   4.087
  918   2HD2  LEU 109          2HD2      LEU 109   9.402 -15.314   3.449
  919   3HD2  LEU 109          3HD2      LEU 109  10.615 -16.593   3.381
  920    H    GLU 110           H        GLU 110   8.477 -19.649   3.073
  921    HA   GLU 110           HA       GLU 110   8.229 -21.349   5.454
  922   1HB   GLU 110          2HB       GLU 110   6.350 -21.337   3.424
  923   2HB   GLU 110          1HB       GLU 110   7.397 -22.675   2.983
  924   1HG   GLU 110          2HG       GLU 110   5.888 -23.766   4.283
  925   2HG   GLU 110          1HG       GLU 110   7.080 -23.332   5.507
  926    H    HIS 111           H        HIS 111  10.189 -22.182   5.787
  927    HA   HIS 111           HA       HIS 111  12.207 -23.174   5.475
  928   1HB   HIS 111          2HB       HIS 111  10.571 -24.222   3.239
  929   2HB   HIS 111          1HB       HIS 111  12.312 -24.410   3.076
  930    HD1  HIS 111           1HD      HIS 111   9.446 -25.423   5.304
  931    HD2  HIS 111           2HD      HIS 111  13.437 -26.378   4.647
  932    HE1  HIS 111           1HE      HIS 111   9.870 -27.505   6.651
  933    HE2  HIS 111           2HE      HIS 111  12.311 -28.020   6.297
  934    H    HIS 112           H        HIS 112  13.471 -21.333   5.398
  935    HA   HIS 112           HA       HIS 112  13.909 -20.018   2.834
  936   1HB   HIS 112          2HB       HIS 112  13.615 -18.697   4.943
  937   2HB   HIS 112          1HB       HIS 112  15.130 -19.374   5.527
  938    HD1  HIS 112           1HD      HIS 112  15.162 -18.537   1.943
  939    HD2  HIS 112           2HD      HIS 112  16.026 -16.633   5.534
  940    HE1  HIS 112           1HE      HIS 112  16.494 -16.501   1.319
  941    HE2  HIS 112           2HE      HIS 112  17.035 -15.381   3.509
  942    H    HIS 113           H        HIS 113  15.458 -20.655   1.495
  943    HA   HIS 113           HA       HIS 113  17.406 -21.465   0.653
  944   1HB   HIS 113          2HB       HIS 113  18.149 -20.212   3.096
  945   2HB   HIS 113          1HB       HIS 113  19.053 -21.716   2.985
  946    HD1  HIS 113           1HD      HIS 113  19.594 -21.754  -0.056
  947    HD2  HIS 113           2HD      HIS 113  20.052 -18.407   2.366
  948    HE1  HIS 113           1HE      HIS 113  21.217 -20.268  -1.265
  949    HE2  HIS 113           2HE      HIS 113  21.555 -18.295   0.265
  950    H    HIS 114           H        HIS 114  19.260 -23.258   1.402
  951    HA   HIS 114           HA       HIS 114  17.820 -25.708   1.446
  952   1HB   HIS 114          2HB       HIS 114  20.753 -25.029   1.573
  953   2HB   HIS 114          1HB       HIS 114  20.189 -26.689   1.715
  954    HD1  HIS 114           1HD      HIS 114  18.395 -27.258  -0.438
  955    HD2  HIS 114           2HD      HIS 114  21.432 -24.471  -0.968
  956    HE1  HIS 114           1HE      HIS 114  18.734 -27.097  -2.925
  957    HE2  HIS 114           2HE      HIS 114  20.537 -25.363  -3.225
  958    H    HIS 115           H        HIS 115  18.601 -27.519   3.010
  959    HA   HIS 115           HA       HIS 115  18.771 -26.464   5.749
  960   1HB   HIS 115          2HB       HIS 115  17.178 -28.227   6.480
  961   2HB   HIS 115          1HB       HIS 115  16.450 -27.048   5.396
  962    HD1  HIS 115           1HD      HIS 115  16.181 -27.894   2.835
  963    HD2  HIS 115           2HD      HIS 115  16.903 -30.820   5.694
  964    HE1  HIS 115           1HE      HIS 115  15.527 -30.067   1.753
  965    HE2  HIS 115           2HE      HIS 115  16.111 -31.833   3.451
  966    H    HIS 116           H        HIS 116  20.403 -27.305   6.864
  967    HA   HIS 116           HA       HIS 116  21.846 -29.585   5.794
  968   1HB   HIS 116          2HB       HIS 116  22.888 -27.413   6.749
  969   2HB   HIS 116          1HB       HIS 116  22.560 -28.123   8.325
  970    HD1  HIS 116           1HD      HIS 116  23.396 -31.018   7.843
  971    HD2  HIS 116           2HD      HIS 116  25.570 -27.740   6.498
  972    HE1  HIS 116           1HE      HIS 116  25.748 -31.850   7.540
  973    HE2  HIS 116           2HE      HIS 116  27.063 -29.829   6.810
  Start of MODEL   17
    1   1H    MET   0          1HT       MET   0  -6.488 -24.574 -13.115
    2   2H    MET   0          2HT       MET   0  -7.758 -23.905 -12.173
    3   3H    MET   0          3HT       MET   0  -7.205 -25.501 -11.865
    4    HA   MET   0           HA       MET   0  -4.999 -24.520 -11.375
    5   1HB   MET   0          2HB       MET   0  -5.991 -22.308 -12.503
    6   2HB   MET   0          1HB       MET   0  -6.443 -21.967 -10.838
    7   1HG   MET   0          2HG       MET   0  -4.401 -21.243 -10.429
    8   2HG   MET   0          1HG       MET   0  -3.749 -22.831 -10.828
    9   1HE   MET   0          1HE       MET   0  -2.661 -20.003 -10.872
   10   2HE   MET   0          2HE       MET   0  -3.324 -18.994 -12.157
   11   3HE   MET   0          3HE       MET   0  -1.757 -19.774 -12.371
   12    H    GLU   1           H        GLU   1  -4.662 -23.503  -9.074
   13    HA   GLU   1           HA       GLU   1  -6.444 -24.954  -7.305
   14   1HB   GLU   1          2HB       GLU   1  -3.785 -24.703  -7.257
   15   2HB   GLU   1          1HB       GLU   1  -4.189 -23.329  -6.238
   16   1HG   GLU   1          2HG       GLU   1  -4.400 -24.694  -4.519
   17   2HG   GLU   1          1HG       GLU   1  -5.749 -25.485  -5.331
   18    H    GLU   2           H        GLU   2  -8.219 -23.386  -7.905
   19    HA   GLU   2           HA       GLU   2  -8.043 -20.849  -6.463
   20   1HB   GLU   2          2HB       GLU   2  -9.717 -21.897  -8.673
   21   2HB   GLU   2          1HB       GLU   2 -10.491 -20.760  -7.576
   22   1HG   GLU   2          2HG       GLU   2  -9.314 -19.015  -8.345
   23   2HG   GLU   2          1HG       GLU   2  -7.831 -19.953  -8.512
   24    H    VAL   3           H        VAL   3  -8.086 -21.797  -4.365
   25    HA   VAL   3           HA       VAL   3 -10.663 -21.886  -3.214
   26    HB   VAL   3           HB       VAL   3 -10.745 -24.129  -4.198
   27   1HG1  VAL   3          1HG1      VAL   3  -8.372 -24.785  -2.455
   28   2HG1  VAL   3          2HG1      VAL   3  -8.310 -24.560  -4.203
   29   3HG1  VAL   3          3HG1      VAL   3  -9.245 -25.889  -3.518
   30   1HG2  VAL   3          1HG2      VAL   3 -10.416 -24.789  -1.342
   31   2HG2  VAL   3          2HG2      VAL   3 -11.802 -25.012  -2.410
   32   3HG2  VAL   3          3HG2      VAL   3 -11.479 -23.428  -1.705
   33    H    GLU   4           H        GLU   4  -7.266 -22.880  -2.844
   34    HA   GLU   4           HA       GLU   4  -7.392 -22.283   0.013
   35   1HB   GLU   4          2HB       GLU   4  -5.307 -23.602  -1.717
   36   2HB   GLU   4          1HB       GLU   4  -4.991 -23.146  -0.050
   37   1HG   GLU   4          2HG       GLU   4  -7.356 -24.844  -0.702
   38   2HG   GLU   4          1HG       GLU   4  -5.747 -25.560  -0.618
   39    H    GLN   5           H        GLN   5  -7.632 -20.095  -1.839
   40    HA   GLN   5           HA       GLN   5  -5.077 -18.691  -1.458
   41   1HB   GLN   5          2HB       GLN   5  -7.310 -18.354  -3.434
   42   2HB   GLN   5          1HB       GLN   5  -6.220 -17.020  -3.092
   43   1HG   GLN   5          2HG       GLN   5  -4.346 -18.217  -3.886
   44   2HG   GLN   5          1HG       GLN   5  -5.249 -19.730  -3.935
   45   1HE2  GLN   5          1HE2      GLN   5  -7.409 -19.356  -5.285
   46   2HE2  GLN   5          2HE2      GLN   5  -7.128 -18.701  -6.859
   47    H    THR   6           H        THR   6  -8.286 -18.859  -0.303
   48    HA   THR   6           HA       THR   6  -8.908 -16.248   0.345
   49    HB   THR   6           HB       THR   6  -9.644 -17.956   2.540
   50    HG1  THR   6           1HG      THR   6 -10.405 -19.041   0.046
   51   1HG2  THR   6          1HG2      THR   6 -11.683 -17.517   0.523
   52   2HG2  THR   6          2HG2      THR   6 -10.850 -16.037   0.997
   53   3HG2  THR   6          3HG2      THR   6 -11.635 -17.038   2.219
   54    HA   PRO   7           HA       PRO   7  -6.488 -17.043   4.623
   55   1HB   PRO   7          2HB       PRO   7  -4.328 -18.674   3.364
   56   2HB   PRO   7          1HB       PRO   7  -5.003 -18.765   4.995
   57   1HG   PRO   7          2HG       PRO   7  -5.664 -20.575   3.170
   58   2HG   PRO   7          1HG       PRO   7  -6.877 -19.945   4.298
   59   1HD   PRO   7          2HD       PRO   7  -6.460 -19.312   1.411
   60   2HD   PRO   7          1HD       PRO   7  -7.973 -19.446   2.332
   61    H    LEU   8           H        LEU   8  -4.841 -16.953   1.471
   62    HA   LEU   8           HA       LEU   8  -2.717 -15.260   2.219
   63   1HB   LEU   8          2HB       LEU   8  -3.743 -16.423  -0.198
   64   2HB   LEU   8          1HB       LEU   8  -3.383 -14.732  -0.484
   65    HG   LEU   8           HG       LEU   8  -1.103 -15.418   0.736
   66   1HD1  LEU   8          1HD1      LEU   8  -1.220 -17.644   1.158
   67   2HD1  LEU   8          2HD1      LEU   8  -0.608 -17.722  -0.493
   68   3HD1  LEU   8          3HD1      LEU   8  -2.327 -17.957  -0.178
   69   1HD2  LEU   8          1HD2      LEU   8  -0.766 -14.443  -1.285
   70   2HD2  LEU   8          2HD2      LEU   8  -1.985 -15.427  -2.092
   71   3HD2  LEU   8          3HD2      LEU   8  -0.397 -16.106  -1.742
   72    H    GLN   9           H        GLN   9  -5.937 -14.569   0.896
   73    HA   GLN   9           HA       GLN   9  -5.667 -11.796   0.576
   74   1HB   GLN   9          2HB       GLN   9  -7.572 -13.432  -0.148
   75   2HB   GLN   9          1HB       GLN   9  -8.263 -13.040   1.420
   76   1HG   GLN   9          2HG       GLN   9  -7.920 -10.579   0.657
   77   2HG   GLN   9          1HG       GLN   9  -7.847 -11.288  -0.956
   78   1HE2  GLN   9          1HE2      GLN   9  -9.731 -10.832  -1.886
   79   2HE2  GLN   9          2HE2      GLN   9 -11.289 -11.129  -1.199
   80    H    GLU  10           H        GLU  10  -6.666 -13.719   3.381
   81    HA   GLU  10           HA       GLU  10  -7.476 -11.610   5.040
   82   1HB   GLU  10          2HB       GLU  10  -7.745 -14.148   5.371
   83   2HB   GLU  10          1HB       GLU  10  -6.129 -14.103   6.062
   84   1HG   GLU  10          2HG       GLU  10  -6.810 -13.045   7.947
   85   2HG   GLU  10          1HG       GLU  10  -8.096 -12.166   7.122
   86    H    ALA  11           H        ALA  11  -4.295 -13.160   4.673
   87    HA   ALA  11           HA       ALA  11  -2.954 -11.647   6.635
   88   1HB   ALA  11          1HB       ALA  11  -2.084 -13.293   4.302
   89   2HB   ALA  11          2HB       ALA  11  -1.767 -13.519   6.021
   90   3HB   ALA  11          3HB       ALA  11  -0.905 -12.271   5.125
   91    H    LEU  12           H        LEU  12  -3.420 -11.129   3.154
   92    HA   LEU  12           HA       LEU  12  -1.777  -8.838   2.944
   93   1HB   LEU  12          2HB       LEU  12  -4.161  -9.643   1.269
   94   2HB   LEU  12          1HB       LEU  12  -3.005  -8.397   0.845
   95    HG   LEU  12           HG       LEU  12  -2.089 -11.214   1.324
   96   1HD1  LEU  12          1HD1      LEU  12  -2.743 -11.973  -0.693
   97   2HD1  LEU  12          2HD1      LEU  12  -2.597 -10.392  -1.462
   98   3HD1  LEU  12          3HD1      LEU  12  -4.021 -10.775  -0.493
   99   1HD2  LEU  12          1HD2      LEU  12  -0.150 -10.574   0.305
  100   2HD2  LEU  12          2HD2      LEU  12  -0.634  -9.032   1.010
  101   3HD2  LEU  12          3HD2      LEU  12  -0.943  -9.357  -0.695
  102    H    ASN  13           H        ASN  13  -5.258  -9.230   3.531
  103    HA   ASN  13           HA       ASN  13  -5.948  -6.511   3.534
  104   1HB   ASN  13          2HB       ASN  13  -7.195  -8.849   4.994
  105   2HB   ASN  13          1HB       ASN  13  -7.911  -7.244   4.924
  106   1HD2  ASN  13          1HD2      ASN  13  -8.744  -9.929   3.878
  107   2HD2  ASN  13          2HD2      ASN  13  -9.098  -9.651   2.211
  108    H    GLN  14           H        GLN  14  -4.651  -8.589   6.074
  109    HA   GLN  14           HA       GLN  14  -5.040  -6.812   8.235
  110   1HB   GLN  14          2HB       GLN  14  -3.759  -9.350   7.789
  111   2HB   GLN  14          1HB       GLN  14  -2.704  -8.318   8.744
  112   1HG   GLN  14          2HG       GLN  14  -4.031  -8.409  10.548
  113   2HG   GLN  14          1HG       GLN  14  -5.511  -8.339   9.595
  114   1HE2  GLN  14          1HE2      GLN  14  -5.543 -10.479   8.078
  115   2HE2  GLN  14          2HE2      GLN  14  -5.438 -11.935   9.002
  116    H    LEU  15           H        LEU  15  -2.259  -7.349   6.081
  117    HA   LEU  15           HA       LEU  15  -0.458  -5.577   7.245
  118   1HB   LEU  15          2HB       LEU  15   0.361  -7.020   5.577
  119   2HB   LEU  15          1HB       LEU  15  -0.856  -6.521   4.419
  120    HG   LEU  15           HG       LEU  15   1.046  -4.424   5.301
  121   1HD1  LEU  15          1HD1      LEU  15   2.691  -5.263   3.574
  122   2HD1  LEU  15          2HD1      LEU  15   1.855  -6.814   3.668
  123   3HD1  LEU  15          3HD1      LEU  15   2.640  -6.149   5.098
  124   1HD2  LEU  15          1HD2      LEU  15   0.273  -5.176   2.506
  125   2HD2  LEU  15          2HD2      LEU  15   0.747  -3.603   3.146
  126   3HD2  LEU  15          3HD2      LEU  15  -0.833  -4.277   3.544
  127    H    MET  16           H        MET  16  -2.933  -4.963   4.767
  128    HA   MET  16           HA       MET  16  -2.342  -2.234   4.377
  129   1HB   MET  16          2HB       MET  16  -4.255  -4.102   3.413
  130   2HB   MET  16          1HB       MET  16  -5.141  -2.699   3.994
  131   1HG   MET  16          2HG       MET  16  -4.759  -2.171   1.787
  132   2HG   MET  16          1HG       MET  16  -3.440  -1.339   2.608
  133   1HE   MET  16          1HE       MET  16  -1.011  -2.287   2.787
  134   2HE   MET  16          2HE       MET  16  -1.233  -1.284   1.355
  135   3HE   MET  16          3HE       MET  16  -0.316  -2.785   1.245
  136    H    ARG  17           H        ARG  17  -4.669  -3.852   6.529
  137    HA   ARG  17           HA       ARG  17  -5.882  -1.556   7.576
  138   1HB   ARG  17          2HB       ARG  17  -5.474  -4.323   8.694
  139   2HB   ARG  17          1HB       ARG  17  -6.305  -3.076   9.610
  140   1HG   ARG  17          2HG       ARG  17  -7.706  -2.874   7.376
  141   2HG   ARG  17          1HG       ARG  17  -7.167  -4.542   7.184
  142   1HD   ARG  17          2HD       ARG  17  -8.009  -4.288   9.853
  143   2HD   ARG  17          1HD       ARG  17  -9.231  -3.479   8.873
  144    HE   ARG  17           HE       ARG  17  -8.850  -5.821   7.572
  145   1HH1  ARG  17          1HH1      ARG  17  -9.573  -5.038  10.909
  146   2HH1  ARG  17          2HH1      ARG  17 -10.438  -6.510  11.194
  147   1HH2  ARG  17          1HH2      ARG  17  -9.995  -7.757   7.955
  148   2HH2  ARG  17          2HH2      ARG  17 -10.678  -8.053   9.518
  149    H    GLN  18           H        GLN  18  -3.023  -3.352   8.703
  150    HA   GLN  18           HA       GLN  18  -2.544  -1.857  11.026
  151   1HB   GLN  18          2HB       GLN  18  -0.731  -3.445   9.222
  152   2HB   GLN  18          1HB       GLN  18  -0.117  -2.615  10.645
  153   1HG   GLN  18          2HG       GLN  18  -1.796  -3.891  11.998
  154   2HG   GLN  18          1HG       GLN  18  -2.148  -4.826  10.548
  155   1HE2  GLN  18          1HE2      GLN  18  -1.364  -6.780  11.043
  156   2HE2  GLN  18          2HE2      GLN  18   0.273  -7.104  11.494
  157    H    LEU  19           H        LEU  19  -1.436  -1.375   7.692
  158    HA   LEU  19           HA       LEU  19   0.270   0.808   8.193
  159   1HB   LEU  19          2HB       LEU  19  -1.266   0.031   5.716
  160   2HB   LEU  19          1HB       LEU  19  -0.067   1.311   5.760
  161    HG   LEU  19           HG       LEU  19   0.780  -1.376   6.709
  162   1HD1  LEU  19          1HD1      LEU  19   1.138  -1.078   3.846
  163   2HD1  LEU  19          2HD1      LEU  19  -0.559  -1.203   4.304
  164   3HD1  LEU  19          3HD1      LEU  19   0.578  -2.463   4.783
  165   1HD2  LEU  19          1HD2      LEU  19   2.326   0.279   4.807
  166   2HD2  LEU  19          2HD2      LEU  19   2.860  -0.627   6.223
  167   3HD2  LEU  19          3HD2      LEU  19   2.076   0.939   6.422
  168    H    GLN  20           H        GLN  20  -3.175   0.648   7.377
  169    HA   GLN  20           HA       GLN  20  -3.622   3.407   7.078
  170   1HB   GLN  20          2HB       GLN  20  -5.142   1.158   6.788
  171   2HB   GLN  20          1HB       GLN  20  -5.832   1.847   8.252
  172   1HG   GLN  20          2HG       GLN  20  -6.598   3.726   7.172
  173   2HG   GLN  20          1HG       GLN  20  -5.418   3.587   5.869
  174   1HE2  GLN  20          1HE2      GLN  20  -5.933   2.466   4.066
  175   2HE2  GLN  20          2HE2      GLN  20  -7.456   1.700   3.799
  176    H    ARG  21           H        ARG  21  -3.646   1.315   9.918
  177    HA   ARG  21           HA       ARG  21  -4.646   3.292  11.716
  178   1HB   ARG  21          2HB       ARG  21  -4.187   0.543  11.801
  179   2HB   ARG  21          1HB       ARG  21  -3.078   1.209  12.990
  180   1HG   ARG  21          2HG       ARG  21  -4.760   1.245  14.426
  181   2HG   ARG  21          1HG       ARG  21  -5.497   2.520  13.452
  182   1HD   ARG  21          2HD       ARG  21  -6.847   1.000  12.283
  183   2HD   ARG  21          1HD       ARG  21  -5.873  -0.383  12.780
  184    HE   ARG  21           HE       ARG  21  -6.901   0.694  15.102
  185   1HH1  ARG  21          1HH1      ARG  21  -8.209  -0.689  12.160
  186   2HH1  ARG  21          2HH1      ARG  21  -9.641  -1.285  12.931
  187   1HH2  ARG  21          1HH2      ARG  21  -8.791  -0.095  16.110
  188   2HH2  ARG  21          2HH2      ARG  21  -9.971  -0.946  15.171
  189    H    LYS  22           H        LYS  22  -1.541   2.760  10.354
  190    HA   LYS  22           HA       LYS  22   0.233   3.454  12.337
  191   1HB   LYS  22          2HB       LYS  22   0.284   4.214   9.413
  192   2HB   LYS  22          1HB       LYS  22   1.640   4.450  10.505
  193   1HG   LYS  22          2HG       LYS  22   0.465   1.734  10.332
  194   2HG   LYS  22          1HG       LYS  22   1.422   2.311   8.968
  195   1HD   LYS  22          2HD       LYS  22   3.028   1.289  10.273
  196   2HD   LYS  22          1HD       LYS  22   3.148   2.968  10.806
  197   1HE   LYS  22          2HE       LYS  22   1.152   1.604  12.348
  198   2HE   LYS  22          1HE       LYS  22   2.649   0.674  12.370
  199   1HZ   LYS  22          1HZ       LYS  22   2.380   3.544  13.094
  200   2HZ   LYS  22          2HZ       LYS  22   3.822   2.661  13.105
  201   3HZ   LYS  22          3HZ       LYS  22   2.579   2.263  14.180
  202    H    ASP  23           H        ASP  23  -0.758   5.882   9.920
  203    HA   ASP  23           HA       ASP  23  -1.941   7.810  11.344
  204   1HB   ASP  23          2HB       ASP  23   0.770   7.573  12.311
  205   2HB   ASP  23          1HB       ASP  23   0.492   9.172  11.633
  206    HA   PRO  24           HA       PRO  24   0.684   9.980   7.825
  207   1HB   PRO  24          2HB       PRO  24   2.010   7.597   6.676
  208   2HB   PRO  24          1HB       PRO  24   2.665   9.204   6.998
  209   1HG   PRO  24          2HG       PRO  24   3.337   7.113   8.519
  210   2HG   PRO  24          1HG       PRO  24   3.111   8.726   9.218
  211   1HD   PRO  24          2HD       PRO  24   1.270   6.373   9.261
  212   2HD   PRO  24          1HD       PRO  24   1.646   7.543  10.540
  213    H    SER  25           H        SER  25  -0.651   6.739   7.543
  214    HA   SER  25           HA       SER  25  -1.490   7.064   4.811
  215   1HB   SER  25          2HB       SER  25  -0.918   4.844   5.855
  216   2HB   SER  25          1HB       SER  25  -2.410   4.968   6.787
  217    HG   SER  25           HG       SER  25  -3.584   4.878   4.908
  218    H    ALA  26           H        ALA  26  -2.626   8.468   7.575
  219    HA   ALA  26           HA       ALA  26  -5.397   8.090   7.502
  220   1HB   ALA  26          1HB       ALA  26  -5.564  10.142   8.766
  221   2HB   ALA  26          2HB       ALA  26  -3.926  10.597   8.298
  222   3HB   ALA  26          3HB       ALA  26  -4.187   9.201   9.342
  223    H    PHE  27           H        PHE  27  -3.307  10.086   5.521
  224    HA   PHE  27           HA       PHE  27  -5.567  11.464   4.296
  225   1HB   PHE  27          2HB       PHE  27  -2.677  11.720   3.477
  226   2HB   PHE  27          1HB       PHE  27  -3.985  12.871   3.235
  227    HD1  PHE  27           2HD      PHE  27  -1.565  11.521   5.623
  228    HD2  PHE  27           1HD      PHE  27  -4.710  14.324   5.021
  229    HE1  PHE  27           2HE      PHE  27  -0.922  12.682   7.695
  230    HE2  PHE  27           1HE      PHE  27  -4.073  15.489   7.092
  231    HZ   PHE  27           HZ       PHE  27  -2.178  14.669   8.432
  232    H    PHE  28           H        PHE  28  -3.316   8.878   3.609
  233    HA   PHE  28           HA       PHE  28  -4.145   8.725   0.820
  234   1HB   PHE  28          2HB       PHE  28  -2.271   6.899   2.333
  235   2HB   PHE  28          1HB       PHE  28  -2.458   7.013   0.586
  236    HD1  PHE  28           2HD      PHE  28  -2.329   9.761  -0.063
  237    HD2  PHE  28           1HD      PHE  28  -0.222   7.669   2.986
  238    HE1  PHE  28           2HE      PHE  28  -0.545  11.454  -0.141
  239    HE2  PHE  28           1HE      PHE  28   1.564   9.358   2.915
  240    HZ   PHE  28           HZ       PHE  28   1.405  11.254   1.349
  241    H    SER  29           H        SER  29  -5.354   7.655   3.727
  242    HA   SER  29           HA       SER  29  -6.067   4.994   3.281
  243   1HB   SER  29          2HB       SER  29  -6.247   6.244   5.455
  244   2HB   SER  29          1HB       SER  29  -7.682   7.044   4.816
  245    HG   SER  29           HG       SER  29  -8.563   4.884   4.534
  246    H    PHE  30           H        PHE  30  -7.288   7.863   1.813
  247    HA   PHE  30           HA       PHE  30  -9.433   6.314   0.553
  248   1HB   PHE  30          2HB       PHE  30 -10.433   8.829   0.452
  249   2HB   PHE  30          1HB       PHE  30 -10.836   7.667   1.705
  250    HD1  PHE  30           2HD      PHE  30  -8.211  10.226   0.979
  251    HD2  PHE  30           1HD      PHE  30 -10.737   8.394   3.877
  252    HE1  PHE  30           2HE      PHE  30  -7.379  11.787   2.688
  253    HE2  PHE  30           1HE      PHE  30  -9.909   9.956   5.588
  254    HZ   PHE  30           HZ       PHE  30  -8.228  11.654   4.994
  255    HA   PRO  31           HA       PRO  31  -7.982   7.643  -3.387
  256   1HB   PRO  31          2HB       PRO  31 -10.227   8.654  -4.614
  257   2HB   PRO  31          1HB       PRO  31  -9.870   6.931  -4.456
  258   1HG   PRO  31          2HG       PRO  31 -11.660   8.656  -2.791
  259   2HG   PRO  31          1HG       PRO  31 -11.923   7.002  -3.379
  260   1HD   PRO  31          2HD       PRO  31 -11.178   7.489  -0.848
  261   2HD   PRO  31          1HD       PRO  31 -10.585   6.069  -1.733
  262    H    VAL  32           H        VAL  32  -6.844   9.369  -4.032
  263    HA   VAL  32           HA       VAL  32  -6.870  11.799  -2.703
  264    HB   VAL  32           HB       VAL  32  -5.675  12.681  -4.832
  265   1HG1  VAL  32          1HG1      VAL  32  -4.683  10.555  -2.966
  266   2HG1  VAL  32          2HG1      VAL  32  -4.395  12.294  -2.919
  267   3HG1  VAL  32          3HG1      VAL  32  -3.624  11.307  -4.160
  268   1HG2  VAL  32          1HG2      VAL  32  -4.943   9.950  -5.503
  269   2HG2  VAL  32          2HG2      VAL  32  -5.340  11.311  -6.554
  270   3HG2  VAL  32          3HG2      VAL  32  -6.627  10.325  -5.862
  271    H    THR  33           H        THR  33  -7.547  13.889  -3.240
  272    HA   THR  33           HA       THR  33  -9.504  14.151  -5.401
  273    HB   THR  33           HB       THR  33 -10.375  15.586  -3.027
  274    HG1  THR  33           1HG      THR  33 -10.908  13.847  -1.768
  275   1HG2  THR  33          1HG2      THR  33 -11.604  13.666  -4.954
  276   2HG2  THR  33          2HG2      THR  33 -11.988  15.362  -4.661
  277   3HG2  THR  33          3HG2      THR  33 -12.449  14.135  -3.481
  278    H    ASP  34           H        ASP  34 -10.366  16.739  -4.809
  279    HA   ASP  34           HA       ASP  34  -8.145  18.266  -5.740
  280   1HB   ASP  34          2HB       ASP  34 -10.879  18.495  -5.919
  281   2HB   ASP  34          1HB       ASP  34 -10.469  19.773  -4.783
  282    H    PHE  35           H        PHE  35  -8.901  17.283  -2.660
  283    HA   PHE  35           HA       PHE  35  -7.616  19.652  -1.465
  284   1HB   PHE  35          2HB       PHE  35  -9.503  17.774  -0.030
  285   2HB   PHE  35          1HB       PHE  35  -8.877  19.314   0.546
  286    HD1  PHE  35           1HD      PHE  35 -10.881  17.920  -2.277
  287    HD2  PHE  35           2HD      PHE  35 -10.223  21.167   0.394
  288    HE1  PHE  35           1HE      PHE  35 -12.863  19.066  -3.184
  289    HE2  PHE  35           2HE      PHE  35 -12.199  22.318  -0.508
  290    HZ   PHE  35           HZ       PHE  35 -13.523  21.268  -2.299
  291    H    ILE  36           H        ILE  36  -8.106  16.154  -1.203
  292    HA   ILE  36           HA       ILE  36  -6.028  15.671   0.652
  293    HB   ILE  36           HB       ILE  36  -7.547  13.940  -1.279
  294   1HG1  ILE  36          2HG1      ILE  36  -7.764  12.890   1.252
  295   2HG1  ILE  36          1HG1      ILE  36  -7.635  14.615   1.574
  296   1HG2  ILE  36          1HG2      ILE  36  -5.441  12.902  -1.357
  297   2HG2  ILE  36          2HG2      ILE  36  -6.376  11.985  -0.176
  298   3HG2  ILE  36          3HG2      ILE  36  -5.166  13.146   0.368
  299   1HD1  ILE  36          1HD1      ILE  36  -9.697  13.202  -0.087
  300   2HD1  ILE  36          2HD1      ILE  36  -9.496  14.954  -0.074
  301   3HD1  ILE  36          3HD1      ILE  36  -9.933  14.106   1.409
  302    H    ALA  37           H        ALA  37  -6.159  15.982  -2.832
  303    HA   ALA  37           HA       ALA  37  -3.237  15.595  -2.951
  304   1HB   ALA  37          1HB       ALA  37  -3.947  13.813  -4.210
  305   2HB   ALA  37          2HB       ALA  37  -3.828  15.059  -5.452
  306   3HB   ALA  37          3HB       ALA  37  -5.398  14.646  -4.768
  307    HA   PRO  38           HA       PRO  38  -3.307  19.733  -4.557
  308   1HB   PRO  38          2HB       PRO  38  -0.579  19.596  -5.351
  309   2HB   PRO  38          1HB       PRO  38  -1.229  20.302  -3.872
  310   1HG   PRO  38          2HG       PRO  38   0.353  18.025  -4.008
  311   2HG   PRO  38          1HG       PRO  38  -0.676  18.477  -2.641
  312   1HD   PRO  38          2HD       PRO  38  -1.169  16.501  -4.820
  313   2HD   PRO  38          1HD       PRO  38  -1.649  16.447  -3.110
  314    H    GLY  39           H        GLY  39  -3.207  17.124  -6.390
  315   1HA   GLY  39          2HA       GLY  39  -4.183  17.764  -8.698
  316   2HA   GLY  39          1HA       GLY  39  -2.601  18.498  -8.909
  317    H    TYR  40           H        TYR  40  -3.375  15.444  -7.302
  318    HA   TYR  40           HA       TYR  40  -1.292  13.987  -8.430
  319   1HB   TYR  40          2HB       TYR  40  -3.882  13.224  -7.142
  320   2HB   TYR  40          1HB       TYR  40  -2.943  11.976  -7.952
  321    HD1  TYR  40           2HD      TYR  40  -1.853  14.888  -5.886
  322    HD2  TYR  40           1HD      TYR  40  -1.997  10.649  -6.279
  323    HE1  TYR  40           2HE      TYR  40  -0.473  14.659  -3.867
  324    HE2  TYR  40           1HE      TYR  40  -0.620  10.414  -4.259
  325    HH   TYR  40           HH       TYR  40   1.101  12.925  -2.894
  326    H    SER  41           H        SER  41  -4.611  14.422  -9.598
  327    HA   SER  41           HA       SER  41  -4.530  12.554 -11.686
  328   1HB   SER  41          2HB       SER  41  -6.153  15.034 -11.202
  329   2HB   SER  41          1HB       SER  41  -6.308  14.148 -12.718
  330    HG   SER  41           HG       SER  41  -7.808  13.452 -11.113
  331    H    MET  42           H        MET  42  -3.105  15.726 -11.456
  332    HA   MET  42           HA       MET  42  -2.826  16.169 -14.262
  333   1HB   MET  42          2HB       MET  42  -2.036  17.526 -11.787
  334   2HB   MET  42          1HB       MET  42  -0.887  17.724 -13.101
  335   1HG   MET  42          2HG       MET  42  -3.685  18.118 -13.866
  336   2HG   MET  42          1HG       MET  42  -3.075  19.274 -12.684
  337   1HE   MET  42          1HE       MET  42  -0.176  20.130 -13.359
  338   2HE   MET  42          2HE       MET  42  -1.607  21.122 -13.088
  339   3HE   MET  42          3HE       MET  42  -0.591  21.410 -14.500
  340    H    ILE  43           H        ILE  43  -0.574  15.016 -11.742
  341    HA   ILE  43           HA       ILE  43   1.315  14.305 -13.884
  342    HB   ILE  43           HB       ILE  43   1.899  15.850 -11.841
  343   1HG1  ILE  43          2HG1      ILE  43   4.275  14.671 -11.917
  344   2HG1  ILE  43          1HG1      ILE  43   3.528  13.780 -13.239
  345   1HG2  ILE  43          1HG2      ILE  43   3.000  14.607 -10.023
  346   2HG2  ILE  43          2HG2      ILE  43   2.347  13.108 -10.680
  347   3HG2  ILE  43          3HG2      ILE  43   1.254  14.354 -10.073
  348   1HD1  ILE  43          1HD1      ILE  43   3.341  16.748 -13.218
  349   2HD1  ILE  43          2HD1      ILE  43   3.381  15.627 -14.579
  350   3HD1  ILE  43          3HD1      ILE  43   4.859  15.979 -13.684
  351    H    ILE  44           H        ILE  44  -0.120  13.033 -10.895
  352    HA   ILE  44           HA       ILE  44   0.903  10.368 -11.478
  353    HB   ILE  44           HB       ILE  44  -0.669  11.448  -9.134
  354   1HG1  ILE  44          2HG1      ILE  44   1.554  12.250  -9.036
  355   2HG1  ILE  44          1HG1      ILE  44   1.487  10.884  -7.928
  356   1HG2  ILE  44          1HG2      ILE  44  -1.292   9.141  -9.461
  357   2HG2  ILE  44          2HG2      ILE  44  -0.230   9.267  -8.061
  358   3HG2  ILE  44          3HG2      ILE  44   0.401   8.671  -9.596
  359   1HD1  ILE  44          1HD1      ILE  44   3.463  10.500  -9.015
  360   2HD1  ILE  44          2HD1      ILE  44   2.874  11.138 -10.548
  361   3HD1  ILE  44          3HD1      ILE  44   2.352   9.546  -9.998
  362    H    LYS  45           H        LYS  45  -0.266   9.878 -13.342
  363    HA   LYS  45           HA       LYS  45  -2.952  10.153 -13.836
  364   1HB   LYS  45          2HB       LYS  45  -0.808   8.394 -14.825
  365   2HB   LYS  45          1HB       LYS  45  -2.440   7.797 -15.089
  366   1HG   LYS  45          2HG       LYS  45  -2.425  10.527 -15.812
  367   2HG   LYS  45          1HG       LYS  45  -1.002   9.778 -16.539
  368   1HD   LYS  45          2HD       LYS  45  -2.238   8.395 -17.871
  369   2HD   LYS  45          1HD       LYS  45  -3.584   8.321 -16.733
  370   1HE   LYS  45          2HE       LYS  45  -3.438  10.994 -17.546
  371   2HE   LYS  45          1HE       LYS  45  -3.195  10.045 -19.011
  372   1HZ   LYS  45          1HZ       LYS  45  -5.256   8.755 -17.949
  373   2HZ   LYS  45          2HZ       LYS  45  -5.436  10.062 -19.007
  374   3HZ   LYS  45          3HZ       LYS  45  -5.560  10.303 -17.337
  375    H    HIS  46           H        HIS  46  -1.411   7.219 -12.477
  376    HA   HIS  46           HA       HIS  46  -4.064   6.459 -11.456
  377   1HB   HIS  46          2HB       HIS  46  -3.016   4.094 -11.447
  378   2HB   HIS  46          1HB       HIS  46  -3.525   4.788 -12.980
  379    HD1  HIS  46           1HD      HIS  46  -0.269   4.936 -11.002
  380    HD2  HIS  46           2HD      HIS  46  -1.674   4.192 -14.844
  381    HE1  HIS  46           1HE      HIS  46   1.782   4.486 -12.400
  382    HE2  HIS  46           2HE      HIS  46   0.908   4.102 -14.733
  383    HA   PRO  47           HA       PRO  47  -1.629   6.810  -7.616
  384   1HB   PRO  47          2HB       PRO  47  -3.240   8.474  -6.321
  385   2HB   PRO  47          1HB       PRO  47  -2.119   9.059  -7.547
  386   1HG   PRO  47          2HG       PRO  47  -5.057   8.798  -7.661
  387   2HG   PRO  47          1HG       PRO  47  -3.993   9.865  -8.592
  388   1HD   PRO  47          2HD       PRO  47  -5.128   7.344  -9.393
  389   2HD   PRO  47          1HD       PRO  47  -4.066   8.412 -10.332
  390    H    MET  48           H        MET  48  -2.314   4.612  -7.500
  391    HA   MET  48           HA       MET  48  -4.818   3.751  -6.539
  392   1HB   MET  48          2HB       MET  48  -2.375   2.546  -7.349
  393   2HB   MET  48          1HB       MET  48  -2.805   1.880  -5.780
  394   1HG   MET  48          2HG       MET  48  -3.659   0.596  -7.728
  395   2HG   MET  48          1HG       MET  48  -4.902   1.114  -6.591
  396   1HE   MET  48          1HE       MET  48  -6.081   0.383  -9.781
  397   2HE   MET  48          2HE       MET  48  -7.291   1.549  -9.242
  398   3HE   MET  48          3HE       MET  48  -6.540   0.455  -8.077
  399    H    ASP  49           H        ASP  49  -5.280   5.124  -4.786
  400    HA   ASP  49           HA       ASP  49  -3.723   5.382  -2.457
  401   1HB   ASP  49          2HB       ASP  49  -6.701   5.666  -2.862
  402   2HB   ASP  49          1HB       ASP  49  -5.843   6.140  -1.399
  403    H    PHE  50           H        PHE  50  -4.503   4.631  -0.257
  404    HA   PHE  50           HA       PHE  50  -4.325   1.844  -0.084
  405   1HB   PHE  50          2HB       PHE  50  -5.235   3.897   1.936
  406   2HB   PHE  50          1HB       PHE  50  -5.052   2.189   2.319
  407    HD1  PHE  50           2HD      PHE  50  -3.158   5.110   1.001
  408    HD2  PHE  50           1HD      PHE  50  -2.998   1.362   3.012
  409    HE1  PHE  50           2HE      PHE  50  -0.778   5.477   1.487
  410    HE2  PHE  50           1HE      PHE  50  -0.616   1.727   3.501
  411    HZ   PHE  50           HZ       PHE  50   0.496   3.786   2.741
  412    H    SER  51           H        SER  51  -7.139   3.950  -0.260
  413    HA   SER  51           HA       SER  51  -9.044   1.956   0.504
  414   1HB   SER  51          2HB       SER  51  -9.834   4.137   0.802
  415   2HB   SER  51          1HB       SER  51  -9.230   4.675  -0.763
  416    HG   SER  51           HG       SER  51 -10.941   3.784  -1.749
  417    H    THR  52           H        THR  52  -7.832   3.179  -2.599
  418    HA   THR  52           HA       THR  52  -9.592   1.757  -4.266
  419    HB   THR  52           HB       THR  52  -6.814   2.203  -5.229
  420    HG1  THR  52           1HG      THR  52  -8.540   4.355  -4.558
  421   1HG2  THR  52          1HG2      THR  52  -9.050   1.681  -6.550
  422   2HG2  THR  52          2HG2      THR  52  -7.763   2.682  -7.221
  423   3HG2  THR  52          3HG2      THR  52  -9.180   3.439  -6.495
  424    H    MET  53           H        MET  53  -6.325   0.939  -3.117
  425    HA   MET  53           HA       MET  53  -6.202  -1.567  -4.424
  426   1HB   MET  53          2HB       MET  53  -4.288  -2.030  -2.937
  427   2HB   MET  53          1HB       MET  53  -4.176  -0.449  -3.697
  428   1HG   MET  53          2HG       MET  53  -5.140   0.499  -1.563
  429   2HG   MET  53          1HG       MET  53  -4.873  -1.089  -0.849
  430   1HE   MET  53          1HE       MET  53  -1.256  -1.628  -0.647
  431   2HE   MET  53          2HE       MET  53  -1.604  -1.668  -2.375
  432   3HE   MET  53          3HE       MET  53  -2.767  -2.330  -1.226
  433    H    LYS  54           H        LYS  54  -7.180  -0.641  -1.126
  434    HA   LYS  54           HA       LYS  54  -7.496  -3.219  -0.080
  435   1HB   LYS  54          2HB       LYS  54  -8.204  -0.528   0.701
  436   2HB   LYS  54          1HB       LYS  54  -9.502  -1.644   1.096
  437   1HG   LYS  54          2HG       LYS  54  -6.724  -2.410   1.820
  438   2HG   LYS  54          1HG       LYS  54  -7.531  -1.161   2.772
  439   1HD   LYS  54          2HD       LYS  54  -9.297  -2.636   3.365
  440   2HD   LYS  54          1HD       LYS  54  -8.770  -3.844   2.191
  441   1HE   LYS  54          2HE       LYS  54  -6.841  -4.368   3.463
  442   2HE   LYS  54          1HE       LYS  54  -7.057  -2.958   4.500
  443   1HZ   LYS  54          1HZ       LYS  54  -7.740  -5.209   5.418
  444   2HZ   LYS  54          2HZ       LYS  54  -9.076  -5.115   4.385
  445   3HZ   LYS  54          3HZ       LYS  54  -8.851  -3.944   5.585
  446    H    GLU  55           H        GLU  55  -9.825  -1.158  -1.805
  447    HA   GLU  55           HA       GLU  55 -12.027  -2.906  -1.552
  448   1HB   GLU  55          2HB       GLU  55 -11.499  -0.398  -2.767
  449   2HB   GLU  55          1HB       GLU  55 -12.185  -1.437  -4.010
  450   1HG   GLU  55          2HG       GLU  55 -14.034  -0.404  -3.069
  451   2HG   GLU  55          1HG       GLU  55 -13.996  -1.983  -2.289
  452    H    LYS  56           H        LYS  56  -9.433  -2.657  -3.916
  453    HA   LYS  56           HA       LYS  56 -10.509  -4.515  -5.771
  454   1HB   LYS  56          2HB       LYS  56  -8.035  -3.005  -5.429
  455   2HB   LYS  56          1HB       LYS  56  -7.759  -4.605  -6.102
  456   1HG   LYS  56          2HG       LYS  56  -8.041  -2.915  -7.841
  457   2HG   LYS  56          1HG       LYS  56  -9.304  -4.144  -7.912
  458   1HD   LYS  56          2HD       LYS  56 -10.725  -2.410  -7.995
  459   2HD   LYS  56          1HD       LYS  56 -10.422  -2.266  -6.263
  460   1HE   LYS  56          2HE       LYS  56  -9.592  -0.235  -6.597
  461   2HE   LYS  56          1HE       LYS  56  -8.308  -0.938  -7.578
  462   1HZ   LYS  56          1HZ       LYS  56 -10.836   0.296  -8.435
  463   2HZ   LYS  56          2HZ       LYS  56 -10.119  -0.879  -9.419
  464   3HZ   LYS  56          3HZ       LYS  56  -9.271   0.532  -9.032
  465    H    ILE  57           H        ILE  57  -8.247  -4.842  -3.037
  466    HA   ILE  57           HA       ILE  57  -7.525  -7.518  -3.459
  467    HB   ILE  57           HB       ILE  57  -7.828  -6.152  -0.776
  468   1HG1  ILE  57          2HG1      ILE  57  -5.167  -6.473  -2.051
  469   2HG1  ILE  57          1HG1      ILE  57  -6.224  -5.252  -2.749
  470   1HG2  ILE  57          1HG2      ILE  57  -7.520  -8.325  -0.163
  471   2HG2  ILE  57          2HG2      ILE  57  -5.834  -7.858  -0.381
  472   3HG2  ILE  57          3HG2      ILE  57  -6.675  -8.744  -1.654
  473   1HD1  ILE  57          1HD1      ILE  57  -4.623  -5.115  -0.402
  474   2HD1  ILE  57          2HD1      ILE  57  -6.317  -4.914   0.044
  475   3HD1  ILE  57          3HD1      ILE  57  -5.591  -3.853  -1.163
  476    H    LYS  58           H        LYS  58 -10.289  -6.116  -1.738
  477    HA   LYS  58           HA       LYS  58 -11.300  -8.474  -0.615
  478   1HB   LYS  58          2HB       LYS  58 -12.017  -5.860  -0.525
  479   2HB   LYS  58          1HB       LYS  58 -13.291  -6.503  -1.553
  480   1HG   LYS  58          2HG       LYS  58 -12.974  -8.268   0.644
  481   2HG   LYS  58          1HG       LYS  58 -13.052  -6.620   1.270
  482   1HD   LYS  58          2HD       LYS  58 -15.138  -6.232   0.129
  483   2HD   LYS  58          1HD       LYS  58 -15.033  -7.800  -0.677
  484   1HE   LYS  58          2HE       LYS  58 -14.846  -8.569   1.904
  485   2HE   LYS  58          1HE       LYS  58 -15.844  -7.126   2.080
  486   1HZ   LYS  58          1HZ       LYS  58 -16.570  -9.059   0.001
  487   2HZ   LYS  58          2HZ       LYS  58 -17.561  -8.063   0.940
  488   3HZ   LYS  58          3HZ       LYS  58 -16.899  -9.465   1.610
  489    H    ASN  59           H        ASN  59 -11.415  -7.295  -3.897
  490    HA   ASN  59           HA       ASN  59 -13.426  -9.288  -4.650
  491   1HB   ASN  59          2HB       ASN  59 -12.330  -6.813  -5.908
  492   2HB   ASN  59          1HB       ASN  59 -12.964  -8.071  -6.962
  493   1HD2  ASN  59          1HD2      ASN  59 -13.721  -5.501  -4.862
  494   2HD2  ASN  59          2HD2      ASN  59 -15.441  -5.651  -4.922
  495    H    ASN  60           H        ASN  60 -10.511  -9.840  -3.927
  496    HA   ASN  60           HA       ASN  60  -8.869 -11.263  -4.560
  497   1HB   ASN  60          2HB       ASN  60 -11.239 -12.266  -5.776
  498   2HB   ASN  60          1HB       ASN  60  -9.925 -12.446  -6.933
  499   1HD2  ASN  60          1HD2      ASN  60 -10.495 -12.878  -3.451
  500   2HD2  ASN  60          2HD2      ASN  60  -9.659 -14.384  -3.335
  501    H    ASP  61           H        ASP  61  -9.254  -8.543  -5.861
  502    HA   ASP  61           HA       ASP  61  -8.108  -8.765  -8.477
  503   1HB   ASP  61          2HB       ASP  61  -9.514  -6.826  -7.598
  504   2HB   ASP  61          1HB       ASP  61  -8.079  -6.316  -6.713
  505    H    TYR  62           H        TYR  62  -6.911  -8.239  -5.219
  506    HA   TYR  62           HA       TYR  62  -4.165  -8.507  -6.237
  507   1HB   TYR  62          2HB       TYR  62  -5.123  -6.772  -3.949
  508   2HB   TYR  62          1HB       TYR  62  -3.430  -7.051  -4.351
  509    HD1  TYR  62           1HD      TYR  62  -2.929  -6.604  -6.980
  510    HD2  TYR  62           2HD      TYR  62  -6.031  -4.799  -4.694
  511    HE1  TYR  62           1HE      TYR  62  -3.030  -4.751  -8.589
  512    HE2  TYR  62           2HE      TYR  62  -6.138  -2.936  -6.293
  513    HH   TYR  62           HH       TYR  62  -4.641  -3.044  -9.339
  514    H    GLN  63           H        GLN  63  -3.499 -10.455  -5.717
  515    HA   GLN  63           HA       GLN  63  -3.751 -11.366  -2.954
  516   1HB   GLN  63          2HB       GLN  63  -5.448 -12.385  -4.785
  517   2HB   GLN  63          1HB       GLN  63  -4.075 -13.454  -5.044
  518   1HG   GLN  63          2HG       GLN  63  -4.323 -14.486  -3.054
  519   2HG   GLN  63          1HG       GLN  63  -4.886 -13.027  -2.240
  520   1HE2  GLN  63          1HE2      GLN  63  -5.933 -15.267  -4.796
  521   2HE2  GLN  63          2HE2      GLN  63  -7.586 -15.328  -4.298
  522    H    SER  64           H        SER  64  -1.698 -10.288  -4.910
  523    HA   SER  64           HA       SER  64   0.324 -12.361  -4.458
  524   1HB   SER  64          2HB       SER  64   0.538 -10.509  -6.812
  525   2HB   SER  64          1HB       SER  64   1.236 -12.112  -6.586
  526    HG   SER  64           HG       SER  64  -1.348 -11.385  -7.388
  527    H    ILE  65           H        ILE  65   2.043 -11.654  -3.405
  528    HA   ILE  65           HA       ILE  65   2.161  -9.213  -2.129
  529    HB   ILE  65           HB       ILE  65   4.658  -9.722  -1.879
  530   1HG1  ILE  65          2HG1      ILE  65   3.870 -12.423  -2.955
  531   2HG1  ILE  65          1HG1      ILE  65   4.655 -11.212  -3.963
  532   1HG2  ILE  65          1HG2      ILE  65   2.875 -10.245  -0.235
  533   2HG2  ILE  65          2HG2      ILE  65   4.238 -11.363  -0.189
  534   3HG2  ILE  65          3HG2      ILE  65   2.730 -11.842  -0.969
  535   1HD1  ILE  65          1HD1      ILE  65   5.746 -12.652  -1.575
  536   2HD1  ILE  65          2HD1      ILE  65   6.481 -11.170  -2.189
  537   3HD1  ILE  65          3HD1      ILE  65   6.377 -12.598  -3.222
  538    H    GLU  66           H        GLU  66   3.509 -10.155  -5.254
  539    HA   GLU  66           HA       GLU  66   5.012  -7.769  -5.653
  540   1HB   GLU  66          2HB       GLU  66   3.991  -9.869  -7.564
  541   2HB   GLU  66          1HB       GLU  66   4.979  -8.508  -8.074
  542   1HG   GLU  66          2HG       GLU  66   6.850  -9.276  -6.911
  543   2HG   GLU  66          1HG       GLU  66   5.894 -10.368  -5.911
  544    H    GLU  67           H        GLU  67   1.735  -8.796  -6.539
  545    HA   GLU  67           HA       GLU  67   1.128  -6.507  -8.121
  546   1HB   GLU  67          2HB       GLU  67  -0.481  -8.692  -6.832
  547   2HB   GLU  67          1HB       GLU  67  -1.296  -7.304  -7.545
  548   1HG   GLU  67          2HG       GLU  67   0.729  -8.727  -9.181
  549   2HG   GLU  67          1HG       GLU  67  -0.832  -9.503  -8.917
  550    H    LEU  68           H        LEU  68   0.398  -7.450  -4.791
  551    HA   LEU  68           HA       LEU  68  -1.039  -5.161  -4.033
  552   1HB   LEU  68          2HB       LEU  68  -0.896  -7.344  -2.811
  553   2HB   LEU  68          1HB       LEU  68   0.714  -6.892  -2.291
  554    HG   LEU  68           HG       LEU  68  -1.517  -5.022  -1.674
  555   1HD1  LEU  68          1HD1      LEU  68  -2.577  -6.325  -0.195
  556   2HD1  LEU  68          2HD1      LEU  68  -1.080  -7.074   0.361
  557   3HD1  LEU  68          3HD1      LEU  68  -1.872  -7.665  -1.100
  558   1HD2  LEU  68          1HD2      LEU  68   1.197  -5.649  -0.737
  559   2HD2  LEU  68          2HD2      LEU  68   0.032  -5.282   0.535
  560   3HD2  LEU  68          3HD2      LEU  68   0.325  -4.116  -0.754
  561    H    LYS  69           H        LYS  69   2.414  -5.907  -3.970
  562    HA   LYS  69           HA       LYS  69   3.253  -3.596  -2.576
  563   1HB   LYS  69          2HB       LYS  69   4.568  -5.687  -4.227
  564   2HB   LYS  69          1HB       LYS  69   5.438  -4.173  -4.027
  565   1HG   LYS  69          2HG       LYS  69   5.606  -4.434  -1.711
  566   2HG   LYS  69          1HG       LYS  69   4.341  -5.663  -1.671
  567   1HD   LYS  69          2HD       LYS  69   6.418  -6.788  -1.376
  568   2HD   LYS  69          1HD       LYS  69   5.868  -7.139  -3.015
  569   1HE   LYS  69          2HE       LYS  69   7.346  -4.888  -3.409
  570   2HE   LYS  69          1HE       LYS  69   8.222  -5.651  -2.082
  571   1HZ   LYS  69          1HZ       LYS  69   8.957  -6.291  -4.371
  572   2HZ   LYS  69          2HZ       LYS  69   7.481  -7.091  -4.566
  573   3HZ   LYS  69          3HZ       LYS  69   8.561  -7.590  -3.364
  574    H    ASP  70           H        ASP  70   2.783  -4.288  -6.011
  575    HA   ASP  70           HA       ASP  70   3.930  -1.952  -7.051
  576   1HB   ASP  70          2HB       ASP  70   2.540  -4.180  -8.073
  577   2HB   ASP  70          1HB       ASP  70   1.649  -2.762  -8.617
  578    H    ASN  71           H        ASN  71   0.623  -2.608  -5.935
  579    HA   ASN  71           HA       ASN  71  -0.472  -0.115  -6.733
  580   1HB   ASN  71          2HB       ASN  71  -1.337  -2.464  -5.245
  581   2HB   ASN  71          1HB       ASN  71  -1.972  -0.980  -4.544
  582   1HD2  ASN  71          1HD2      ASN  71  -1.298  -1.800  -7.930
  583   2HD2  ASN  71          2HD2      ASN  71  -2.922  -1.580  -8.476
  584    H    PHE  72           H        PHE  72   0.701  -1.284  -3.571
  585    HA   PHE  72           HA       PHE  72   0.251   1.140  -2.182
  586   1HB   PHE  72          2HB       PHE  72   0.506  -0.908  -0.939
  587   2HB   PHE  72          1HB       PHE  72   2.104  -1.186  -1.617
  588    HD1  PHE  72           2HD      PHE  72   0.714   1.958  -0.186
  589    HD2  PHE  72           1HD      PHE  72   3.481  -1.250   0.253
  590    HE1  PHE  72           2HE      PHE  72   1.734   3.098   1.737
  591    HE2  PHE  72           1HE      PHE  72   4.498  -0.110   2.182
  592    HZ   PHE  72           HZ       PHE  72   3.623   2.066   2.924
  593    H    LYS  73           H        LYS  73   3.106  -0.199  -3.787
  594    HA   LYS  73           HA       LYS  73   4.875   1.897  -3.115
  595   1HB   LYS  73          2HB       LYS  73   5.437  -0.441  -3.998
  596   2HB   LYS  73          1HB       LYS  73   5.084   0.200  -5.596
  597   1HG   LYS  73          2HG       LYS  73   7.034   1.277  -5.722
  598   2HG   LYS  73          1HG       LYS  73   6.932   1.856  -4.058
  599   1HD   LYS  73          2HD       LYS  73   8.335   0.271  -3.361
  600   2HD   LYS  73          1HD       LYS  73   7.354  -0.992  -4.105
  601   1HE   LYS  73          2HE       LYS  73   9.310   0.709  -5.640
  602   2HE   LYS  73          1HE       LYS  73   9.737  -0.839  -4.911
  603   1HZ   LYS  73          1HZ       LYS  73   7.484  -0.570  -6.816
  604   2HZ   LYS  73          2HZ       LYS  73   8.279  -1.979  -6.328
  605   3HZ   LYS  73          3HZ       LYS  73   9.067  -0.870  -7.332
  606    H    LEU  74           H        LEU  74   2.640   1.408  -5.819
  607    HA   LEU  74           HA       LEU  74   3.562   3.478  -7.471
  608   1HB   LEU  74          2HB       LEU  74   1.123   1.859  -7.247
  609   2HB   LEU  74          1HB       LEU  74   0.848   3.459  -7.914
  610    HG   LEU  74           HG       LEU  74   3.030   1.738  -9.036
  611   1HD1  LEU  74          1HD1      LEU  74   0.272   1.641 -10.183
  612   2HD1  LEU  74          2HD1      LEU  74   0.728   0.536  -8.884
  613   3HD1  LEU  74          3HD1      LEU  74   1.622   0.527 -10.403
  614   1HD2  LEU  74          1HD2      LEU  74   1.206   3.784 -10.287
  615   2HD2  LEU  74          2HD2      LEU  74   2.612   3.023 -11.029
  616   3HD2  LEU  74          3HD2      LEU  74   2.820   4.123  -9.667
  617    H    MET  75           H        MET  75   1.066   3.512  -4.915
  618    HA   MET  75           HA       MET  75   0.459   6.262  -5.249
  619   1HB   MET  75          2HB       MET  75  -0.758   4.276  -3.905
  620   2HB   MET  75          1HB       MET  75   0.062   5.071  -2.569
  621   1HG   MET  75          2HG       MET  75  -1.153   7.079  -4.175
  622   2HG   MET  75          1HG       MET  75  -2.343   5.816  -3.865
  623   1HE   MET  75          1HE       MET  75   0.339   8.090  -2.279
  624   2HE   MET  75          2HE       MET  75   0.615   6.638  -1.316
  625   3HE   MET  75          3HE       MET  75  -0.067   8.078  -0.564
  626    H    CYS  76           H        CYS  76   2.613   4.538  -3.007
  627    HA   CYS  76           HA       CYS  76   3.417   6.761  -1.496
  628   1HB   CYS  76          2HB       CYS  76   4.473   4.029  -1.972
  629   2HB   CYS  76          1HB       CYS  76   5.612   5.211  -1.344
  630    HG   CYS  76           HG       CYS  76   4.084   3.766   0.471
  631    H    THR  77           H        THR  77   4.958   5.267  -4.347
  632    HA   THR  77           HA       THR  77   7.057   7.178  -4.498
  633    HB   THR  77           HB       THR  77   5.995   5.442  -6.735
  634    HG1  THR  77           1HG      THR  77   6.975   3.810  -5.843
  635   1HG2  THR  77          1HG2      THR  77   8.047   7.332  -6.743
  636   2HG2  THR  77          2HG2      THR  77   7.719   6.092  -7.955
  637   3HG2  THR  77          3HG2      THR  77   8.844   5.761  -6.637
  638    H    ASN  78           H        ASN  78   3.859   6.943  -5.992
  639    HA   ASN  78           HA       ASN  78   4.214   9.130  -7.774
  640   1HB   ASN  78          2HB       ASN  78   1.810   7.641  -6.749
  641   2HB   ASN  78          1HB       ASN  78   1.638   9.061  -7.764
  642   1HD2  ASN  78          1HD2      ASN  78   0.596   6.786  -8.693
  643   2HD2  ASN  78          2HD2      ASN  78   1.553   6.138  -9.974
  644    H    ALA  79           H        ALA  79   3.060   8.814  -4.467
  645    HA   ALA  79           HA       ALA  79   2.018  11.456  -4.255
  646   1HB   ALA  79          1HB       ALA  79   2.152  10.988  -1.774
  647   2HB   ALA  79          2HB       ALA  79   2.814   9.409  -2.198
  648   3HB   ALA  79          3HB       ALA  79   1.190   9.853  -2.721
  649    H    MET  80           H        MET  80   5.123   9.957  -3.386
  650    HA   MET  80           HA       MET  80   6.205  12.334  -2.240
  651   1HB   MET  80          2HB       MET  80   8.358  11.130  -2.262
  652   2HB   MET  80          1HB       MET  80   7.064  10.177  -1.554
  653   1HG   MET  80          2HG       MET  80   8.112   8.618  -2.853
  654   2HG   MET  80          1HG       MET  80   6.859   9.185  -3.952
  655   1HE   MET  80          1HE       MET  80  10.948  10.760  -3.539
  656   2HE   MET  80          2HE       MET  80  11.210   9.116  -4.118
  657   3HE   MET  80          3HE       MET  80  10.253   9.396  -2.664
  658    H    ILE  81           H        ILE  81   6.262  10.946  -5.490
  659    HA   ILE  81           HA       ILE  81   8.302  12.666  -6.469
  660    HB   ILE  81           HB       ILE  81   7.748  10.575  -7.624
  661   1HG1  ILE  81          2HG1      ILE  81   7.237  11.996  -9.951
  662   2HG1  ILE  81          1HG1      ILE  81   7.977  13.193  -8.892
  663   1HG2  ILE  81          1HG2      ILE  81   5.774  10.297  -8.942
  664   2HG2  ILE  81          2HG2      ILE  81   5.235  11.935  -8.570
  665   3HG2  ILE  81          3HG2      ILE  81   5.290  10.714  -7.299
  666   1HD1  ILE  81          1HD1      ILE  81   9.261  11.277 -10.448
  667   2HD1  ILE  81          2HD1      ILE  81   9.436  10.723  -8.782
  668   3HD1  ILE  81          3HD1      ILE  81   9.983  12.337  -9.239
  669    H    TYR  82           H        TYR  82   4.720  12.829  -6.688
  670    HA   TYR  82           HA       TYR  82   4.741  15.309  -8.087
  671   1HB   TYR  82          2HB       TYR  82   2.802  13.795  -8.162
  672   2HB   TYR  82          1HB       TYR  82   2.524  14.060  -6.443
  673    HD1  TYR  82           1HD      TYR  82   3.277  16.407  -9.253
  674    HD2  TYR  82           2HD      TYR  82   0.564  15.265  -6.183
  675    HE1  TYR  82           1HE      TYR  82   1.874  18.351  -9.782
  676    HE2  TYR  82           2HE      TYR  82  -0.849  17.207  -6.706
  677    HH   TYR  82           HH       TYR  82  -0.569  18.994  -9.506
  678    H    ASN  83           H        ASN  83   4.913  14.453  -4.703
  679    HA   ASN  83           HA       ASN  83   4.564  17.253  -3.936
  680   1HB   ASN  83          2HB       ASN  83   3.429  15.058  -2.847
  681   2HB   ASN  83          1HB       ASN  83   4.887  15.140  -1.866
  682   1HD2  ASN  83          1HD2      ASN  83   1.767  15.977  -1.898
  683   2HD2  ASN  83          2HD2      ASN  83   1.809  17.393  -0.911
  684    H    LYS  84           H        LYS  84   6.058  16.665  -1.423
  685    HA   LYS  84           HA       LYS  84   8.692  15.911  -1.783
  686   1HB   LYS  84          2HB       LYS  84   8.107  18.449  -3.020
  687   2HB   LYS  84          1HB       LYS  84   9.234  18.685  -1.692
  688   1HG   LYS  84          2HG       LYS  84  10.725  17.002  -2.669
  689   2HG   LYS  84          1HG       LYS  84   9.596  16.793  -4.009
  690   1HD   LYS  84          2HD       LYS  84   9.953  19.487  -4.036
  691   2HD   LYS  84          1HD       LYS  84  11.537  18.937  -3.484
  692   1HE   LYS  84          2HE       LYS  84  11.636  19.058  -5.853
  693   2HE   LYS  84          1HE       LYS  84  11.557  17.349  -5.427
  694   1HZ   LYS  84          1HZ       LYS  84   9.022  18.702  -5.954
  695   2HZ   LYS  84          2HZ       LYS  84   9.505  17.125  -6.330
  696   3HZ   LYS  84          3HZ       LYS  84  10.027  18.420  -7.286
  697    HA   PRO  85           HA       PRO  85   8.985  16.772   2.552
  698   1HB   PRO  85          2HB       PRO  85  11.449  18.384   2.257
  699   2HB   PRO  85          1HB       PRO  85  11.198  16.870   3.128
  700   1HG   PRO  85          2HG       PRO  85  12.578  16.946   0.839
  701   2HG   PRO  85          1HG       PRO  85  11.526  15.576   1.237
  702   1HD   PRO  85          2HD       PRO  85  11.027  17.876  -0.613
  703   2HD   PRO  85          1HD       PRO  85  10.628  16.159  -0.819
  704    H    GLU  86           H        GLU  86   7.114  18.237   2.164
  705    HA   GLU  86           HA       GLU  86   7.771  21.076   2.499
  706   1HB   GLU  86          2HB       GLU  86   5.541  19.591   1.262
  707   2HB   GLU  86          1HB       GLU  86   5.087  21.053   2.126
  708   1HG   GLU  86          2HG       GLU  86   7.330  21.708   0.560
  709   2HG   GLU  86          1HG       GLU  86   6.249  20.769  -0.465
  710    H    THR  87           H        THR  87   5.316  18.772   3.737
  711    HA   THR  87           HA       THR  87   5.690  19.844   6.426
  712    HB   THR  87           HB       THR  87   3.211  20.137   6.659
  713    HG1  THR  87           1HG      THR  87   3.068  19.069   4.352
  714   1HG2  THR  87          1HG2      THR  87   4.655  21.980   4.774
  715   2HG2  THR  87          2HG2      THR  87   4.506  22.133   6.526
  716   3HG2  THR  87          3HG2      THR  87   3.087  22.332   5.498
  717    H    ILE  88           H        ILE  88   6.493  17.593   6.483
  718    HA   ILE  88           HA       ILE  88   6.338  15.430   7.176
  719    HB   ILE  88           HB       ILE  88   3.512  16.088   8.014
  720   1HG1  ILE  88          2HG1      ILE  88   5.676  16.234  10.020
  721   2HG1  ILE  88          1HG1      ILE  88   5.700  17.513   8.812
  722   1HG2  ILE  88          1HG2      ILE  88   5.383  13.857   8.513
  723   2HG2  ILE  88          2HG2      ILE  88   3.621  13.870   8.443
  724   3HG2  ILE  88          3HG2      ILE  88   4.450  14.423   9.898
  725   1HD1  ILE  88          1HD1      ILE  88   4.250  17.519  11.127
  726   2HD1  ILE  88          2HD1      ILE  88   3.053  17.040   9.926
  727   3HD1  ILE  88          3HD1      ILE  88   3.952  18.544   9.723
  728    H    TYR  89           H        TYR  89   4.663  16.509   4.558
  729    HA   TYR  89           HA       TYR  89   2.960  14.280   4.020
  730   1HB   TYR  89          2HB       TYR  89   3.795  16.741   2.625
  731   2HB   TYR  89          1HB       TYR  89   3.490  15.373   1.561
  732    HD1  TYR  89           2HD      TYR  89   1.904  17.153   4.442
  733    HD2  TYR  89           1HD      TYR  89   1.345  15.043   0.789
  734    HE1  TYR  89           2HE      TYR  89  -0.508  17.606   4.558
  735    HE2  TYR  89           1HE      TYR  89  -1.070  15.492   0.895
  736    HH   TYR  89           HH       TYR  89  -2.446  17.759   2.603
  737    H    TYR  90           H        TYR  90   6.170  15.311   2.954
  738    HA   TYR  90           HA       TYR  90   6.697  13.119   1.255
  739   1HB   TYR  90          2HB       TYR  90   7.946  15.371   1.467
  740   2HB   TYR  90          1HB       TYR  90   8.835  14.597   2.775
  741    HD1  TYR  90           2HD      TYR  90   7.941  14.145  -0.816
  742    HD2  TYR  90           1HD      TYR  90  10.730  13.326   2.291
  743    HE1  TYR  90           2HE      TYR  90   9.473  13.150  -2.460
  744    HE2  TYR  90           1HE      TYR  90  12.269  12.330   0.656
  745    HH   TYR  90           HH       TYR  90  12.220  12.813  -2.450
  746    H    LYS  91           H        LYS  91   7.572  13.718   4.654
  747    HA   LYS  91           HA       LYS  91   8.905  11.252   5.034
  748   1HB   LYS  91          2HB       LYS  91   9.006  13.382   6.483
  749   2HB   LYS  91          1HB       LYS  91   7.539  12.774   7.240
  750   1HG   LYS  91          2HG       LYS  91   8.923  10.599   7.571
  751   2HG   LYS  91          1HG       LYS  91  10.308  11.661   7.318
  752   1HD   LYS  91          2HD       LYS  91   9.984  11.621   9.645
  753   2HD   LYS  91          1HD       LYS  91   9.290  13.154   9.110
  754   1HE   LYS  91          2HE       LYS  91   7.078  11.792   8.964
  755   2HE   LYS  91          1HE       LYS  91   7.910  10.663  10.033
  756   1HZ   LYS  91          1HZ       LYS  91   7.853  12.110  11.755
  757   2HZ   LYS  91          2HZ       LYS  91   6.487  12.684  10.938
  758   3HZ   LYS  91          3HZ       LYS  91   7.967  13.486  10.778
  759    H    ALA  92           H        ALA  92   5.541  12.241   5.371
  760    HA   ALA  92           HA       ALA  92   4.567  10.037   6.802
  761   1HB   ALA  92          1HB       ALA  92   3.093  11.837   6.616
  762   2HB   ALA  92          2HB       ALA  92   2.379  10.608   5.573
  763   3HB   ALA  92          3HB       ALA  92   3.289  11.942   4.866
  764    H    ALA  93           H        ALA  93   4.912  10.543   3.299
  765    HA   ALA  93           HA       ALA  93   3.792   8.042   2.549
  766   1HB   ALA  93          1HB       ALA  93   4.050  10.095   1.087
  767   2HB   ALA  93          2HB       ALA  93   4.463   8.550   0.344
  768   3HB   ALA  93          3HB       ALA  93   5.741   9.632   0.898
  769    H    LYS  94           H        LYS  94   7.154   9.155   2.953
  770    HA   LYS  94           HA       LYS  94   8.382   6.741   2.164
  771   1HB   LYS  94          2HB       LYS  94   9.241   9.187   3.615
  772   2HB   LYS  94          1HB       LYS  94  10.240   7.754   3.812
  773   1HG   LYS  94          2HG       LYS  94   9.966   7.744   1.144
  774   2HG   LYS  94          1HG       LYS  94   9.835   9.476   1.455
  775   1HD   LYS  94          2HD       LYS  94  12.089   9.391   1.328
  776   2HD   LYS  94          1HD       LYS  94  11.952   8.875   3.011
  777   1HE   LYS  94          2HE       LYS  94  13.429   7.357   1.922
  778   2HE   LYS  94          1HE       LYS  94  11.907   6.509   2.190
  779   1HZ   LYS  94          1HZ       LYS  94  13.098   6.390  -0.106
  780   2HZ   LYS  94          2HZ       LYS  94  12.339   7.876  -0.376
  781   3HZ   LYS  94          3HZ       LYS  94  11.412   6.504  -0.032
  782    H    LYS  95           H        LYS  95   7.440   7.958   5.368
  783    HA   LYS  95           HA       LYS  95   8.486   5.845   6.889
  784   1HB   LYS  95          2HB       LYS  95   7.492   8.136   7.631
  785   2HB   LYS  95          1HB       LYS  95   5.963   7.270   7.675
  786   1HG   LYS  95          2HG       LYS  95   8.337   6.172   9.115
  787   2HG   LYS  95          1HG       LYS  95   7.398   7.487   9.824
  788   1HD   LYS  95          2HD       LYS  95   5.383   6.145   9.727
  789   2HD   LYS  95          1HD       LYS  95   6.255   4.847   8.909
  790   1HE   LYS  95          2HE       LYS  95   6.771   3.983  10.885
  791   2HE   LYS  95          1HE       LYS  95   7.698   5.436  11.255
  792   1HZ   LYS  95          1HZ       LYS  95   5.929   6.373  12.395
  793   2HZ   LYS  95          2HZ       LYS  95   5.832   4.746  12.842
  794   3HZ   LYS  95          3HZ       LYS  95   4.775   5.366  11.675
  795    H    LEU  96           H        LEU  96   5.285   6.276   5.404
  796    HA   LEU  96           HA       LEU  96   4.109   3.936   6.439
  797   1HB   LEU  96          2HB       LEU  96   3.328   6.029   4.744
  798   2HB   LEU  96          1HB       LEU  96   3.144   4.576   3.783
  799    HG   LEU  96           HG       LEU  96   1.075   5.256   4.975
  800   1HD1  LEU  96          1HD1      LEU  96   0.712   3.092   4.591
  801   2HD1  LEU  96          2HD1      LEU  96   1.103   2.851   6.292
  802   3HD1  LEU  96          3HD1      LEU  96   2.350   2.641   5.063
  803   1HD2  LEU  96          1HD2      LEU  96   2.710   5.767   7.095
  804   2HD2  LEU  96          2HD2      LEU  96   1.994   4.222   7.554
  805   3HD2  LEU  96          3HD2      LEU  96   0.958   5.600   7.184
  806    H    LEU  97           H        LEU  97   5.957   4.541   3.475
  807    HA   LEU  97           HA       LEU  97   5.633   2.076   2.219
  808   1HB   LEU  97          2HB       LEU  97   6.811   4.221   1.395
  809   2HB   LEU  97          1HB       LEU  97   8.239   3.577   2.182
  810    HG   LEU  97           HG       LEU  97   6.784   1.854   0.223
  811   1HD1  LEU  97          1HD1      LEU  97   6.920   3.626  -1.215
  812   2HD1  LEU  97          2HD1      LEU  97   8.512   2.905  -1.452
  813   3HD1  LEU  97          3HD1      LEU  97   8.328   4.316  -0.411
  814   1HD2  LEU  97          1HD2      LEU  97   9.569   2.130   1.282
  815   2HD2  LEU  97          2HD2      LEU  97   9.273   1.316  -0.254
  816   3HD2  LEU  97          3HD2      LEU  97   8.529   0.706   1.224
  817    H    HIS  98           H        HIS  98   8.059   3.081   4.620
  818    HA   HIS  98           HA       HIS  98   9.523   0.685   4.673
  819   1HB   HIS  98          2HB       HIS  98   9.240   3.046   6.449
  820   2HB   HIS  98          1HB       HIS  98   9.877   1.583   7.192
  821    HD1  HIS  98           1HD      HIS  98  10.871   4.450   5.189
  822    HD2  HIS  98           2HD      HIS  98  12.271   0.588   5.824
  823    HE1  HIS  98           1HE      HIS  98  13.247   4.452   4.366
  824    HE2  HIS  98           2HE      HIS  98  14.093   2.121   4.815
  825    H    SER  99           H        SER  99   6.715   1.749   6.562
  826    HA   SER  99           HA       SER  99   6.575  -0.442   8.313
  827   1HB   SER  99          2HB       SER  99   4.162   1.057   7.282
  828   2HB   SER  99          1HB       SER  99   4.375   0.286   8.853
  829    HG   SER  99           HG       SER  99   5.325   2.736   7.922
  830    H    GLY 100           H        GLY 100   5.117   0.097   5.119
  831   1HA   GLY 100          2HA       GLY 100   3.593  -2.270   5.029
  832   2HA   GLY 100          1HA       GLY 100   4.141  -1.354   3.632
  833    H    MET 101           H        MET 101   6.961  -1.633   4.164
  834    HA   MET 101           HA       MET 101   7.443  -4.078   2.841
  835   1HB   MET 101          2HB       MET 101   9.154  -1.959   4.066
  836   2HB   MET 101          1HB       MET 101   9.894  -3.495   3.642
  837   1HG   MET 101          2HG       MET 101   8.855  -3.158   1.336
  838   2HG   MET 101          1HG       MET 101   8.586  -1.491   1.844
  839   1HE   MET 101          1HE       MET 101  12.526  -3.560   0.866
  840   2HE   MET 101          2HE       MET 101  10.939  -4.293   1.088
  841   3HE   MET 101          3HE       MET 101  11.921  -3.878   2.492
  842    H    LYS 102           H        LYS 102   8.054  -3.080   6.216
  843    HA   LYS 102           HA       LYS 102   9.177  -5.516   7.049
  844   1HB   LYS 102          2HB       LYS 102   8.640  -4.773   9.353
  845   2HB   LYS 102          1HB       LYS 102   9.462  -3.547   8.402
  846   1HG   LYS 102          2HG       LYS 102   7.616  -2.189   8.299
  847   2HG   LYS 102          1HG       LYS 102   6.487  -3.524   8.534
  848   1HD   LYS 102          2HD       LYS 102   6.344  -2.749  10.637
  849   2HD   LYS 102          1HD       LYS 102   7.880  -3.588  10.867
  850   1HE   LYS 102          2HE       LYS 102   9.119  -1.633  10.715
  851   2HE   LYS 102          1HE       LYS 102   7.844  -0.774   9.852
  852   1HZ   LYS 102          1HZ       LYS 102   6.612  -1.245  12.147
  853   2HZ   LYS 102          2HZ       LYS 102   7.548   0.138  11.881
  854   3HZ   LYS 102          3HZ       LYS 102   8.204  -1.179  12.713
  855    H    ILE 103           H        ILE 103   5.813  -4.439   6.903
  856    HA   ILE 103           HA       ILE 103   4.773  -6.723   8.279
  857    HB   ILE 103           HB       ILE 103   3.294  -4.847   6.432
  858   1HG1  ILE 103          2HG1      ILE 103   3.219  -4.655   9.421
  859   2HG1  ILE 103          1HG1      ILE 103   4.564  -3.929   8.550
  860   1HG2  ILE 103          1HG2      ILE 103   2.397  -6.862   8.475
  861   2HG2  ILE 103          2HG2      ILE 103   1.979  -6.779   6.765
  862   3HG2  ILE 103          3HG2      ILE 103   1.349  -5.572   7.886
  863   1HD1  ILE 103          1HD1      ILE 103   2.860  -2.680   7.188
  864   2HD1  ILE 103          2HD1      ILE 103   2.965  -2.230   8.891
  865   3HD1  ILE 103          3HD1      ILE 103   1.647  -3.259   8.331
  866    H    LEU 104           H        LEU 104   5.312  -5.880   4.889
  867    HA   LEU 104           HA       LEU 104   3.901  -8.021   3.729
  868   1HB   LEU 104          2HB       LEU 104   5.680  -5.945   2.854
  869   2HB   LEU 104          1HB       LEU 104   6.134  -7.459   2.097
  870    HG   LEU 104           HG       LEU 104   3.252  -6.890   2.016
  871   1HD1  LEU 104          1HD1      LEU 104   3.406  -5.213   0.271
  872   2HD1  LEU 104          2HD1      LEU 104   5.161  -5.174   0.435
  873   3HD1  LEU 104          3HD1      LEU 104   4.138  -4.619   1.761
  874   1HD2  LEU 104          1HD2      LEU 104   3.821  -8.684   0.715
  875   2HD2  LEU 104          2HD2      LEU 104   5.380  -8.003   0.256
  876   3HD2  LEU 104          3HD2      LEU 104   3.899  -7.394  -0.485
  877    H    SER 105           H        SER 105   7.124  -7.816   5.110
  878    HA   SER 105           HA       SER 105   8.241 -10.147   4.039
  879   1HB   SER 105          2HB       SER 105   8.784  -8.433   6.402
  880   2HB   SER 105          1HB       SER 105   9.446 -10.068   6.448
  881    HG   SER 105           HG       SER 105   9.826  -8.203   4.339
  882    H    GLN 106           H        GLN 106   6.019  -9.688   6.729
  883    HA   GLN 106           HA       GLN 106   6.263 -12.197   7.954
  884   1HB   GLN 106          2HB       GLN 106   3.994 -10.230   7.756
  885   2HB   GLN 106          1HB       GLN 106   3.803 -11.758   8.606
  886   1HG   GLN 106          2HG       GLN 106   4.874 -11.002  10.395
  887   2HG   GLN 106          1HG       GLN 106   6.204 -10.371   9.426
  888   1HE2  GLN 106          1HE2      GLN 106   6.413  -8.477  10.562
  889   2HE2  GLN 106          2HE2      GLN 106   5.228  -7.220  10.526
  890    H    GLU 107           H        GLU 107   4.404 -11.157   5.140
  891    HA   GLU 107           HA       GLU 107   2.773 -13.406   4.809
  892   1HB   GLU 107          2HB       GLU 107   3.926 -11.449   2.824
  893   2HB   GLU 107          1HB       GLU 107   2.820 -12.733   2.349
  894   1HG   GLU 107          2HG       GLU 107   1.883 -11.122   4.599
  895   2HG   GLU 107          1HG       GLU 107   2.107 -10.214   3.107
  896    H    ARG 108           H        ARG 108   6.076 -12.771   3.691
  897    HA   ARG 108           HA       ARG 108   6.243 -15.343   2.364
  898   1HB   ARG 108          2HB       ARG 108   7.516 -12.916   2.013
  899   2HB   ARG 108          1HB       ARG 108   8.758 -13.902   2.772
  900   1HG   ARG 108          2HG       ARG 108   7.245 -14.578   0.257
  901   2HG   ARG 108          1HG       ARG 108   8.909 -14.004   0.354
  902   1HD   ARG 108          2HD       ARG 108   9.709 -16.016   1.003
  903   2HD   ARG 108          1HD       ARG 108   8.280 -16.397   1.961
  904    HE   ARG 108           HE       ARG 108   7.369 -17.451   0.141
  905   1HH1  ARG 108          1HH1      ARG 108  10.115 -15.549  -0.918
  906   2HH1  ARG 108          2HH1      ARG 108  10.128 -16.226  -2.510
  907   1HH2  ARG 108          1HH2      ARG 108   7.388 -18.337  -1.963
  908   2HH2  ARG 108          2HH2      ARG 108   8.579 -17.808  -3.106
  909    H    LEU 109           H        LEU 109   7.860 -13.749   5.114
  910    HA   LEU 109           HA       LEU 109   8.983 -16.300   5.963
  911   1HB   LEU 109          2HB       LEU 109  10.028 -13.826   5.998
  912   2HB   LEU 109          1HB       LEU 109   9.330 -13.854   7.605
  913    HG   LEU 109           HG       LEU 109  10.972 -16.203   6.870
  914   1HD1  LEU 109          1HD1      LEU 109  12.130 -13.447   7.214
  915   2HD1  LEU 109          2HD1      LEU 109  12.386 -14.580   5.886
  916   3HD1  LEU 109          3HD1      LEU 109  13.054 -14.926   7.482
  917   1HD2  LEU 109          1HD2      LEU 109  10.347 -14.561   9.275
  918   2HD2  LEU 109          2HD2      LEU 109  11.843 -15.495   9.249
  919   3HD2  LEU 109          3HD2      LEU 109  10.291 -16.310   9.053
  920    H    GLU 110           H        GLU 110   7.335 -17.511   6.790
  921    HA   GLU 110           HA       GLU 110   5.747 -16.340   8.970
  922   1HB   GLU 110          2HB       GLU 110   4.679 -17.425   6.862
  923   2HB   GLU 110          1HB       GLU 110   5.099 -18.948   7.631
  924   1HG   GLU 110          2HG       GLU 110   3.372 -18.828   9.012
  925   2HG   GLU 110          1HG       GLU 110   3.764 -17.173   9.476
  926    H    HIS 111           H        HIS 111   7.020 -19.575   8.107
  927    HA   HIS 111           HA       HIS 111   7.575 -20.024  10.961
  928   1HB   HIS 111          2HB       HIS 111   6.098 -21.591   9.375
  929   2HB   HIS 111          1HB       HIS 111   7.678 -22.274   9.014
  930    HD1  HIS 111           1HD      HIS 111   4.949 -22.748  11.222
  931    HD2  HIS 111           2HD      HIS 111   9.079 -22.911  11.644
  932    HE1  HIS 111           1HE      HIS 111   5.360 -24.102  13.302
  933    HE2  HIS 111           2HE      HIS 111   7.868 -24.242  13.500
  934    H    HIS 112           H        HIS 112   9.564 -20.804  11.642
  935    HA   HIS 112           HA       HIS 112  11.787 -20.214   9.845
  936   1HB   HIS 112          2HB       HIS 112  13.169 -20.440  11.930
  937   2HB   HIS 112          1HB       HIS 112  11.946 -19.175  12.003
  938    HD1  HIS 112           1HD      HIS 112  10.328 -19.280  13.911
  939    HD2  HIS 112           2HD      HIS 112  12.426 -22.835  13.419
  940    HE1  HIS 112           1HE      HIS 112   9.697 -20.711  15.880
  941    HE2  HIS 112           2HE      HIS 112  11.046 -22.821  15.607
  942    H    HIS 113           H        HIS 113  13.700 -21.661   9.865
  943    HA   HIS 113           HA       HIS 113  13.316 -24.414  10.600
  944   1HB   HIS 113          2HB       HIS 113  12.273 -23.781   8.170
  945   2HB   HIS 113          1HB       HIS 113  13.920 -24.201   7.713
  946    HD1  HIS 113           1HD      HIS 113  11.966 -25.928  10.447
  947    HD2  HIS 113           2HD      HIS 113  13.373 -26.658   6.606
  948    HE1  HIS 113           1HE      HIS 113  11.573 -28.378  10.042
  949    HE2  HIS 113           2HE      HIS 113  12.359 -28.780   7.683
  950    H    HIS 114           H        HIS 114  15.191 -23.932  11.818
  951    HA   HIS 114           HA       HIS 114  17.639 -23.251  10.410
  952   1HB   HIS 114          2HB       HIS 114  16.734 -23.318  13.212
  953   2HB   HIS 114          1HB       HIS 114  18.404 -23.823  12.980
  954    HD1  HIS 114           1HD      HIS 114  18.614 -21.484  14.473
  955    HD2  HIS 114           2HD      HIS 114  17.697 -21.146  10.433
  956    HE1  HIS 114           1HE      HIS 114  19.179 -19.115  13.850
  957    HE2  HIS 114           2HE      HIS 114  18.700 -18.960  11.380
  958    H    HIS 115           H        HIS 115  19.648 -24.587  11.264
  959    HA   HIS 115           HA       HIS 115  20.824 -26.536  11.296
  960   1HB   HIS 115          2HB       HIS 115  18.186 -27.966  11.691
  961   2HB   HIS 115          1HB       HIS 115  19.792 -28.605  12.013
  962    HD1  HIS 115           1HD      HIS 115  21.064 -27.555  14.101
  963    HD2  HIS 115           2HD      HIS 115  17.048 -26.542  13.748
  964    HE1  HIS 115           1HE      HIS 115  20.404 -26.629  16.344
  965    HE2  HIS 115           2HE      HIS 115  17.949 -26.104  16.133
  966    H    HIS 116           H        HIS 116  21.229 -28.497   9.977
  967    HA   HIS 116           HA       HIS 116  20.339 -28.026   7.254
  968   1HB   HIS 116          2HB       HIS 116  22.569 -29.525   8.536
  969   2HB   HIS 116          1HB       HIS 116  22.025 -30.082   6.956
  970    HD1  HIS 116           1HD      HIS 116  23.775 -27.251   8.645
  971    HD2  HIS 116           2HD      HIS 116  22.563 -28.332   4.819
  972    HE1  HIS 116           1HE      HIS 116  24.959 -25.666   7.093
  973    HE2  HIS 116           2HE      HIS 116  24.281 -26.398   4.779
  Start of MODEL   18
    1   1H    MET   0          1HT       MET   0  -9.032 -27.911  -6.469
    2   2H    MET   0          2HT       MET   0  -8.051 -27.574  -7.834
    3   3H    MET   0          3HT       MET   0  -8.483 -26.314  -6.756
    4    HA   MET   0           HA       MET   0  -7.210 -27.233  -5.033
    5   1HB   MET   0          2HB       MET   0  -5.834 -29.291  -5.530
    6   2HB   MET   0          1HB       MET   0  -7.563 -29.569  -5.385
    7   1HG   MET   0          2HG       MET   0  -6.598 -29.034  -8.111
    8   2HG   MET   0          1HG       MET   0  -6.022 -30.531  -7.379
    9   1HE   MET   0          1HE       MET   0  -7.731 -30.104  -9.976
   10   2HE   MET   0          2HE       MET   0  -8.955 -28.973  -9.401
   11   3HE   MET   0          3HE       MET   0  -9.418 -30.607  -9.873
   12    H    GLU   1           H        GLU   1  -5.078 -26.598  -4.783
   13    HA   GLU   1           HA       GLU   1  -3.127 -25.554  -5.239
   14   1HB   GLU   1          2HB       GLU   1  -3.500 -27.293  -7.585
   15   2HB   GLU   1          1HB       GLU   1  -2.416 -25.931  -7.839
   16   1HG   GLU   1          2HG       GLU   1  -0.818 -26.784  -6.517
   17   2HG   GLU   1          1HG       GLU   1  -1.975 -27.414  -5.344
   18    H    GLU   2           H        GLU   2  -5.951 -24.505  -6.293
   19    HA   GLU   2           HA       GLU   2  -4.919 -21.928  -7.052
   20   1HB   GLU   2          2HB       GLU   2  -6.056 -23.782  -9.050
   21   2HB   GLU   2          1HB       GLU   2  -6.697 -22.147  -9.095
   22   1HG   GLU   2          2HG       GLU   2  -4.242 -21.405  -9.098
   23   2HG   GLU   2          1HG       GLU   2  -3.890 -23.076  -9.532
   24    H    VAL   3           H        VAL   3  -6.677 -23.270  -5.000
   25    HA   VAL   3           HA       VAL   3  -8.884 -21.351  -5.181
   26    HB   VAL   3           HB       VAL   3  -9.307 -24.180  -4.212
   27   1HG1  VAL   3          1HG1      VAL   3 -11.737 -23.379  -4.795
   28   2HG1  VAL   3          2HG1      VAL   3 -11.031 -21.777  -4.581
   29   3HG1  VAL   3          3HG1      VAL   3 -10.990 -22.943  -3.257
   30   1HG2  VAL   3          1HG2      VAL   3 -10.127 -23.050  -6.885
   31   2HG2  VAL   3          2HG2      VAL   3 -10.379 -24.694  -6.300
   32   3HG2  VAL   3          3HG2      VAL   3  -8.747 -24.120  -6.640
   33    H    GLU   4           H        GLU   4  -6.241 -22.051  -3.524
   34    HA   GLU   4           HA       GLU   4  -7.436 -21.785  -0.861
   35   1HB   GLU   4          2HB       GLU   4  -4.933 -22.956  -1.904
   36   2HB   GLU   4          1HB       GLU   4  -4.778 -22.074  -0.390
   37   1HG   GLU   4          2HG       GLU   4  -7.018 -23.627   0.006
   38   2HG   GLU   4          1HG       GLU   4  -5.941 -24.675  -0.918
   39    H    GLN   5           H        GLN   5  -6.938 -19.640  -3.045
   40    HA   GLN   5           HA       GLN   5  -4.998 -17.884  -1.872
   41   1HB   GLN   5          2HB       GLN   5  -7.089 -17.483  -4.009
   42   2HB   GLN   5          1HB       GLN   5  -6.001 -16.205  -3.482
   43   1HG   GLN   5          2HG       GLN   5  -4.141 -17.229  -4.382
   44   2HG   GLN   5          1HG       GLN   5  -4.894 -18.824  -4.378
   45   1HE2  GLN   5          1HE2      GLN   5  -4.778 -19.401  -6.455
   46   2HE2  GLN   5          2HE2      GLN   5  -5.455 -18.508  -7.768
   47    H    THR   6           H        THR   6  -8.290 -18.590  -1.230
   48    HA   THR   6           HA       THR   6  -9.370 -16.209  -0.382
   49    HB   THR   6           HB       THR   6 -10.245 -18.078   1.510
   50    HG1  THR   6           1HG      THR   6 -10.013 -19.978   0.672
   51   1HG2  THR   6          1HG2      THR   6 -11.325 -16.618  -0.616
   52   2HG2  THR   6          2HG2      THR   6 -12.188 -17.509   0.637
   53   3HG2  THR   6          3HG2      THR   6 -11.780 -18.300  -0.886
   54    HA   PRO   7           HA       PRO   7  -7.590 -17.017   4.157
   55   1HB   PRO   7          2HB       PRO   7  -5.156 -18.383   3.957
   56   2HB   PRO   7          1HB       PRO   7  -6.669 -19.036   4.578
   57   1HG   PRO   7          2HG       PRO   7  -5.445 -19.330   1.885
   58   2HG   PRO   7          1HG       PRO   7  -6.388 -20.499   2.824
   59   1HD   PRO   7          2HD       PRO   7  -7.455 -19.195   0.745
   60   2HD   PRO   7          1HD       PRO   7  -8.414 -19.555   2.197
   61    H    LEU   8           H        LEU   8  -5.395 -16.883   1.379
   62    HA   LEU   8           HA       LEU   8  -3.432 -15.206   2.441
   63   1HB   LEU   8          2HB       LEU   8  -4.103 -16.270  -0.109
   64   2HB   LEU   8          1HB       LEU   8  -3.848 -14.548  -0.309
   65    HG   LEU   8           HG       LEU   8  -1.667 -15.164   1.160
   66   1HD1  LEU   8          1HD1      LEU   8  -1.666 -17.486  -0.676
   67   2HD1  LEU   8          2HD1      LEU   8  -2.584 -17.643   0.820
   68   3HD1  LEU   8          3HD1      LEU   8  -0.863 -17.264   0.879
   69   1HD2  LEU   8          1HD2      LEU   8  -2.053 -14.090  -1.207
   70   2HD2  LEU   8          2HD2      LEU   8  -1.520 -15.673  -1.771
   71   3HD2  LEU   8          3HD2      LEU   8  -0.468 -14.706  -0.739
   72    H    GLN   9           H        GLN   9  -6.566 -14.441   1.009
   73    HA   GLN   9           HA       GLN   9  -6.268 -11.661   0.742
   74   1HB   GLN   9          2HB       GLN   9  -8.128 -12.976  -0.236
   75   2HB   GLN   9          1HB       GLN   9  -8.784 -13.217   1.376
   76   1HG   GLN   9          2HG       GLN   9  -9.143 -10.827   1.609
   77   2HG   GLN   9          1HG       GLN   9  -8.439 -10.555   0.016
   78   1HE2  GLN   9          1HE2      GLN   9  -9.938 -10.129  -1.440
   79   2HE2  GLN   9          2HE2      GLN   9 -11.505 -10.851  -1.532
   80    H    GLU  10           H        GLU  10  -7.337 -13.651   3.473
   81    HA   GLU  10           HA       GLU  10  -8.146 -11.590   5.189
   82   1HB   GLU  10          2HB       GLU  10  -8.651 -13.965   5.581
   83   2HB   GLU  10          1HB       GLU  10  -6.952 -14.278   5.903
   84   1HG   GLU  10          2HG       GLU  10  -7.968 -14.143   8.005
   85   2HG   GLU  10          1HG       GLU  10  -7.143 -12.603   7.791
   86    H    ALA  11           H        ALA  11  -4.981 -13.182   4.830
   87    HA   ALA  11           HA       ALA  11  -3.642 -11.728   6.847
   88   1HB   ALA  11          1HB       ALA  11  -2.825 -13.435   4.566
   89   2HB   ALA  11          2HB       ALA  11  -2.383 -13.530   6.269
   90   3HB   ALA  11          3HB       ALA  11  -1.608 -12.340   5.225
   91    H    LEU  12           H        LEU  12  -4.067 -11.167   3.378
   92    HA   LEU  12           HA       LEU  12  -2.381  -8.964   3.080
   93   1HB   LEU  12          2HB       LEU  12  -3.915 -10.398   1.402
   94   2HB   LEU  12          1HB       LEU  12  -4.924  -8.973   1.556
   95    HG   LEU  12           HG       LEU  12  -2.081  -8.432   0.998
   96   1HD1  LEU  12          1HD1      LEU  12  -3.596  -9.203  -1.404
   97   2HD1  LEU  12          2HD1      LEU  12  -3.045 -10.532  -0.384
   98   3HD1  LEU  12          3HD1      LEU  12  -1.882  -9.378  -1.033
   99   1HD2  LEU  12          1HD2      LEU  12  -4.672  -7.214   0.651
  100   2HD2  LEU  12          2HD2      LEU  12  -3.761  -7.205  -0.859
  101   3HD2  LEU  12          3HD2      LEU  12  -3.068  -6.482   0.593
  102    H    ASN  13           H        ASN  13  -5.832  -9.081   3.961
  103    HA   ASN  13           HA       ASN  13  -6.228  -6.291   4.104
  104   1HB   ASN  13          2HB       ASN  13  -7.682  -8.429   5.676
  105   2HB   ASN  13          1HB       ASN  13  -8.253  -6.795   5.360
  106   1HD2  ASN  13          1HD2      ASN  13  -9.346  -9.487   4.695
  107   2HD2  ASN  13          2HD2      ASN  13  -9.631  -9.439   2.993
  108    H    GLN  14           H        GLN  14  -5.016  -8.636   6.432
  109    HA   GLN  14           HA       GLN  14  -5.144  -6.996   8.725
  110   1HB   GLN  14          2HB       GLN  14  -3.445  -9.380   8.011
  111   2HB   GLN  14          1HB       GLN  14  -3.281  -8.554   9.554
  112   1HG   GLN  14          2HG       GLN  14  -5.542  -9.077  10.144
  113   2HG   GLN  14          1HG       GLN  14  -5.853  -9.736   8.538
  114   1HE2  GLN  14          1HE2      GLN  14  -5.325 -11.808   8.107
  115   2HE2  GLN  14          2HE2      GLN  14  -4.603 -12.886   9.245
  116    H    LEU  15           H        LEU  15  -2.534  -7.584   6.371
  117    HA   LEU  15           HA       LEU  15  -0.599  -5.957   7.609
  118   1HB   LEU  15          2HB       LEU  15  -0.994  -7.003   4.837
  119   2HB   LEU  15          1HB       LEU  15   0.227  -5.777   5.115
  120    HG   LEU  15           HG       LEU  15   1.288  -7.269   6.800
  121   1HD1  LEU  15          1HD1      LEU  15   0.641  -9.525   7.058
  122   2HD1  LEU  15          2HD1      LEU  15  -0.520  -9.421   5.735
  123   3HD1  LEU  15          3HD1      LEU  15  -0.830  -8.570   7.248
  124   1HD2  LEU  15          1HD2      LEU  15   2.296  -7.272   4.686
  125   2HD2  LEU  15          2HD2      LEU  15   0.964  -8.164   3.953
  126   3HD2  LEU  15          3HD2      LEU  15   2.060  -8.977   5.070
  127    H    MET  16           H        MET  16  -3.078  -5.230   5.184
  128    HA   MET  16           HA       MET  16  -2.309  -2.552   4.696
  129   1HB   MET  16          2HB       MET  16  -5.086  -3.729   4.473
  130   2HB   MET  16          1HB       MET  16  -4.492  -2.278   3.676
  131   1HG   MET  16          2HG       MET  16  -3.056  -4.823   3.161
  132   2HG   MET  16          1HG       MET  16  -4.651  -4.609   2.439
  133   1HE   MET  16          1HE       MET  16  -0.768  -3.760   1.468
  134   2HE   MET  16          2HE       MET  16  -1.281  -3.307   3.093
  135   3HE   MET  16          3HE       MET  16  -0.950  -2.058   1.892
  136    H    ARG  17           H        ARG  17  -4.577  -4.016   6.994
  137    HA   ARG  17           HA       ARG  17  -5.589  -1.589   8.033
  138   1HB   ARG  17          2HB       ARG  17  -5.509  -4.412   9.059
  139   2HB   ARG  17          1HB       ARG  17  -6.129  -3.105  10.061
  140   1HG   ARG  17          2HG       ARG  17  -7.878  -2.641   8.519
  141   2HG   ARG  17          1HG       ARG  17  -7.172  -3.709   7.304
  142   1HD   ARG  17          2HD       ARG  17  -9.077  -4.762   8.396
  143   2HD   ARG  17          1HD       ARG  17  -7.585  -5.634   8.747
  144    HE   ARG  17           HE       ARG  17  -7.825  -3.954  10.855
  145   1HH1  ARG  17          1HH1      ARG  17 -10.021  -6.253   9.386
  146   2HH1  ARG  17          2HH1      ARG  17 -10.843  -6.601  10.868
  147   1HH2  ARG  17          1HH2      ARG  17  -8.910  -4.423  12.809
  148   2HH2  ARG  17          2HH2      ARG  17 -10.212  -5.563  12.810
  149    H    GLN  18           H        GLN  18  -2.911  -3.695   9.048
  150    HA   GLN  18           HA       GLN  18  -2.233  -2.331  11.403
  151   1HB   GLN  18          2HB       GLN  18  -0.944  -4.289   9.629
  152   2HB   GLN  18          1HB       GLN  18   0.183  -3.259  10.502
  153   1HG   GLN  18          2HG       GLN  18  -0.426  -4.085  12.550
  154   2HG   GLN  18          1HG       GLN  18  -2.036  -4.553  12.004
  155   1HE2  GLN  18          1HE2      GLN  18  -1.862  -6.235  10.107
  156   2HE2  GLN  18          2HE2      GLN  18  -0.838  -7.583  10.450
  157    H    LEU  19           H        LEU  19  -1.153  -1.860   8.053
  158    HA   LEU  19           HA       LEU  19   0.722   0.184   8.601
  159   1HB   LEU  19          2HB       LEU  19  -0.725  -0.764   6.166
  160   2HB   LEU  19          1HB       LEU  19   0.133   0.764   6.099
  161    HG   LEU  19           HG       LEU  19   1.640  -1.573   7.138
  162   1HD1  LEU  19          1HD1      LEU  19   0.957  -2.819   5.378
  163   2HD1  LEU  19          2HD1      LEU  19   2.185  -1.872   4.539
  164   3HD1  LEU  19          3HD1      LEU  19   0.486  -1.415   4.420
  165   1HD2  LEU  19          1HD2      LEU  19   3.480  -0.471   6.175
  166   2HD2  LEU  19          2HD2      LEU  19   2.491   0.806   6.878
  167   3HD2  LEU  19          3HD2      LEU  19   2.453   0.518   5.139
  168    H    GLN  20           H        GLN  20  -2.724   0.244   7.787
  169    HA   GLN  20           HA       GLN  20  -2.942   3.059   7.559
  170   1HB   GLN  20          2HB       GLN  20  -4.758   0.761   7.588
  171   2HB   GLN  20          1HB       GLN  20  -5.457   2.211   8.294
  172   1HG   GLN  20          2HG       GLN  20  -4.077   2.772   5.811
  173   2HG   GLN  20          1HG       GLN  20  -5.343   1.563   5.611
  174   1HE2  GLN  20          1HE2      GLN  20  -4.959   4.549   7.516
  175   2HE2  GLN  20          2HE2      GLN  20  -6.456   5.253   7.016
  176    H    ARG  21           H        ARG  21  -3.282   0.822  10.261
  177    HA   ARG  21           HA       ARG  21  -4.373   2.648  12.122
  178   1HB   ARG  21          2HB       ARG  21  -4.280   0.097  12.260
  179   2HB   ARG  21          1HB       ARG  21  -2.631   0.300  12.835
  180   1HG   ARG  21          2HG       ARG  21  -4.074   2.011  14.445
  181   2HG   ARG  21          1HG       ARG  21  -5.151   0.628  14.238
  182   1HD   ARG  21          2HD       ARG  21  -2.586  -0.435  14.679
  183   2HD   ARG  21          1HD       ARG  21  -2.781   0.868  15.847
  184    HE   ARG  21           HE       ARG  21  -4.366  -0.380  16.936
  185   1HH1  ARG  21          1HH1      ARG  21  -3.765  -1.815  13.795
  186   2HH1  ARG  21          2HH1      ARG  21  -4.677  -3.247  14.138
  187   1HH2  ARG  21          1HH2      ARG  21  -5.573  -2.267  17.379
  188   2HH2  ARG  21          2HH2      ARG  21  -5.706  -3.502  16.172
  189    H    LYS  22           H        LYS  22  -1.206   2.385  10.831
  190    HA   LYS  22           HA       LYS  22   0.468   3.106  12.881
  191   1HB   LYS  22          2HB       LYS  22   0.484   3.806   9.956
  192   2HB   LYS  22          1HB       LYS  22   1.738   4.404  11.033
  193   1HG   LYS  22          2HG       LYS  22   1.074   1.486  10.772
  194   2HG   LYS  22          1HG       LYS  22   2.268   2.299   9.757
  195   1HD   LYS  22          2HD       LYS  22   3.563   2.908  11.711
  196   2HD   LYS  22          1HD       LYS  22   2.336   2.215  12.774
  197   1HE   LYS  22          2HE       LYS  22   2.809   0.015  12.037
  198   2HE   LYS  22          1HE       LYS  22   3.778   0.600  10.684
  199   1HZ   LYS  22          1HZ       LYS  22   4.656   1.372  13.357
  200   2HZ   LYS  22          2HZ       LYS  22   5.568   0.946  11.996
  201   3HZ   LYS  22          3HZ       LYS  22   4.844  -0.258  12.939
  202    H    ASP  23           H        ASP  23  -0.667   5.553  10.546
  203    HA   ASP  23           HA       ASP  23  -2.001   7.328  12.029
  204   1HB   ASP  23          2HB       ASP  23   0.698   7.242  13.030
  205   2HB   ASP  23          1HB       ASP  23   0.340   8.839  12.394
  206    HA   PRO  24           HA       PRO  24   0.493   9.818   8.621
  207   1HB   PRO  24          2HB       PRO  24   1.947   7.578   7.354
  208   2HB   PRO  24          1HB       PRO  24   2.515   9.198   7.766
  209   1HG   PRO  24          2HG       PRO  24   3.298   7.059   9.169
  210   2HG   PRO  24          1HG       PRO  24   2.994   8.621   9.952
  211   1HD   PRO  24          2HD       PRO  24   1.276   6.181   9.876
  212   2HD   PRO  24          1HD       PRO  24   1.597   7.301  11.214
  213    H    SER  25           H        SER  25  -0.521   6.468   8.100
  214    HA   SER  25           HA       SER  25  -1.313   6.665   5.418
  215   1HB   SER  25          2HB       SER  25  -1.214   4.623   7.192
  216   2HB   SER  25          1HB       SER  25  -2.952   4.922   7.162
  217    HG   SER  25           HG       SER  25  -2.925   4.619   4.930
  218    H    ALA  26           H        ALA  26  -2.821   7.860   8.309
  219    HA   ALA  26           HA       ALA  26  -5.497   7.983   7.609
  220   1HB   ALA  26          1HB       ALA  26  -4.444   8.637   9.806
  221   2HB   ALA  26          2HB       ALA  26  -5.736   9.690   9.231
  222   3HB   ALA  26          3HB       ALA  26  -4.054  10.187   9.060
  223    H    PHE  27           H        PHE  27  -2.819   9.966   6.488
  224    HA   PHE  27           HA       PHE  27  -4.415  12.011   5.300
  225   1HB   PHE  27          2HB       PHE  27  -1.536  11.188   4.906
  226   2HB   PHE  27          1HB       PHE  27  -2.270  12.547   4.061
  227    HD1  PHE  27           1HD      PHE  27  -1.255  11.262   7.360
  228    HD2  PHE  27           2HD      PHE  27  -2.670  14.615   5.156
  229    HE1  PHE  27           1HE      PHE  27  -0.757  12.724   9.274
  230    HE2  PHE  27           2HE      PHE  27  -2.173  16.084   7.065
  231    HZ   PHE  27           HZ       PHE  27  -1.215  15.140   9.127
  232    H    PHE  28           H        PHE  28  -2.795   9.100   4.027
  233    HA   PHE  28           HA       PHE  28  -4.139   9.509   1.448
  234   1HB   PHE  28          2HB       PHE  28  -1.938   7.580   2.225
  235   2HB   PHE  28          1HB       PHE  28  -2.618   7.746   0.610
  236    HD1  PHE  28           1HD      PHE  28  -2.698  10.401  -0.100
  237    HD2  PHE  28           2HD      PHE  28   0.126   8.526   2.472
  238    HE1  PHE  28           1HE      PHE  28  -1.071  12.172  -0.601
  239    HE2  PHE  28           2HE      PHE  28   1.763  10.294   1.973
  240    HZ   PHE  28           HZ       PHE  28   1.163  12.123   0.435
  241    H    SER  29           H        SER  29  -5.696   8.727   3.694
  242    HA   SER  29           HA       SER  29  -6.245   5.890   3.351
  243   1HB   SER  29          2HB       SER  29  -6.187   6.865   5.626
  244   2HB   SER  29          1HB       SER  29  -7.534   7.917   5.197
  245    HG   SER  29           HG       SER  29  -7.683   5.091   5.031
  246    H    PHE  30           H        PHE  30  -6.937   8.276   1.412
  247    HA   PHE  30           HA       PHE  30  -9.572   7.225   0.729
  248   1HB   PHE  30          2HB       PHE  30  -9.093   9.865   1.817
  249   2HB   PHE  30          1HB       PHE  30  -9.749   9.976   0.188
  250    HD1  PHE  30           2HD      PHE  30 -10.352   8.204   3.419
  251    HD2  PHE  30           1HD      PHE  30 -12.032   9.916  -0.097
  252    HE1  PHE  30           2HE      PHE  30 -12.610   7.799   4.305
  253    HE2  PHE  30           1HE      PHE  30 -14.292   9.514   0.785
  254    HZ   PHE  30           HZ       PHE  30 -14.584   8.454   2.988
  255    HA   PRO  31           HA       PRO  31  -7.935   7.321  -3.371
  256   1HB   PRO  31          2HB       PRO  31 -10.198   7.715  -4.841
  257   2HB   PRO  31          1HB       PRO  31  -9.790   6.172  -4.081
  258   1HG   PRO  31          2HG       PRO  31 -11.655   8.314  -3.136
  259   2HG   PRO  31          1HG       PRO  31 -11.868   6.554  -3.118
  260   1HD   PRO  31          2HD       PRO  31 -11.152   7.939  -0.915
  261   2HD   PRO  31          1HD       PRO  31 -10.580   6.288  -1.223
  262    H    VAL  32           H        VAL  32  -6.665   9.101  -3.637
  263    HA   VAL  32           HA       VAL  32  -7.398  11.755  -3.483
  264    HB   VAL  32           HB       VAL  32  -5.466  12.029  -5.305
  265   1HG1  VAL  32          1HG1      VAL  32  -3.915  12.191  -3.481
  266   2HG1  VAL  32          2HG1      VAL  32  -4.940  11.174  -2.464
  267   3HG1  VAL  32          3HG1      VAL  32  -5.490  12.780  -2.948
  268   1HG2  VAL  32          1HG2      VAL  32  -4.445   9.573  -4.044
  269   2HG2  VAL  32          2HG2      VAL  32  -4.120  10.250  -5.637
  270   3HG2  VAL  32          3HG2      VAL  32  -5.613   9.359  -5.344
  271    H    THR  33           H        THR  33  -7.919  13.366  -4.961
  272    HA   THR  33           HA       THR  33  -8.698  12.563  -7.656
  273    HB   THR  33           HB       THR  33 -10.692  14.287  -6.333
  274    HG1  THR  33           1HG      THR  33 -11.604  12.698  -5.115
  275   1HG2  THR  33          1HG2      THR  33 -10.605  12.675  -8.594
  276   2HG2  THR  33          2HG2      THR  33 -12.002  13.529  -7.940
  277   3HG2  THR  33          3HG2      THR  33 -11.700  11.852  -7.482
  278    H    ASP  34           H        ASP  34  -9.987  14.920  -8.402
  279    HA   ASP  34           HA       ASP  34  -7.750  16.661  -8.752
  280   1HB   ASP  34          2HB       ASP  34 -10.034  16.124 -10.179
  281   2HB   ASP  34          1HB       ASP  34 -10.375  17.716  -9.514
  282    H    PHE  35           H        PHE  35  -9.864  16.353  -6.193
  283    HA   PHE  35           HA       PHE  35  -9.488  19.170  -5.423
  284   1HB   PHE  35          2HB       PHE  35 -11.826  18.915  -5.830
  285   2HB   PHE  35          1HB       PHE  35 -11.873  17.365  -4.999
  286    HD1  PHE  35           2HD      PHE  35 -11.597  17.308  -2.512
  287    HD2  PHE  35           1HD      PHE  35 -12.145  20.932  -4.672
  288    HE1  PHE  35           2HE      PHE  35 -12.257  18.444  -0.430
  289    HE2  PHE  35           1HE      PHE  35 -12.805  22.074  -2.597
  290    HZ   PHE  35           HZ       PHE  35 -12.863  20.832  -0.471
  291    H    ILE  36           H        ILE  36  -9.915  15.831  -4.317
  292    HA   ILE  36           HA       ILE  36  -9.202  16.242  -1.625
  293    HB   ILE  36           HB       ILE  36  -9.153  13.800  -3.394
  294   1HG1  ILE  36          2HG1      ILE  36 -10.905  14.402  -1.012
  295   2HG1  ILE  36          1HG1      ILE  36 -11.329  14.899  -2.646
  296   1HG2  ILE  36          1HG2      ILE  36  -7.490  13.279  -1.847
  297   2HG2  ILE  36          2HG2      ILE  36  -8.949  12.549  -1.182
  298   3HG2  ILE  36          3HG2      ILE  36  -8.345  14.069  -0.523
  299   1HD1  ILE  36          1HD1      ILE  36 -11.863  12.455  -1.403
  300   2HD1  ILE  36          2HD1      ILE  36 -10.634  12.121  -2.624
  301   3HD1  ILE  36          3HD1      ILE  36 -12.150  12.898  -3.085
  302    H    ALA  37           H        ALA  37  -7.325  15.649  -4.536
  303    HA   ALA  37           HA       ALA  37  -4.827  15.697  -2.973
  304   1HB   ALA  37          1HB       ALA  37  -3.887  14.297  -4.475
  305   2HB   ALA  37          2HB       ALA  37  -4.748  15.007  -5.841
  306   3HB   ALA  37          3HB       ALA  37  -5.565  13.857  -4.784
  307    HA   PRO  38           HA       PRO  38  -3.773  19.607  -4.712
  308   1HB   PRO  38          2HB       PRO  38  -0.970  19.015  -4.899
  309   2HB   PRO  38          1HB       PRO  38  -1.802  19.969  -3.672
  310   1HG   PRO  38          2HG       PRO  38  -0.630  17.507  -3.242
  311   2HG   PRO  38          1HG       PRO  38  -1.879  18.228  -2.219
  312   1HD   PRO  38          2HD       PRO  38  -2.110  16.091  -4.272
  313   2HD   PRO  38          1HD       PRO  38  -3.022  16.321  -2.770
  314    H    GLY  39           H        GLY  39  -3.594  16.928  -6.468
  315   1HA   GLY  39          2HA       GLY  39  -4.013  17.570  -8.926
  316   2HA   GLY  39          1HA       GLY  39  -2.366  18.174  -8.825
  317    H    TYR  40           H        TYR  40  -3.465  15.226  -7.221
  318    HA   TYR  40           HA       TYR  40  -1.367  13.664  -8.239
  319   1HB   TYR  40          2HB       TYR  40  -3.925  13.056  -6.803
  320   2HB   TYR  40          1HB       TYR  40  -3.058  11.726  -7.564
  321    HD1  TYR  40           1HD      TYR  40  -1.925  14.737  -5.654
  322    HD2  TYR  40           2HD      TYR  40  -1.943  10.477  -5.927
  323    HE1  TYR  40           1HE      TYR  40  -0.443  14.605  -3.702
  324    HE2  TYR  40           2HE      TYR  40  -0.466  10.350  -3.973
  325    HH   TYR  40           HH       TYR  40   0.177  13.013  -1.954
  326    H    SER  41           H        SER  41  -4.774  13.908  -9.253
  327    HA   SER  41           HA       SER  41  -4.646  11.984 -11.304
  328   1HB   SER  41          2HB       SER  41  -6.690  13.260 -10.237
  329   2HB   SER  41          1HB       SER  41  -6.424  14.381 -11.572
  330    HG   SER  41           HG       SER  41  -7.750  12.927 -12.449
  331    H    MET  42           H        MET  42  -3.495  15.266 -11.192
  332    HA   MET  42           HA       MET  42  -3.401  15.666 -14.017
  333   1HB   MET  42          2HB       MET  42  -3.408  17.410 -12.076
  334   2HB   MET  42          1HB       MET  42  -1.668  17.163 -12.089
  335   1HG   MET  42          2HG       MET  42  -2.597  17.571 -14.762
  336   2HG   MET  42          1HG       MET  42  -3.185  18.864 -13.719
  337   1HE   MET  42          1HE       MET  42   0.466  16.873 -13.832
  338   2HE   MET  42          2HE       MET  42   1.065  17.988 -15.057
  339   3HE   MET  42          3HE       MET  42  -0.398  17.051 -15.359
  340    H    ILE  43           H        ILE  43  -0.887  14.930 -11.577
  341    HA   ILE  43           HA       ILE  43   0.962  14.319 -13.777
  342    HB   ILE  43           HB       ILE  43   1.451  15.916 -11.734
  343   1HG1  ILE  43          2HG1      ILE  43   3.919  14.633 -11.980
  344   2HG1  ILE  43          1HG1      ILE  43   3.082  14.277 -13.487
  345   1HG2  ILE  43          1HG2      ILE  43   2.755  14.776  -9.984
  346   2HG2  ILE  43          2HG2      ILE  43   2.242  13.225 -10.642
  347   3HG2  ILE  43          3HG2      ILE  43   1.046  14.335  -9.969
  348   1HD1  ILE  43          1HD1      ILE  43   4.355  16.261 -13.790
  349   2HD1  ILE  43          2HD1      ILE  43   3.681  16.983 -12.329
  350   3HD1  ILE  43          3HD1      ILE  43   2.652  16.715 -13.737
  351    H    ILE  44           H        ILE  44  -0.273  12.945 -10.750
  352    HA   ILE  44           HA       ILE  44   0.973  10.379 -11.329
  353    HB   ILE  44           HB       ILE  44  -0.585  11.394  -8.950
  354   1HG1  ILE  44          2HG1      ILE  44   1.629  12.264  -8.977
  355   2HG1  ILE  44          1HG1      ILE  44   1.618  10.949  -7.808
  356   1HG2  ILE  44          1HG2      ILE  44  -1.149   9.073  -9.209
  357   2HG2  ILE  44          2HG2      ILE  44  -0.012   9.238  -7.873
  358   3HG2  ILE  44          3HG2      ILE  44   0.545   8.647  -9.437
  359   1HD1  ILE  44          1HD1      ILE  44   3.495  10.354  -8.874
  360   2HD1  ILE  44          2HD1      ILE  44   3.060  11.215 -10.350
  361   3HD1  ILE  44          3HD1      ILE  44   2.378   9.620 -10.022
  362    H    LYS  45           H        LYS  45  -0.187   9.735 -13.139
  363    HA   LYS  45           HA       LYS  45  -2.874   9.788 -13.623
  364   1HB   LYS  45          2HB       LYS  45  -0.623   8.155 -14.544
  365   2HB   LYS  45          1HB       LYS  45  -2.192   7.385 -14.726
  366   1HG   LYS  45          2HG       LYS  45  -2.394   8.508 -16.626
  367   2HG   LYS  45          1HG       LYS  45  -2.619   9.956 -15.640
  368   1HD   LYS  45          2HD       LYS  45  -0.382  10.601 -15.868
  369   2HD   LYS  45          1HD       LYS  45   0.128   8.986 -16.365
  370   1HE   LYS  45          2HE       LYS  45   0.174  10.292 -18.324
  371   2HE   LYS  45          1HE       LYS  45  -1.292   9.322 -18.435
  372   1HZ   LYS  45          1HZ       LYS  45  -2.249  11.500 -17.250
  373   2HZ   LYS  45          2HZ       LYS  45  -2.195  11.312 -18.930
  374   3HZ   LYS  45          3HZ       LYS  45  -0.991  12.199 -18.141
  375    H    HIS  46           H        HIS  46  -1.176   7.016 -12.104
  376    HA   HIS  46           HA       HIS  46  -3.799   6.195 -11.048
  377   1HB   HIS  46          2HB       HIS  46  -2.870   3.855 -11.053
  378   2HB   HIS  46          1HB       HIS  46  -3.135   4.566 -12.640
  379    HD1  HIS  46           1HD      HIS  46  -0.415   3.452 -10.322
  380    HD2  HIS  46           2HD      HIS  46  -0.822   4.980 -14.164
  381    HE1  HIS  46           1HE      HIS  46   1.829   3.132 -11.412
  382    HE2  HIS  46           2HE      HIS  46   1.596   4.190 -13.688
  383    HA   PRO  47           HA       PRO  47  -1.315   6.645  -7.245
  384   1HB   PRO  47          2HB       PRO  47  -2.964   8.379  -6.013
  385   2HB   PRO  47          1HB       PRO  47  -1.689   8.890  -7.110
  386   1HG   PRO  47          2HG       PRO  47  -4.573   9.022  -7.477
  387   2HG   PRO  47          1HG       PRO  47  -3.300   9.754  -8.467
  388   1HD   PRO  47          2HD       PRO  47  -4.801   7.280  -8.910
  389   2HD   PRO  47          1HD       PRO  47  -3.765   8.177 -10.039
  390    H    MET  48           H        MET  48  -2.112   4.495  -7.033
  391    HA   MET  48           HA       MET  48  -4.682   3.879  -5.974
  392   1HB   MET  48          2HB       MET  48  -2.250   2.095  -5.869
  393   2HB   MET  48          1HB       MET  48  -3.936   1.608  -5.812
  394   1HG   MET  48          2HG       MET  48  -3.322   3.133  -8.199
  395   2HG   MET  48          1HG       MET  48  -2.319   1.693  -8.050
  396   1HE   MET  48          1HE       MET  48  -5.947   3.045  -7.817
  397   2HE   MET  48          2HE       MET  48  -5.979   1.845  -6.525
  398   3HE   MET  48          3HE       MET  48  -6.926   1.588  -7.989
  399    H    ASP  49           H        ASP  49  -4.843   5.277  -4.187
  400    HA   ASP  49           HA       ASP  49  -3.068   5.273  -1.998
  401   1HB   ASP  49          2HB       ASP  49  -5.858   6.244  -2.457
  402   2HB   ASP  49          1HB       ASP  49  -5.245   6.179  -0.807
  403    H    PHE  50           H        PHE  50  -3.942   4.738   0.285
  404    HA   PHE  50           HA       PHE  50  -4.086   1.952   0.511
  405   1HB   PHE  50          2HB       PHE  50  -4.766   4.077   2.548
  406   2HB   PHE  50          1HB       PHE  50  -4.567   2.365   2.911
  407    HD1  PHE  50           2HD      PHE  50  -2.782   5.370   1.671
  408    HD2  PHE  50           1HD      PHE  50  -2.445   1.435   3.255
  409    HE1  PHE  50           2HE      PHE  50  -0.367   5.707   1.976
  410    HE2  PHE  50           1HE      PHE  50  -0.031   1.768   3.566
  411    HZ   PHE  50           HZ       PHE  50   1.013   3.903   2.926
  412    H    SER  51           H        SER  51  -6.651   4.378   0.430
  413    HA   SER  51           HA       SER  51  -8.716   2.593   1.289
  414   1HB   SER  51          2HB       SER  51  -8.519   5.343   0.842
  415   2HB   SER  51          1HB       SER  51  -9.683   4.780  -0.356
  416    HG   SER  51           HG       SER  51  -9.938   5.011   2.346
  417    H    THR  52           H        THR  52  -7.548   3.699  -1.870
  418    HA   THR  52           HA       THR  52  -9.549   2.404  -3.399
  419    HB   THR  52           HB       THR  52  -6.863   2.806  -4.607
  420    HG1  THR  52           1HG      THR  52  -6.732   4.665  -3.595
  421   1HG2  THR  52          1HG2      THR  52  -9.550   2.717  -5.511
  422   2HG2  THR  52          2HG2      THR  52  -8.068   2.865  -6.453
  423   3HG2  THR  52          3HG2      THR  52  -8.889   4.312  -5.870
  424    H    MET  53           H        MET  53  -6.196   1.479  -2.609
  425    HA   MET  53           HA       MET  53  -6.223  -0.984  -3.968
  426   1HB   MET  53          2HB       MET  53  -4.223  -1.529  -2.732
  427   2HB   MET  53          1HB       MET  53  -4.166   0.165  -3.197
  428   1HG   MET  53          2HG       MET  53  -4.976   0.726  -0.893
  429   2HG   MET  53          1HG       MET  53  -4.752  -0.972  -0.477
  430   1HE   MET  53          1HE       MET  53  -1.368  -1.502  -1.888
  431   2HE   MET  53          2HE       MET  53  -2.786  -2.205  -1.111
  432   3HE   MET  53          3HE       MET  53  -1.386  -1.751  -0.143
  433    H    LYS  54           H        LYS  54  -7.049  -0.159  -0.612
  434    HA   LYS  54           HA       LYS  54  -7.387  -2.757   0.374
  435   1HB   LYS  54          2HB       LYS  54  -7.327  -0.653   1.733
  436   2HB   LYS  54          1HB       LYS  54  -8.965  -0.316   1.195
  437   1HG   LYS  54          2HG       LYS  54  -9.825  -2.204   2.345
  438   2HG   LYS  54          1HG       LYS  54  -8.204  -2.823   2.671
  439   1HD   LYS  54          2HD       LYS  54  -7.796  -0.704   3.987
  440   2HD   LYS  54          1HD       LYS  54  -9.524  -0.377   3.834
  441   1HE   LYS  54          2HE       LYS  54  -9.870  -2.707   4.826
  442   2HE   LYS  54          1HE       LYS  54  -8.163  -2.643   5.265
  443   1HZ   LYS  54          1HZ       LYS  54  -9.502  -1.898   7.098
  444   2HZ   LYS  54          2HZ       LYS  54 -10.280  -0.748   6.134
  445   3HZ   LYS  54          3HZ       LYS  54  -8.634  -0.579   6.490
  446    H    GLU  55           H        GLU  55  -9.694  -0.591  -1.236
  447    HA   GLU  55           HA       GLU  55 -11.965  -2.248  -0.979
  448   1HB   GLU  55          2HB       GLU  55 -11.561   0.268  -1.888
  449   2HB   GLU  55          1HB       GLU  55 -11.739  -0.581  -3.417
  450   1HG   GLU  55          2HG       GLU  55 -13.852  -1.588  -2.152
  451   2HG   GLU  55          1HG       GLU  55 -13.721  -0.056  -1.290
  452    H    LYS  56           H        LYS  56  -9.393  -2.078  -3.379
  453    HA   LYS  56           HA       LYS  56 -10.544  -3.852  -5.265
  454   1HB   LYS  56          2HB       LYS  56  -7.957  -2.537  -4.842
  455   2HB   LYS  56          1HB       LYS  56  -7.830  -4.112  -5.609
  456   1HG   LYS  56          2HG       LYS  56  -8.007  -2.716  -7.422
  457   2HG   LYS  56          1HG       LYS  56  -9.684  -3.209  -7.186
  458   1HD   LYS  56          2HD       LYS  56  -8.785  -0.789  -5.738
  459   2HD   LYS  56          1HD       LYS  56  -8.942  -0.655  -7.490
  460   1HE   LYS  56          2HE       LYS  56 -11.251  -1.502  -7.323
  461   2HE   LYS  56          1HE       LYS  56 -11.085  -1.564  -5.569
  462   1HZ   LYS  56          1HZ       LYS  56 -12.159   0.444  -6.005
  463   2HZ   LYS  56          2HZ       LYS  56 -11.161   0.817  -7.319
  464   3HZ   LYS  56          3HZ       LYS  56 -10.550   0.899  -5.743
  465    H    ILE  57           H        ILE  57  -8.274  -4.351  -2.560
  466    HA   ILE  57           HA       ILE  57  -7.735  -7.059  -3.015
  467    HB   ILE  57           HB       ILE  57  -7.934  -5.778  -0.288
  468   1HG1  ILE  57          2HG1      ILE  57  -5.314  -6.039  -1.666
  469   2HG1  ILE  57          1HG1      ILE  57  -6.381  -4.763  -2.238
  470   1HG2  ILE  57          1HG2      ILE  57  -5.910  -7.833  -0.887
  471   2HG2  ILE  57          2HG2      ILE  57  -7.582  -8.385  -0.856
  472   3HG2  ILE  57          3HG2      ILE  57  -6.890  -7.591   0.557
  473   1HD1  ILE  57          1HD1      ILE  57  -4.691  -4.787   0.037
  474   2HD1  ILE  57          2HD1      ILE  57  -6.359  -4.644   0.584
  475   3HD1  ILE  57          3HD1      ILE  57  -5.707  -3.481  -0.571
  476    H    LYS  58           H        LYS  58 -10.406  -5.521  -1.258
  477    HA   LYS  58           HA       LYS  58 -11.517  -7.817  -0.111
  478   1HB   LYS  58          2HB       LYS  58 -12.859  -5.278  -1.051
  479   2HB   LYS  58          1HB       LYS  58 -13.653  -6.511  -0.083
  480   1HG   LYS  58          2HG       LYS  58 -11.320  -5.941   1.312
  481   2HG   LYS  58          1HG       LYS  58 -11.884  -4.374   0.729
  482   1HD   LYS  58          2HD       LYS  58 -13.909  -6.192   1.911
  483   2HD   LYS  58          1HD       LYS  58 -12.741  -5.464   3.014
  484   1HE   LYS  58          2HE       LYS  58 -14.450  -3.908   3.024
  485   2HE   LYS  58          1HE       LYS  58 -13.358  -3.253   1.805
  486   1HZ   LYS  58          1HZ       LYS  58 -15.270  -3.144   0.633
  487   2HZ   LYS  58          2HZ       LYS  58 -16.020  -4.391   1.489
  488   3HZ   LYS  58          3HZ       LYS  58 -14.908  -4.756   0.271
  489    H    ASN  59           H        ASN  59 -11.539  -6.750  -3.424
  490    HA   ASN  59           HA       ASN  59 -13.615  -8.710  -4.115
  491   1HB   ASN  59          2HB       ASN  59 -12.544  -6.249  -5.441
  492   2HB   ASN  59          1HB       ASN  59 -13.257  -7.511  -6.434
  493   1HD2  ASN  59          1HD2      ASN  59 -13.864  -5.129  -3.959
  494   2HD2  ASN  59          2HD2      ASN  59 -15.586  -5.154  -4.087
  495    H    ASN  60           H        ASN  60 -10.664  -9.225  -3.459
  496    HA   ASN  60           HA       ASN  60  -9.037 -10.653  -4.116
  497   1HB   ASN  60          2HB       ASN  60 -11.079 -11.441  -6.194
  498   2HB   ASN  60          1HB       ASN  60  -9.600 -12.326  -5.849
  499   1HD2  ASN  60          1HD2      ASN  60  -9.467 -12.348  -3.177
  500   2HD2  ASN  60          2HD2      ASN  60 -10.827 -13.167  -2.498
  501    H    ASP  61           H        ASP  61  -9.413  -7.918  -5.381
  502    HA   ASP  61           HA       ASP  61  -8.329  -8.163  -8.023
  503   1HB   ASP  61          2HB       ASP  61  -8.618  -5.808  -6.156
  504   2HB   ASP  61          1HB       ASP  61  -7.963  -5.673  -7.776
  505    H    TYR  62           H        TYR  62  -7.062  -7.643  -4.792
  506    HA   TYR  62           HA       TYR  62  -4.334  -7.884  -5.865
  507   1HB   TYR  62          2HB       TYR  62  -5.308  -6.224  -3.533
  508   2HB   TYR  62          1HB       TYR  62  -3.609  -6.532  -3.869
  509    HD1  TYR  62           1HD      TYR  62  -2.910  -5.981  -6.397
  510    HD2  TYR  62           2HD      TYR  62  -6.208  -4.268  -4.321
  511    HE1  TYR  62           1HE      TYR  62  -2.903  -4.081  -7.959
  512    HE2  TYR  62           2HE      TYR  62  -6.204  -2.364  -5.871
  513    HH   TYR  62           HH       TYR  62  -4.844  -2.337  -8.750
  514    H    GLN  63           H        GLN  63  -3.702  -9.877  -5.461
  515    HA   GLN  63           HA       GLN  63  -3.724 -10.870  -2.732
  516   1HB   GLN  63          2HB       GLN  63  -5.770 -11.676  -4.320
  517   2HB   GLN  63          1HB       GLN  63  -4.566 -12.893  -4.725
  518   1HG   GLN  63          2HG       GLN  63  -5.027 -13.997  -2.872
  519   2HG   GLN  63          1HG       GLN  63  -4.610 -12.585  -1.902
  520   1HE2  GLN  63          1HE2      GLN  63  -7.006 -14.730  -2.606
  521   2HE2  GLN  63          2HE2      GLN  63  -8.372 -13.811  -2.088
  522    H    SER  64           H        SER  64  -1.830  -9.944  -4.874
  523    HA   SER  64           HA       SER  64  -0.048 -12.269  -4.810
  524   1HB   SER  64          2HB       SER  64   0.177 -10.385  -7.113
  525   2HB   SER  64          1HB       SER  64   0.496 -12.116  -7.042
  526    HG   SER  64           HG       SER  64  -1.358 -11.776  -8.249
  527    H    ILE  65           H        ILE  65   1.927 -11.838  -4.095
  528    HA   ILE  65           HA       ILE  65   2.566  -9.535  -2.712
  529    HB   ILE  65           HB       ILE  65   4.990 -10.334  -2.979
  530   1HG1  ILE  65          2HG1      ILE  65   4.236 -13.031  -3.636
  531   2HG1  ILE  65          1HG1      ILE  65   3.792 -11.958  -4.957
  532   1HG2  ILE  65          1HG2      ILE  65   3.137 -12.387  -1.833
  533   2HG2  ILE  65          2HG2      ILE  65   3.332 -10.793  -1.104
  534   3HG2  ILE  65          3HG2      ILE  65   4.717 -11.872  -1.244
  535   1HD1  ILE  65          1HD1      ILE  65   6.393 -11.237  -4.144
  536   2HD1  ILE  65          2HD1      ILE  65   5.884 -11.996  -5.653
  537   3HD1  ILE  65          3HD1      ILE  65   6.344 -12.996  -4.275
  538    H    GLU  66           H        GLU  66   3.251 -10.371  -6.072
  539    HA   GLU  66           HA       GLU  66   4.935  -8.144  -6.618
  540   1HB   GLU  66          2HB       GLU  66   4.909 -10.198  -7.992
  541   2HB   GLU  66          1HB       GLU  66   3.272  -9.824  -8.508
  542   1HG   GLU  66          2HG       GLU  66   4.053  -7.821  -9.626
  543   2HG   GLU  66          1HG       GLU  66   5.691  -8.118  -9.050
  544    H    GLU  67           H        GLU  67   1.471  -8.787  -7.074
  545    HA   GLU  67           HA       GLU  67   0.836  -6.350  -8.347
  546   1HB   GLU  67          2HB       GLU  67  -0.778  -8.392  -6.839
  547   2HB   GLU  67          1HB       GLU  67  -1.520  -6.916  -7.445
  548   1HG   GLU  67          2HG       GLU  67   0.018  -8.786  -9.220
  549   2HG   GLU  67          1HG       GLU  67  -1.705  -8.980  -8.898
  550    H    LEU  68           H        LEU  68   0.603  -7.360  -4.937
  551    HA   LEU  68           HA       LEU  68  -0.458  -4.970  -3.917
  552   1HB   LEU  68          2HB       LEU  68   0.954  -7.318  -2.790
  553   2HB   LEU  68          1HB       LEU  68   0.980  -5.862  -1.816
  554    HG   LEU  68           HG       LEU  68  -0.850  -7.162  -1.061
  555   1HD1  LEU  68          1HD1      LEU  68  -1.188  -4.673  -1.486
  556   2HD1  LEU  68          2HD1      LEU  68  -2.633  -5.657  -1.259
  557   3HD1  LEU  68          3HD1      LEU  68  -2.151  -5.162  -2.880
  558   1HD2  LEU  68          1HD2      LEU  68  -1.656  -7.379  -3.956
  559   2HD2  LEU  68          2HD2      LEU  68  -2.653  -7.899  -2.597
  560   3HD2  LEU  68          3HD2      LEU  68  -1.102  -8.678  -2.903
  561    H    LYS  69           H        LYS  69   2.882  -6.020  -4.402
  562    HA   LYS  69           HA       LYS  69   4.118  -3.814  -3.150
  563   1HB   LYS  69          2HB       LYS  69   5.139  -6.075  -3.900
  564   2HB   LYS  69          1HB       LYS  69   5.361  -5.289  -5.455
  565   1HG   LYS  69          2HG       LYS  69   6.333  -3.752  -3.153
  566   2HG   LYS  69          1HG       LYS  69   7.169  -5.280  -3.437
  567   1HD   LYS  69          2HD       LYS  69   6.937  -4.178  -5.965
  568   2HD   LYS  69          1HD       LYS  69   7.278  -2.787  -4.933
  569   1HE   LYS  69          2HE       LYS  69   8.910  -5.217  -4.488
  570   2HE   LYS  69          1HE       LYS  69   9.192  -4.336  -5.988
  571   1HZ   LYS  69          1HZ       LYS  69   9.590  -2.333  -4.697
  572   2HZ   LYS  69          2HZ       LYS  69  10.643  -3.566  -4.215
  573   3HZ   LYS  69          3HZ       LYS  69   9.307  -3.173  -3.254
  574    H    ASP  70           H        ASP  70   3.095  -4.376  -6.494
  575    HA   ASP  70           HA       ASP  70   4.247  -2.077  -7.629
  576   1HB   ASP  70          2HB       ASP  70   2.179  -4.039  -8.405
  577   2HB   ASP  70          1HB       ASP  70   2.049  -2.466  -9.185
  578    H    ASN  71           H        ASN  71   1.002  -2.617  -6.268
  579    HA   ASN  71           HA       ASN  71   0.014  -0.023  -6.805
  580   1HB   ASN  71          2HB       ASN  71  -0.959  -2.410  -5.626
  581   2HB   ASN  71          1HB       ASN  71  -1.228  -1.113  -4.465
  582   1HD2  ASN  71          1HD2      ASN  71  -3.383  -0.890  -4.665
  583   2HD2  ASN  71          2HD2      ASN  71  -4.180  -0.411  -6.118
  584    H    PHE  72           H        PHE  72   1.405  -1.432  -3.837
  585    HA   PHE  72           HA       PHE  72   1.202   0.907  -2.273
  586   1HB   PHE  72          2HB       PHE  72   1.884  -1.634  -1.708
  587   2HB   PHE  72          1HB       PHE  72   3.494  -0.931  -1.794
  588    HD1  PHE  72           2HD      PHE  72   0.205  -0.609  -0.126
  589    HD2  PHE  72           1HD      PHE  72   4.359   0.309  -0.002
  590    HE1  PHE  72           2HE      PHE  72  -0.051   0.217   2.175
  591    HE2  PHE  72           1HE      PHE  72   4.110   1.137   2.303
  592    HZ   PHE  72           HZ       PHE  72   1.903   1.092   3.392
  593    H    LYS  73           H        LYS  73   3.662  -0.287  -4.487
  594    HA   LYS  73           HA       LYS  73   5.655   1.619  -3.879
  595   1HB   LYS  73          2HB       LYS  73   6.135  -0.500  -5.019
  596   2HB   LYS  73          1HB       LYS  73   5.223   0.039  -6.420
  597   1HG   LYS  73          2HG       LYS  73   6.975   1.126  -7.237
  598   2HG   LYS  73          1HG       LYS  73   7.263   1.954  -5.704
  599   1HD   LYS  73          2HD       LYS  73   8.614   0.198  -4.896
  600   2HD   LYS  73          1HD       LYS  73   8.075  -0.906  -6.162
  601   1HE   LYS  73          2HE       LYS  73   9.191   0.511  -7.839
  602   2HE   LYS  73          1HE       LYS  73   9.771   1.559  -6.546
  603   1HZ   LYS  73          1HZ       LYS  73  11.517   0.083  -7.074
  604   2HZ   LYS  73          2HZ       LYS  73  10.503  -1.269  -7.049
  605   3HZ   LYS  73          3HZ       LYS  73  10.877  -0.469  -5.606
  606    H    LEU  74           H        LEU  74   3.216   1.520  -6.519
  607    HA   LEU  74           HA       LEU  74   4.069   3.883  -7.754
  608   1HB   LEU  74          2HB       LEU  74   1.670   4.041  -8.624
  609   2HB   LEU  74          1HB       LEU  74   2.619   2.634  -9.073
  610    HG   LEU  74           HG       LEU  74   1.363   1.645  -6.914
  611   1HD1  LEU  74          1HD1      LEU  74  -0.940   3.060  -8.033
  612   2HD1  LEU  74          2HD1      LEU  74   0.152   4.065  -7.081
  613   3HD1  LEU  74          3HD1      LEU  74  -0.569   2.627  -6.366
  614   1HD2  LEU  74          1HD2      LEU  74  -0.406   0.856  -8.602
  615   2HD2  LEU  74          2HD2      LEU  74   1.281   0.451  -8.915
  616   3HD2  LEU  74          3HD2      LEU  74   0.519   1.779  -9.787
  617    H    MET  75           H        MET  75   1.562   3.470  -5.220
  618    HA   MET  75           HA       MET  75   0.893   6.223  -5.194
  619   1HB   MET  75          2HB       MET  75  -0.333   4.136  -4.129
  620   2HB   MET  75          1HB       MET  75   0.581   4.615  -2.706
  621   1HG   MET  75          2HG       MET  75  -0.680   6.909  -3.927
  622   2HG   MET  75          1HG       MET  75  -1.859   5.644  -3.580
  623   1HE   MET  75          1HE       MET  75   0.195   8.476  -0.812
  624   2HE   MET  75          2HE       MET  75   0.462   8.218  -2.537
  625   3HE   MET  75          3HE       MET  75   1.355   7.262  -1.353
  626    H    CYS  76           H        CYS  76   3.133   4.324  -3.174
  627    HA   CYS  76           HA       CYS  76   3.888   6.402  -1.449
  628   1HB   CYS  76          2HB       CYS  76   5.087   3.806  -2.277
  629   2HB   CYS  76          1HB       CYS  76   6.138   4.963  -1.470
  630    HG   CYS  76           HG       CYS  76   3.606   4.504   0.110
  631    H    THR  77           H        THR  77   5.389   5.301  -4.487
  632    HA   THR  77           HA       THR  77   7.396   7.318  -4.503
  633    HB   THR  77           HB       THR  77   6.317   5.731  -6.843
  634    HG1  THR  77           1HG      THR  77   8.295   5.108  -4.915
  635   1HG2  THR  77          1HG2      THR  77   8.355   6.114  -7.945
  636   2HG2  THR  77          2HG2      THR  77   9.090   6.819  -6.505
  637   3HG2  THR  77          3HG2      THR  77   7.815   7.688  -7.360
  638    H    ASN  78           H        ASN  78   4.159   7.064  -5.897
  639    HA   ASN  78           HA       ASN  78   4.321   9.414  -7.480
  640   1HB   ASN  78          2HB       ASN  78   2.037   7.730  -6.485
  641   2HB   ASN  78          1HB       ASN  78   1.765   9.206  -7.396
  642   1HD2  ASN  78          1HD2      ASN  78   0.874   6.793  -8.358
  643   2HD2  ASN  78          2HD2      ASN  78   1.797   6.344  -9.746
  644    H    ALA  79           H        ALA  79   3.407   8.777  -4.149
  645    HA   ALA  79           HA       ALA  79   2.217  11.324  -3.672
  646   1HB   ALA  79          1HB       ALA  79   2.904   8.964  -2.074
  647   2HB   ALA  79          2HB       ALA  79   1.497  10.023  -1.992
  648   3HB   ALA  79          3HB       ALA  79   3.003  10.493  -1.203
  649    H    MET  80           H        MET  80   5.492  10.013  -3.330
  650    HA   MET  80           HA       MET  80   6.473  12.393  -2.039
  651   1HB   MET  80          2HB       MET  80   8.654  11.345  -2.122
  652   2HB   MET  80          1HB       MET  80   7.456  10.184  -1.570
  653   1HG   MET  80          2HG       MET  80   7.836   8.809  -3.279
  654   2HG   MET  80          1HG       MET  80   7.863  10.121  -4.454
  655   1HE   MET  80          1HE       MET  80  10.098  10.261  -5.913
  656   2HE   MET  80          2HE       MET  80  11.427  10.984  -5.007
  657   3HE   MET  80          3HE       MET  80   9.800  11.651  -4.869
  658    H    ILE  81           H        ILE  81   6.292  11.216  -5.352
  659    HA   ILE  81           HA       ILE  81   8.200  13.058  -6.399
  660    HB   ILE  81           HB       ILE  81   7.599  10.997  -7.609
  661   1HG1  ILE  81          2HG1      ILE  81   7.222  12.164  -9.887
  662   2HG1  ILE  81          1HG1      ILE  81   7.268  13.662  -8.965
  663   1HG2  ILE  81          1HG2      ILE  81   5.167  11.089  -7.102
  664   2HG2  ILE  81          2HG2      ILE  81   5.541  10.751  -8.790
  665   3HG2  ILE  81          3HG2      ILE  81   5.011  12.362  -8.310
  666   1HD1  ILE  81          1HD1      ILE  81   9.433  13.228  -9.888
  667   2HD1  ILE  81          2HD1      ILE  81   9.456  11.611  -9.184
  668   3HD1  ILE  81          3HD1      ILE  81   9.510  13.029  -8.137
  669    H    TYR  82           H        TYR  82   4.606  13.089  -6.262
  670    HA   TYR  82           HA       TYR  82   4.659  15.870  -7.187
  671   1HB   TYR  82          2HB       TYR  82   3.023  14.138  -8.116
  672   2HB   TYR  82          1HB       TYR  82   2.190  14.250  -6.569
  673    HD1  TYR  82           1HD      TYR  82   3.570  16.610  -9.138
  674    HD2  TYR  82           2HD      TYR  82   0.357  15.639  -6.522
  675    HE1  TYR  82           1HE      TYR  82   2.324  18.565  -9.951
  676    HE2  TYR  82           2HE      TYR  82  -0.893  17.592  -7.333
  677    HH   TYR  82           HH       TYR  82   0.460  20.086  -9.019
  678    H    ASN  83           H        ASN  83   5.738  15.323  -4.607
  679    HA   ASN  83           HA       ASN  83   4.338  17.259  -3.073
  680   1HB   ASN  83          2HB       ASN  83   3.155  14.876  -2.759
  681   2HB   ASN  83          1HB       ASN  83   4.448  14.683  -1.581
  682   1HD2  ASN  83          1HD2      ASN  83   1.345  15.486  -1.833
  683   2HD2  ASN  83          2HD2      ASN  83   1.195  16.602  -0.523
  684    H    LYS  84           H        LYS  84   6.308  18.282  -2.960
  685    HA   LYS  84           HA       LYS  84   8.720  17.000  -2.173
  686   1HB   LYS  84          2HB       LYS  84   9.610  19.306  -1.948
  687   2HB   LYS  84          1HB       LYS  84   8.799  19.039  -3.483
  688   1HG   LYS  84          2HG       LYS  84   6.765  20.015  -1.952
  689   2HG   LYS  84          1HG       LYS  84   8.156  20.889  -1.309
  690   1HD   LYS  84          2HD       LYS  84   8.600  21.074  -3.987
  691   2HD   LYS  84          1HD       LYS  84   6.837  21.091  -3.927
  692   1HE   LYS  84          2HE       LYS  84   7.616  22.798  -1.878
  693   2HE   LYS  84          1HE       LYS  84   8.740  23.150  -3.190
  694   1HZ   LYS  84          1HZ       LYS  84   5.775  23.187  -3.370
  695   2HZ   LYS  84          2HZ       LYS  84   6.828  23.469  -4.663
  696   3HZ   LYS  84          3HZ       LYS  84   6.790  24.538  -3.353
  697    HA   PRO  85           HA       PRO  85   8.552  16.865   2.224
  698   1HB   PRO  85          2HB       PRO  85  10.919  18.082   2.966
  699   2HB   PRO  85          1HB       PRO  85  10.772  16.401   2.442
  700   1HG   PRO  85          2HG       PRO  85  11.610  18.810   0.882
  701   2HG   PRO  85          1HG       PRO  85  12.270  17.165   0.846
  702   1HD   PRO  85          2HD       PRO  85  10.632  18.055  -1.077
  703   2HD   PRO  85          1HD       PRO  85  10.558  16.374  -0.505
  704    H    GLU  86           H        GLU  86   6.770  18.462   2.037
  705    HA   GLU  86           HA       GLU  86   7.303  21.230   2.583
  706   1HB   GLU  86          2HB       GLU  86   5.029  19.596   1.859
  707   2HB   GLU  86          1HB       GLU  86   4.609  20.692   3.169
  708   1HG   GLU  86          2HG       GLU  86   5.537  22.556   1.777
  709   2HG   GLU  86          1HG       GLU  86   5.676  21.401   0.451
  710    H    THR  87           H        THR  87   5.531  18.740   4.437
  711    HA   THR  87           HA       THR  87   6.654  19.846   6.904
  712    HB   THR  87           HB       THR  87   4.403  19.747   7.983
  713    HG1  THR  87           1HG      THR  87   3.574  19.244   5.320
  714   1HG2  THR  87          1HG2      THR  87   4.055  21.891   7.558
  715   2HG2  THR  87          2HG2      THR  87   3.746  21.586   5.848
  716   3HG2  THR  87          3HG2      THR  87   5.401  21.783   6.425
  717    H    ILE  88           H        ILE  88   4.000  17.536   6.512
  718    HA   ILE  88           HA       ILE  88   5.780  15.415   7.519
  719    HB   ILE  88           HB       ILE  88   2.837  15.598   8.148
  720   1HG1  ILE  88          2HG1      ILE  88   4.047  16.125  10.519
  721   2HG1  ILE  88          1HG1      ILE  88   5.160  16.931   9.419
  722   1HG2  ILE  88          1HG2      ILE  88   4.806  13.583   8.485
  723   2HG2  ILE  88          2HG2      ILE  88   3.117  13.566   8.991
  724   3HG2  ILE  88          3HG2      ILE  88   4.358  14.182  10.082
  725   1HD1  ILE  88          1HD1      ILE  88   3.228  18.178   8.482
  726   2HD1  ILE  88          2HD1      ILE  88   3.546  18.514  10.183
  727   3HD1  ILE  88          3HD1      ILE  88   2.214  17.453   9.728
  728    H    TYR  89           H        TYR  89   3.842  16.363   4.928
  729    HA   TYR  89           HA       TYR  89   2.544  13.999   4.186
  730   1HB   TYR  89          2HB       TYR  89   3.506  16.414   2.707
  731   2HB   TYR  89          1HB       TYR  89   2.982  15.013   1.779
  732    HD1  TYR  89           2HD      TYR  89   1.895  17.582   4.200
  733    HD2  TYR  89           1HD      TYR  89   0.673  14.450   1.593
  734    HE1  TYR  89           2HE      TYR  89  -0.445  18.297   4.446
  735    HE2  TYR  89           1HE      TYR  89  -1.669  15.156   1.831
  736    HH   TYR  89           HH       TYR  89  -2.580  18.109   3.102
  737    H    TYR  90           H        TYR  90   5.798  15.183   3.360
  738    HA   TYR  90           HA       TYR  90   6.513  12.975   1.742
  739   1HB   TYR  90          2HB       TYR  90   7.693  15.183   1.751
  740   2HB   TYR  90          1HB       TYR  90   8.385  14.760   3.314
  741    HD1  TYR  90           2HD      TYR  90   8.445  14.090  -0.290
  742    HD2  TYR  90           1HD      TYR  90  10.130  13.072   3.484
  743    HE1  TYR  90           2HE      TYR  90  10.296  12.939  -1.430
  744    HE2  TYR  90           1HE      TYR  90  11.983  11.923   2.354
  745    HH   TYR  90           HH       TYR  90  11.999  10.834  -0.507
  746    H    LYS  91           H        LYS  91   7.180  13.707   5.166
  747    HA   LYS  91           HA       LYS  91   8.646  11.387   5.742
  748   1HB   LYS  91          2HB       LYS  91   7.152  13.393   7.355
  749   2HB   LYS  91          1HB       LYS  91   7.560  11.871   8.135
  750   1HG   LYS  91          2HG       LYS  91   9.948  12.318   7.313
  751   2HG   LYS  91          1HG       LYS  91   9.391  13.971   7.042
  752   1HD   LYS  91          2HD       LYS  91   8.539  13.832   9.480
  753   2HD   LYS  91          1HD       LYS  91   9.633  12.454   9.617
  754   1HE   LYS  91          2HE       LYS  91  11.197  13.971  10.132
  755   2HE   LYS  91          1HE       LYS  91  11.212  14.333   8.407
  756   1HZ   LYS  91          1HZ       LYS  91   9.958  15.828  10.605
  757   2HZ   LYS  91          2HZ       LYS  91   9.285  15.933   9.056
  758   3HZ   LYS  91          3HZ       LYS  91  10.891  16.398   9.313
  759    H    ALA  92           H        ALA  92   5.157  12.021   5.847
  760    HA   ALA  92           HA       ALA  92   4.308   9.660   7.069
  761   1HB   ALA  92          1HB       ALA  92   2.718  11.388   6.790
  762   2HB   ALA  92          2HB       ALA  92   2.164  10.057   5.775
  763   3HB   ALA  92          3HB       ALA  92   2.972  11.444   5.045
  764    H    ALA  93           H        ALA  93   4.817  10.363   3.613
  765    HA   ALA  93           HA       ALA  93   4.043   7.810   2.669
  766   1HB   ALA  93          1HB       ALA  93   4.832   8.486   0.562
  767   2HB   ALA  93          2HB       ALA  93   5.997   9.610   1.262
  768   3HB   ALA  93          3HB       ALA  93   4.272   9.970   1.333
  769    H    LYS  94           H        LYS  94   7.188   9.173   3.583
  770    HA   LYS  94           HA       LYS  94   8.761   6.980   2.759
  771   1HB   LYS  94          2HB       LYS  94   9.325   9.463   3.665
  772   2HB   LYS  94          1HB       LYS  94   9.679   8.526   5.109
  773   1HG   LYS  94          2HG       LYS  94  11.450   7.442   4.143
  774   2HG   LYS  94          1HG       LYS  94  10.812   7.630   2.508
  775   1HD   LYS  94          2HD       LYS  94  11.393   9.956   2.482
  776   2HD   LYS  94          1HD       LYS  94  11.845   9.912   4.186
  777   1HE   LYS  94          2HE       LYS  94  13.927   9.649   3.376
  778   2HE   LYS  94          1HE       LYS  94  13.440   7.965   3.197
  779   1HZ   LYS  94          1HZ       LYS  94  13.743  10.041   1.144
  780   2HZ   LYS  94          2HZ       LYS  94  12.599   8.821   0.891
  781   3HZ   LYS  94          3HZ       LYS  94  14.226   8.420   1.116
  782    H    LYS  95           H        LYS  95   7.381   7.814   5.942
  783    HA   LYS  95           HA       LYS  95   8.417   5.604   7.342
  784   1HB   LYS  95          2HB       LYS  95   5.889   7.176   7.877
  785   2HB   LYS  95          1HB       LYS  95   6.656   6.076   9.012
  786   1HG   LYS  95          2HG       LYS  95   8.494   8.089   8.010
  787   2HG   LYS  95          1HG       LYS  95   7.087   8.789   8.814
  788   1HD   LYS  95          2HD       LYS  95   7.591   7.801  10.842
  789   2HD   LYS  95          1HD       LYS  95   8.551   6.521  10.097
  790   1HE   LYS  95          2HE       LYS  95  10.431   7.762  10.093
  791   2HE   LYS  95          1HE       LYS  95   9.574   9.239   9.663
  792   1HZ   LYS  95          1HZ       LYS  95  10.213   8.162  12.298
  793   2HZ   LYS  95          2HZ       LYS  95   8.728   8.957  12.144
  794   3HZ   LYS  95          3HZ       LYS  95  10.163   9.768  11.768
  795    H    LEU  96           H        LEU  96   5.329   6.049   5.635
  796    HA   LEU  96           HA       LEU  96   4.209   3.551   6.311
  797   1HB   LEU  96          2HB       LEU  96   3.569   5.760   4.561
  798   2HB   LEU  96          1HB       LEU  96   3.240   4.234   3.764
  799    HG   LEU  96           HG       LEU  96   1.278   5.198   4.951
  800   1HD1  LEU  96          1HD1      LEU  96   1.815   2.712   6.440
  801   2HD1  LEU  96          2HD1      LEU  96   1.979   2.620   4.687
  802   3HD1  LEU  96          3HD1      LEU  96   0.458   3.150   5.403
  803   1HD2  LEU  96          1HD2      LEU  96   1.229   5.658   7.162
  804   2HD2  LEU  96          2HD2      LEU  96   2.965   5.861   6.930
  805   3HD2  LEU  96          3HD2      LEU  96   2.333   4.347   7.574
  806    H    LEU  97           H        LEU  97   6.416   4.538   3.747
  807    HA   LEU  97           HA       LEU  97   6.245   2.220   2.152
  808   1HB   LEU  97          2HB       LEU  97   7.564   4.606   1.962
  809   2HB   LEU  97          1HB       LEU  97   8.889   3.510   2.301
  810    HG   LEU  97           HG       LEU  97   6.929   2.974   0.083
  811   1HD1  LEU  97          1HD1      LEU  97   9.563   4.387  -0.253
  812   2HD1  LEU  97          2HD1      LEU  97   8.023   5.237  -0.142
  813   3HD1  LEU  97          3HD1      LEU  97   8.312   4.106  -1.465
  814   1HD2  LEU  97          1HD2      LEU  97   9.763   2.169  -0.054
  815   2HD2  LEU  97          2HD2      LEU  97   8.307   1.294  -0.529
  816   3HD2  LEU  97          3HD2      LEU  97   8.784   1.355   1.167
  817    H    HIS  98           H        HIS  98   8.425   3.074   4.837
  818    HA   HIS  98           HA       HIS  98  10.003   0.750   4.751
  819   1HB   HIS  98          2HB       HIS  98   9.942   3.057   6.298
  820   2HB   HIS  98          1HB       HIS  98   9.611   1.770   7.452
  821    HD1  HIS  98           1HD      HIS  98  11.499   0.043   7.877
  822    HD2  HIS  98           2HD      HIS  98  12.526   3.083   5.239
  823    HE1  HIS  98           1HE      HIS  98  13.997  -0.098   7.629
  824    HE2  HIS  98           2HE      HIS  98  14.606   1.805   6.094
  825    H    SER  99           H        SER  99   7.039   1.492   6.560
  826    HA   SER  99           HA       SER  99   6.890  -0.939   7.989
  827   1HB   SER  99          2HB       SER  99   4.738   1.018   7.150
  828   2HB   SER  99          1HB       SER  99   4.432  -0.372   8.190
  829    HG   SER  99           HG       SER  99   5.050   1.883   9.079
  830    H    GLY 100           H        GLY 100   5.643   0.068   4.826
  831   1HA   GLY 100          2HA       GLY 100   4.121  -2.229   4.255
  832   2HA   GLY 100          1HA       GLY 100   4.789  -1.123   3.065
  833    H    MET 101           H        MET 101   7.561  -1.559   3.856
  834    HA   MET 101           HA       MET 101   8.105  -3.826   2.222
  835   1HB   MET 101          2HB       MET 101   9.748  -1.865   3.764
  836   2HB   MET 101          1HB       MET 101  10.509  -3.362   3.248
  837   1HG   MET 101          2HG       MET 101   9.696  -2.814   0.917
  838   2HG   MET 101          1HG       MET 101   9.298  -1.215   1.539
  839   1HE   MET 101          1HE       MET 101  11.993   0.655   2.240
  840   2HE   MET 101          2HE       MET 101  12.659  -0.565   3.325
  841   3HE   MET 101          3HE       MET 101  10.919  -0.279   3.281
  842    H    LYS 102           H        LYS 102   8.229  -3.230   5.715
  843    HA   LYS 102           HA       LYS 102   9.374  -5.747   6.373
  844   1HB   LYS 102          2HB       LYS 102   7.764  -3.850   8.086
  845   2HB   LYS 102          1HB       LYS 102   8.686  -5.223   8.686
  846   1HG   LYS 102          2HG       LYS 102  10.613  -4.103   8.620
  847   2HG   LYS 102          1HG       LYS 102  10.264  -3.412   7.035
  848   1HD   LYS 102          2HD       LYS 102  10.248  -1.514   8.318
  849   2HD   LYS 102          1HD       LYS 102   8.544  -1.969   8.408
  850   1HE   LYS 102          2HE       LYS 102  10.396  -3.078  10.452
  851   2HE   LYS 102          1HE       LYS 102   9.963  -1.375  10.573
  852   1HZ   LYS 102          1HZ       LYS 102   8.416  -2.607  11.857
  853   2HZ   LYS 102          2HZ       LYS 102   8.126  -3.705  10.604
  854   3HZ   LYS 102          3HZ       LYS 102   7.594  -2.105  10.466
  855    H    ILE 103           H        ILE 103   6.005  -4.550   6.426
  856    HA   ILE 103           HA       ILE 103   4.837  -6.894   7.416
  857    HB   ILE 103           HB       ILE 103   2.740  -6.073   6.320
  858   1HG1  ILE 103          2HG1      ILE 103   3.355  -3.433   5.744
  859   2HG1  ILE 103          1HG1      ILE 103   4.659  -4.339   4.988
  860   1HG2  ILE 103          1HG2      ILE 103   2.353  -4.485   7.957
  861   2HG2  ILE 103          2HG2      ILE 103   4.000  -3.859   7.876
  862   3HG2  ILE 103          3HG2      ILE 103   3.688  -5.426   8.623
  863   1HD1  ILE 103          1HD1      ILE 103   2.894  -3.987   3.405
  864   2HD1  ILE 103          2HD1      ILE 103   1.712  -4.692   4.507
  865   3HD1  ILE 103          3HD1      ILE 103   2.978  -5.701   3.807
  866    H    LEU 104           H        LEU 104   5.577  -5.905   4.089
  867    HA   LEU 104           HA       LEU 104   4.265  -8.046   2.803
  868   1HB   LEU 104          2HB       LEU 104   6.024  -5.881   2.059
  869   2HB   LEU 104          1HB       LEU 104   6.470  -7.351   1.218
  870    HG   LEU 104           HG       LEU 104   3.701  -7.240   0.954
  871   1HD1  LEU 104          1HD1      LEU 104   4.776  -4.528   0.250
  872   2HD1  LEU 104          2HD1      LEU 104   3.984  -4.850   1.793
  873   3HD1  LEU 104          3HD1      LEU 104   3.101  -5.079   0.284
  874   1HD2  LEU 104          1HD2      LEU 104   5.797  -7.698  -0.642
  875   2HD2  LEU 104          2HD2      LEU 104   5.368  -6.080  -1.198
  876   3HD2  LEU 104          3HD2      LEU 104   4.176  -7.377  -1.257
  877    H    SER 105           H        SER 105   7.385  -7.820   4.375
  878    HA   SER 105           HA       SER 105   8.735  -9.954   3.216
  879   1HB   SER 105          2HB       SER 105   9.768  -8.386   4.825
  880   2HB   SER 105          1HB       SER 105   8.825  -9.113   6.125
  881    HG   SER 105           HG       SER 105  10.635 -10.565   4.491
  882    H    GLN 106           H        GLN 106   6.170  -9.957   5.619
  883    HA   GLN 106           HA       GLN 106   6.427 -12.623   6.486
  884   1HB   GLN 106          2HB       GLN 106   4.210 -10.613   6.505
  885   2HB   GLN 106          1HB       GLN 106   3.853 -12.284   6.919
  886   1HG   GLN 106          2HG       GLN 106   4.256 -11.076   8.933
  887   2HG   GLN 106          1HG       GLN 106   5.608 -12.174   8.665
  888   1HE2  GLN 106          1HE2      GLN 106   4.632  -8.924   9.079
  889   2HE2  GLN 106          2HE2      GLN 106   6.189  -8.197   8.912
  890    H    GLU 107           H        GLU 107   4.562 -11.173   3.835
  891    HA   GLU 107           HA       GLU 107   3.263 -13.555   3.023
  892   1HB   GLU 107          2HB       GLU 107   3.756 -10.880   1.794
  893   2HB   GLU 107          1HB       GLU 107   3.227 -12.191   0.748
  894   1HG   GLU 107          2HG       GLU 107   1.626 -12.036   3.150
  895   2HG   GLU 107          1HG       GLU 107   1.629 -10.513   2.263
  896    H    ARG 108           H        ARG 108   6.399 -12.147   2.244
  897    HA   ARG 108           HA       ARG 108   6.904 -14.231   0.259
  898   1HB   ARG 108          2HB       ARG 108   7.679 -11.542   0.480
  899   2HB   ARG 108          1HB       ARG 108   9.146 -12.472   0.746
  900   1HG   ARG 108          2HG       ARG 108   8.531 -13.739  -1.379
  901   2HG   ARG 108          1HG       ARG 108   7.366 -12.445  -1.666
  902   1HD   ARG 108          2HD       ARG 108   9.254 -10.815  -1.451
  903   2HD   ARG 108          1HD       ARG 108  10.356 -12.188  -1.387
  904    HE   ARG 108           HE       ARG 108   8.657 -12.265  -3.685
  905   1HH1  ARG 108          1HH1      ARG 108  11.589 -10.833  -2.404
  906   2HH1  ARG 108          2HH1      ARG 108  12.289 -10.570  -3.965
  907   1HH2  ARG 108          1HH2      ARG 108   9.586 -11.909  -5.742
  908   2HH2  ARG 108          2HH2      ARG 108  11.151 -11.179  -5.859
  909    H    LEU 109           H        LEU 109   7.039 -16.019   1.663
  910    HA   LEU 109           HA       LEU 109   9.638 -16.630   2.585
  911   1HB   LEU 109          2HB       LEU 109   8.688 -15.079   4.416
  912   2HB   LEU 109          1HB       LEU 109   7.667 -16.437   4.847
  913    HG   LEU 109           HG       LEU 109  10.597 -16.928   4.657
  914   1HD1  LEU 109          1HD1      LEU 109  11.209 -15.825   6.540
  915   2HD1  LEU 109          2HD1      LEU 109   9.596 -15.909   7.250
  916   3HD1  LEU 109          3HD1      LEU 109   9.946 -14.723   5.992
  917   1HD2  LEU 109          1HD2      LEU 109   8.265 -17.977   6.208
  918   2HD2  LEU 109          2HD2      LEU 109   9.909 -18.229   6.796
  919   3HD2  LEU 109          3HD2      LEU 109   9.433 -18.846   5.215
  920    H    GLU 110           H        GLU 110   6.195 -17.358   3.093
  921    HA   GLU 110           HA       GLU 110   6.557 -20.129   3.588
  922   1HB   GLU 110          2HB       GLU 110   4.071 -18.760   2.549
  923   2HB   GLU 110          1HB       GLU 110   4.157 -20.308   3.380
  924   1HG   GLU 110          2HG       GLU 110   4.339 -19.360   5.425
  925   2HG   GLU 110          1HG       GLU 110   5.235 -17.967   4.826
  926    H    HIS 111           H        HIS 111   5.928 -21.908   2.236
  927    HA   HIS 111           HA       HIS 111   6.478 -21.394  -0.603
  928   1HB   HIS 111          2HB       HIS 111   7.271 -23.490   1.258
  929   2HB   HIS 111          1HB       HIS 111   6.586 -24.146  -0.224
  930    HD1  HIS 111           1HD      HIS 111   8.603 -20.979  -0.235
  931    HD2  HIS 111           2HD      HIS 111   9.036 -24.996  -1.214
  932    HE1  HIS 111           1HE      HIS 111  10.766 -21.131  -1.506
  933    HE2  HIS 111           2HE      HIS 111  10.975 -23.559  -2.145
  934    H    HIS 112           H        HIS 112   4.332 -20.748  -1.076
  935    HA   HIS 112           HA       HIS 112   2.465 -23.014  -1.311
  936   1HB   HIS 112          2HB       HIS 112   1.999 -20.980   0.408
  937   2HB   HIS 112          1HB       HIS 112   1.282 -20.306  -1.049
  938    HD1  HIS 112           1HD      HIS 112  -0.589 -21.940  -2.206
  939    HD2  HIS 112           2HD      HIS 112   0.370 -22.667   1.773
  940    HE1  HIS 112           1HE      HIS 112  -2.496 -23.302  -1.291
  941    HE2  HIS 112           2HE      HIS 112  -1.858 -23.795   1.095
  942    H    HIS 113           H        HIS 113   3.253 -19.757  -2.510
  943    HA   HIS 113           HA       HIS 113   1.772 -19.956  -4.906
  944   1HB   HIS 113          2HB       HIS 113   3.160 -18.014  -5.657
  945   2HB   HIS 113          1HB       HIS 113   2.401 -17.778  -4.088
  946    HD1  HIS 113           1HD      HIS 113   5.732 -18.166  -5.728
  947    HD2  HIS 113           2HD      HIS 113   4.178 -17.625  -1.913
  948    HE1  HIS 113           1HE      HIS 113   7.699 -17.564  -4.279
  949    HE2  HIS 113           2HE      HIS 113   6.751 -17.391  -1.951
  950    H    HIS 114           H        HIS 114   2.229 -20.823  -6.843
  951    HA   HIS 114           HA       HIS 114   4.548 -22.509  -7.100
  952   1HB   HIS 114          2HB       HIS 114   2.017 -22.110  -8.545
  953   2HB   HIS 114          1HB       HIS 114   3.378 -22.539  -9.573
  954    HD1  HIS 114           1HD      HIS 114   3.218 -23.959  -6.119
  955    HD2  HIS 114           2HD      HIS 114   2.282 -25.091 -10.008
  956    HE1  HIS 114           1HE      HIS 114   2.807 -26.437  -6.020
  957    HE2  HIS 114           2HE      HIS 114   2.120 -27.074  -8.357
  958    H    HIS 115           H        HIS 115   3.689 -19.301  -8.102
  959    HA   HIS 115           HA       HIS 115   4.845 -17.659  -9.149
  960   1HB   HIS 115          2HB       HIS 115   6.748 -18.781  -7.747
  961   2HB   HIS 115          1HB       HIS 115   7.298 -19.379  -9.309
  962    HD1  HIS 115           1HD      HIS 115   8.558 -17.100  -7.288
  963    HD2  HIS 115           2HD      HIS 115   6.796 -16.582 -11.016
  964    HE1  HIS 115           1HE      HIS 115   9.469 -14.928  -8.168
  965    HE2  HIS 115           2HE      HIS 115   8.444 -14.670 -10.455
  966    H    HIS 116           H        HIS 116   3.474 -18.020 -10.974
  967    HA   HIS 116           HA       HIS 116   4.798 -19.372 -13.230
  968   1HB   HIS 116          2HB       HIS 116   2.555 -20.260 -12.534
  969   2HB   HIS 116          1HB       HIS 116   1.859 -18.701 -12.963
  970    HD1  HIS 116           1HD      HIS 116   4.465 -20.447 -15.063
  971    HD2  HIS 116           2HD      HIS 116   0.394 -19.608 -15.116
  972    HE1  HIS 116           1HE      HIS 116   3.672 -21.103 -17.356
  973    HE2  HIS 116           2HE      HIS 116   1.197 -20.629 -17.351
  Start of MODEL   19
    1   1H    MET   0          1HT       MET   0  -7.431 -27.147 -10.192
    2   2H    MET   0          2HT       MET   0  -7.843 -26.050  -8.938
    3   3H    MET   0          3HT       MET   0  -6.510 -27.115  -8.747
    4    HA   MET   0           HA       MET   0  -5.481 -26.027 -10.687
    5   1HB   MET   0          2HB       MET   0  -7.920 -25.014 -11.131
    6   2HB   MET   0          1HB       MET   0  -7.266 -23.697 -10.169
    7   1HG   MET   0          2HG       MET   0  -5.539 -24.661 -12.351
    8   2HG   MET   0          1HG       MET   0  -7.040 -23.880 -12.843
    9   1HE   MET   0          1HE       MET   0  -7.110 -20.549 -11.882
   10   2HE   MET   0          2HE       MET   0  -6.841 -21.073 -10.220
   11   3HE   MET   0          3HE       MET   0  -7.873 -22.024 -11.288
   12    H    GLU   1           H        GLU   1  -4.181 -23.975 -10.331
   13    HA   GLU   1           HA       GLU   1  -3.241 -23.955  -7.638
   14   1HB   GLU   1          2HB       GLU   1  -2.457 -22.614 -10.183
   15   2HB   GLU   1          1HB       GLU   1  -1.893 -21.907  -8.674
   16   1HG   GLU   1          2HG       GLU   1  -1.470 -24.728  -8.600
   17   2HG   GLU   1          1HG       GLU   1  -0.806 -24.076 -10.098
   18    H    GLU   2           H        GLU   2  -5.245 -23.325  -6.611
   19    HA   GLU   2           HA       GLU   2  -5.292 -20.504  -6.068
   20   1HB   GLU   2          2HB       GLU   2  -7.144 -21.608  -7.970
   21   2HB   GLU   2          1HB       GLU   2  -8.022 -21.030  -6.559
   22   1HG   GLU   2          2HG       GLU   2  -5.978 -19.350  -7.976
   23   2HG   GLU   2          1HG       GLU   2  -7.667 -19.398  -8.474
   24    H    VAL   3           H        VAL   3  -4.801 -22.960  -4.612
   25    HA   VAL   3           HA       VAL   3  -7.012 -22.880  -2.668
   26    HB   VAL   3           HB       VAL   3  -6.686 -25.097  -3.672
   27   1HG1  VAL   3          1HG1      VAL   3  -4.665 -26.396  -3.227
   28   2HG1  VAL   3          2HG1      VAL   3  -3.929 -24.993  -2.453
   29   3HG1  VAL   3          3HG1      VAL   3  -4.305 -24.954  -4.176
   30   1HG2  VAL   3          1HG2      VAL   3  -7.590 -25.125  -1.497
   31   2HG2  VAL   3          2HG2      VAL   3  -6.024 -24.791  -0.756
   32   3HG2  VAL   3          3HG2      VAL   3  -6.330 -26.359  -1.504
   33    H    GLU   4           H        GLU   4  -3.506 -22.820  -3.076
   34    HA   GLU   4           HA       GLU   4  -3.113 -22.263  -0.236
   35   1HB   GLU   4          2HB       GLU   4  -1.641 -23.736  -1.987
   36   2HB   GLU   4          1HB       GLU   4  -0.788 -22.200  -2.051
   37   1HG   GLU   4          2HG       GLU   4  -1.091 -22.519   0.624
   38   2HG   GLU   4          1HG       GLU   4  -0.940 -24.192   0.093
   39    H    GLN   5           H        GLN   5  -3.814 -20.489  -2.962
   40    HA   GLN   5           HA       GLN   5  -2.106 -18.222  -2.318
   41   1HB   GLN   5          2HB       GLN   5  -3.996 -18.857  -4.561
   42   2HB   GLN   5          1HB       GLN   5  -3.441 -17.208  -4.299
   43   1HG   GLN   5          2HG       GLN   5  -1.607 -17.663  -5.431
   44   2HG   GLN   5          1HG       GLN   5  -1.162 -18.848  -4.206
   45   1HE2  GLN   5          1HE2      GLN   5  -2.232 -21.021  -4.477
   46   2HE2  GLN   5          2HE2      GLN   5  -2.344 -21.635  -6.087
   47    H    THR   6           H        THR   6  -5.375 -19.290  -1.852
   48    HA   THR   6           HA       THR   6  -6.740 -16.917  -1.477
   49    HB   THR   6           HB       THR   6  -7.316 -19.087   0.467
   50    HG1  THR   6           1HG      THR   6  -7.612 -19.471  -2.333
   51   1HG2  THR   6          1HG2      THR   6  -9.476 -18.536   0.171
   52   2HG2  THR   6          2HG2      THR   6  -9.279 -18.216  -1.552
   53   3HG2  THR   6          3HG2      THR   6  -8.770 -17.014  -0.367
   54    HA   PRO   7           HA       PRO   7  -5.184 -17.265   3.278
   55   1HB   PRO   7          2HB       PRO   7  -2.422 -18.038   2.443
   56   2HB   PRO   7          1HB       PRO   7  -3.301 -18.432   3.920
   57   1HG   PRO   7          2HG       PRO   7  -3.034 -20.249   2.018
   58   2HG   PRO   7          1HG       PRO   7  -4.576 -20.077   2.878
   59   1HD   PRO   7          2HD       PRO   7  -3.824 -19.181   0.132
   60   2HD   PRO   7          1HD       PRO   7  -5.372 -19.819   0.727
   61    H    LEU   8           H        LEU   8  -3.232 -16.306   0.482
   62    HA   LEU   8           HA       LEU   8  -1.737 -14.252   1.635
   63   1HB   LEU   8          2HB       LEU   8  -2.768 -14.682  -1.154
   64   2HB   LEU   8          1HB       LEU   8  -1.856 -13.245  -0.743
   65    HG   LEU   8           HG       LEU   8  -0.672 -15.897  -0.068
   66   1HD1  LEU   8          1HD1      LEU   8  -1.044 -14.801  -2.825
   67   2HD1  LEU   8          2HD1      LEU   8  -1.194 -16.460  -2.249
   68   3HD1  LEU   8          3HD1      LEU   8   0.401 -15.730  -2.421
   69   1HD2  LEU   8          1HD2      LEU   8   0.607 -14.085   0.670
   70   2HD2  LEU   8          2HD2      LEU   8   0.319 -13.162  -0.804
   71   3HD2  LEU   8          3HD2      LEU   8   1.379 -14.571  -0.840
   72    H    GLN   9           H        GLN   9  -5.017 -14.196   0.286
   73    HA   GLN   9           HA       GLN   9  -5.476 -11.439   0.387
   74   1HB   GLN   9          2HB       GLN   9  -6.930 -13.444  -0.527
   75   2HB   GLN   9          1HB       GLN   9  -7.677 -13.349   1.061
   76   1HG   GLN   9          2HG       GLN   9  -7.660 -10.730   0.251
   77   2HG   GLN   9          1HG       GLN   9  -7.952 -11.599  -1.252
   78   1HE2  GLN   9          1HE2      GLN   9 -10.041 -10.563  -1.219
   79   2HE2  GLN   9          2HE2      GLN   9 -11.316 -11.235  -0.264
   80    H    GLU  10           H        GLU  10  -5.703 -13.910   2.903
   81    HA   GLU  10           HA       GLU  10  -6.989 -12.364   4.871
   82   1HB   GLU  10          2HB       GLU  10  -6.647 -14.858   4.933
   83   2HB   GLU  10          1HB       GLU  10  -4.968 -14.558   5.359
   84   1HG   GLU  10          2HG       GLU  10  -5.906 -14.906   7.419
   85   2HG   GLU  10          1HG       GLU  10  -5.993 -13.148   7.291
   86    H    ALA  11           H        ALA  11  -3.544 -12.913   4.196
   87    HA   ALA  11           HA       ALA  11  -2.529 -11.341   6.306
   88   1HB   ALA  11          1HB       ALA  11  -0.700 -12.379   5.553
   89   2HB   ALA  11          2HB       ALA  11  -0.647 -11.185   4.257
   90   3HB   ALA  11          3HB       ALA  11  -1.459 -12.728   3.999
   91    H    LEU  12           H        LEU  12  -3.511 -10.549   3.011
   92    HA   LEU  12           HA       LEU  12  -2.445  -7.962   2.864
   93   1HB   LEU  12          2HB       LEU  12  -4.510  -9.503   1.424
   94   2HB   LEU  12          1HB       LEU  12  -4.658  -7.759   1.316
   95    HG   LEU  12           HG       LEU  12  -2.465  -7.564   0.340
   96   1HD1  LEU  12          1HD1      LEU  12  -0.916  -9.031   0.973
   97   2HD1  LEU  12          2HD1      LEU  12  -1.602 -10.127  -0.227
   98   3HD1  LEU  12          3HD1      LEU  12  -2.123 -10.219   1.453
   99   1HD2  LEU  12          1HD2      LEU  12  -4.625  -8.663  -0.902
  100   2HD2  LEU  12          2HD2      LEU  12  -3.367  -9.847  -1.261
  101   3HD2  LEU  12          3HD2      LEU  12  -3.143  -8.158  -1.713
  102    H    ASN  13           H        ASN  13  -5.679  -9.035   3.963
  103    HA   ASN  13           HA       ASN  13  -6.616  -6.405   4.461
  104   1HB   ASN  13          2HB       ASN  13  -8.536  -7.377   5.451
  105   2HB   ASN  13          1HB       ASN  13  -8.072  -8.445   4.136
  106   1HD2  ASN  13          1HD2      ASN  13  -8.165 -10.523   4.604
  107   2HD2  ASN  13          2HD2      ASN  13  -7.987 -11.223   6.175
  108    H    GLN  14           H        GLN  14  -4.872  -8.728   6.456
  109    HA   GLN  14           HA       GLN  14  -5.270  -7.365   8.921
  110   1HB   GLN  14          2HB       GLN  14  -4.029  -9.758   8.104
  111   2HB   GLN  14          1HB       GLN  14  -2.763  -8.802   8.861
  112   1HG   GLN  14          2HG       GLN  14  -3.535  -9.272  10.878
  113   2HG   GLN  14          1HG       GLN  14  -5.142  -8.688  10.456
  114   1HE2  GLN  14          1HE2      GLN  14  -6.709 -10.147   9.772
  115   2HE2  GLN  14          2HE2      GLN  14  -6.531 -11.853   9.975
  116    H    LEU  15           H        LEU  15  -2.623  -7.314   6.535
  117    HA   LEU  15           HA       LEU  15  -1.075  -5.421   8.005
  118   1HB   LEU  15          2HB       LEU  15  -0.937  -6.107   5.069
  119   2HB   LEU  15          1HB       LEU  15   0.280  -5.232   5.980
  120    HG   LEU  15           HG       LEU  15  -0.512  -8.105   6.447
  121   1HD1  LEU  15          1HD1      LEU  15   0.671  -7.884   4.368
  122   2HD1  LEU  15          2HD1      LEU  15   1.755  -8.577   5.574
  123   3HD1  LEU  15          3HD1      LEU  15   1.902  -6.878   5.130
  124   1HD2  LEU  15          1HD2      LEU  15   0.792  -6.218   8.129
  125   2HD2  LEU  15          2HD2      LEU  15   1.983  -7.408   7.604
  126   3HD2  LEU  15          3HD2      LEU  15   0.507  -7.934   8.412
  127    H    MET  16           H        MET  16  -3.593  -5.174   5.562
  128    HA   MET  16           HA       MET  16  -3.195  -2.472   4.852
  129   1HB   MET  16          2HB       MET  16  -5.468  -4.396   4.640
  130   2HB   MET  16          1HB       MET  16  -5.814  -2.684   4.432
  131   1HG   MET  16          2HG       MET  16  -3.784  -4.246   2.854
  132   2HG   MET  16          1HG       MET  16  -5.410  -3.839   2.309
  133   1HE   MET  16          1HE       MET  16  -1.785  -2.178   1.396
  134   2HE   MET  16          2HE       MET  16  -1.998  -3.143   2.857
  135   3HE   MET  16          3HE       MET  16  -1.758  -1.399   2.977
  136    H    ARG  17           H        ARG  17  -5.229  -3.989   7.348
  137    HA   ARG  17           HA       ARG  17  -6.373  -1.578   8.289
  138   1HB   ARG  17          2HB       ARG  17  -7.031  -2.879  10.273
  139   2HB   ARG  17          1HB       ARG  17  -7.406  -3.723   8.780
  140   1HG   ARG  17          2HG       ARG  17  -5.724  -5.300   9.107
  141   2HG   ARG  17          1HG       ARG  17  -4.880  -4.296  10.284
  142   1HD   ARG  17          2HD       ARG  17  -6.053  -6.199  11.321
  143   2HD   ARG  17          1HD       ARG  17  -6.636  -4.638  11.899
  144    HE   ARG  17           HE       ARG  17  -8.170  -5.689   9.710
  145   1HH1  ARG  17          1HH1      ARG  17  -7.749  -5.762  13.184
  146   2HH1  ARG  17          2HH1      ARG  17  -9.388  -6.222  13.500
  147   1HH2  ARG  17          1HH2      ARG  17 -10.335  -6.294  10.129
  148   2HH2  ARG  17          2HH2      ARG  17 -10.856  -6.526  11.764
  149    H    GLN  18           H        GLN  18  -3.462  -3.369   9.208
  150    HA   GLN  18           HA       GLN  18  -2.829  -1.803  11.481
  151   1HB   GLN  18          2HB       GLN  18  -1.468  -3.844   9.840
  152   2HB   GLN  18          1HB       GLN  18  -0.398  -2.708  10.649
  153   1HG   GLN  18          2HG       GLN  18  -0.633  -3.792  12.558
  154   2HG   GLN  18          1HG       GLN  18  -2.381  -3.575  12.502
  155   1HE2  GLN  18          1HE2      GLN  18   0.237  -5.624  11.290
  156   2HE2  GLN  18          2HE2      GLN  18  -0.699  -7.074  11.217
  157    H    LEU  19           H        LEU  19  -1.801  -1.610   8.079
  158    HA   LEU  19           HA       LEU  19   0.019   0.500   8.348
  159   1HB   LEU  19          2HB       LEU  19  -1.320  -0.883   6.191
  160   2HB   LEU  19          1HB       LEU  19  -1.240   0.836   5.860
  161    HG   LEU  19           HG       LEU  19   1.169  -0.827   6.582
  162   1HD1  LEU  19          1HD1      LEU  19   0.320  -1.693   4.522
  163   2HD1  LEU  19          2HD1      LEU  19   1.706  -0.666   4.153
  164   3HD1  LEU  19          3HD1      LEU  19   0.068  -0.068   3.884
  165   1HD2  LEU  19          1HD2      LEU  19   1.678   1.402   7.037
  166   2HD2  LEU  19          2HD2      LEU  19   0.741   1.995   5.667
  167   3HD2  LEU  19          3HD2      LEU  19   2.275   1.167   5.394
  168    H    GLN  20           H        GLN  20  -3.474   0.558   7.661
  169    HA   GLN  20           HA       GLN  20  -3.707   3.349   7.383
  170   1HB   GLN  20          2HB       GLN  20  -5.619   1.118   7.924
  171   2HB   GLN  20          1HB       GLN  20  -6.174   2.772   8.147
  172   1HG   GLN  20          2HG       GLN  20  -5.734   3.305   5.864
  173   2HG   GLN  20          1HG       GLN  20  -4.920   1.765   5.604
  174   1HE2  GLN  20          1HE2      GLN  20  -7.582   3.312   4.792
  175   2HE2  GLN  20          2HE2      GLN  20  -8.723   2.017   4.732
  176    H    ARG  21           H        ARG  21  -3.890   1.250  10.218
  177    HA   ARG  21           HA       ARG  21  -4.827   3.199  12.040
  178   1HB   ARG  21          2HB       ARG  21  -3.380   0.589  12.379
  179   2HB   ARG  21          1HB       ARG  21  -3.753   1.609  13.760
  180   1HG   ARG  21          2HG       ARG  21  -6.030   1.104  11.991
  181   2HG   ARG  21          1HG       ARG  21  -5.367  -0.335  12.765
  182   1HD   ARG  21          2HD       ARG  21  -6.686   0.238  14.486
  183   2HD   ARG  21          1HD       ARG  21  -5.427   1.417  14.848
  184    HE   ARG  21           HE       ARG  21  -7.029   2.744  13.122
  185   1HH1  ARG  21          1HH1      ARG  21  -7.670   1.012  16.102
  186   2HH1  ARG  21          2HH1      ARG  21  -9.037   1.988  16.517
  187   1HH2  ARG  21          1HH2      ARG  21  -8.831   4.029  13.684
  188   2HH2  ARG  21          2HH2      ARG  21  -9.696   3.698  15.146
  189    H    LYS  22           H        LYS  22  -1.733   2.815  10.595
  190    HA   LYS  22           HA       LYS  22   0.030   3.629  12.552
  191   1HB   LYS  22          2HB       LYS  22  -0.030   3.990   9.585
  192   2HB   LYS  22          1HB       LYS  22   1.191   4.844  10.517
  193   1HG   LYS  22          2HG       LYS  22   0.793   1.898  10.842
  194   2HG   LYS  22          1HG       LYS  22   1.776   2.553   9.531
  195   1HD   LYS  22          2HD       LYS  22   3.448   2.442  11.031
  196   2HD   LYS  22          1HD       LYS  22   2.748   3.937  11.657
  197   1HE   LYS  22          2HE       LYS  22   1.238   2.073  12.933
  198   2HE   LYS  22          1HE       LYS  22   2.778   1.228  12.804
  199   1HZ   LYS  22          1HZ       LYS  22   3.803   3.291  13.781
  200   2HZ   LYS  22          2HZ       LYS  22   2.822   2.399  14.830
  201   3HZ   LYS  22          3HZ       LYS  22   2.234   3.823  14.130
  202    H    ASP  23           H        ASP  23  -1.105   5.931  10.075
  203    HA   ASP  23           HA       ASP  23  -2.344   7.853  11.471
  204   1HB   ASP  23          2HB       ASP  23   0.385   7.761  12.381
  205   2HB   ASP  23          1HB       ASP  23   0.054   9.314  11.626
  206    HA   PRO  24           HA       PRO  24   0.121  10.009   7.795
  207   1HB   PRO  24          2HB       PRO  24   1.329   7.544   6.656
  208   2HB   PRO  24          1HB       PRO  24   2.015   9.164   6.812
  209   1HG   PRO  24          2HG       PRO  24   2.820   7.205   8.417
  210   2HG   PRO  24          1HG       PRO  24   2.590   8.847   9.042
  211   1HD   PRO  24          2HD       PRO  24   0.816   6.457   9.314
  212   2HD   PRO  24          1HD       PRO  24   1.243   7.694  10.513
  213    H    SER  25           H        SER  25  -1.179   6.735   7.598
  214    HA   SER  25           HA       SER  25  -2.146   6.861   4.953
  215   1HB   SER  25          2HB       SER  25  -3.638   5.217   6.927
  216   2HB   SER  25          1HB       SER  25  -3.030   4.787   5.330
  217    HG   SER  25           HG       SER  25  -1.903   4.380   7.735
  218    H    ALA  26           H        ALA  26  -3.308   8.343   7.842
  219    HA   ALA  26           HA       ALA  26  -6.051   8.452   7.437
  220   1HB   ALA  26          1HB       ALA  26  -5.956  10.627   8.667
  221   2HB   ALA  26          2HB       ALA  26  -4.198  10.522   8.600
  222   3HB   ALA  26          3HB       ALA  26  -5.121   9.295   9.468
  223    H    PHE  27           H        PHE  27  -3.492  10.195   5.787
  224    HA   PHE  27           HA       PHE  27  -5.365  11.962   4.436
  225   1HB   PHE  27          2HB       PHE  27  -2.366  11.664   4.210
  226   2HB   PHE  27          1HB       PHE  27  -3.317  12.857   3.332
  227    HD1  PHE  27           2HD      PHE  27  -5.201  13.791   5.353
  228    HD2  PHE  27           1HD      PHE  27  -1.066  12.850   5.706
  229    HE1  PHE  27           2HE      PHE  27  -5.015  15.343   7.254
  230    HE2  PHE  27           1HE      PHE  27  -0.872  14.397   7.608
  231    HZ   PHE  27           HZ       PHE  27  -2.847  15.647   8.384
  232    H    PHE  28           H        PHE  28  -3.505   9.052   3.751
  233    HA   PHE  28           HA       PHE  28  -4.420   9.119   0.959
  234   1HB   PHE  28          2HB       PHE  28  -2.246   7.538   2.331
  235   2HB   PHE  28          1HB       PHE  28  -2.767   7.218   0.681
  236    HD1  PHE  28           2HD      PHE  28  -2.933   9.529  -0.751
  237    HD2  PHE  28           1HD      PHE  28  -0.328   8.763   2.525
  238    HE1  PHE  28           2HE      PHE  28  -1.390  11.255  -1.580
  239    HE2  PHE  28           1HE      PHE  28   1.222  10.488   1.702
  240    HZ   PHE  28           HZ       PHE  28   0.690  11.736  -0.354
  241    H    SER  29           H        SER  29  -6.009   8.331   3.431
  242    HA   SER  29           HA       SER  29  -6.488   5.504   3.052
  243   1HB   SER  29          2HB       SER  29  -6.620   6.296   5.312
  244   2HB   SER  29          1HB       SER  29  -7.741   7.579   4.862
  245    HG   SER  29           HG       SER  29  -8.435   5.316   5.794
  246    H    PHE  30           H        PHE  30  -7.477   8.263   1.449
  247    HA   PHE  30           HA       PHE  30  -9.824   6.874   0.372
  248   1HB   PHE  30          2HB       PHE  30  -9.765   9.436   1.781
  249   2HB   PHE  30          1HB       PHE  30 -10.490   9.559   0.184
  250    HD1  PHE  30           2HD      PHE  30 -10.609   7.190   3.078
  251    HD2  PHE  30           1HD      PHE  30 -12.764   9.360   0.119
  252    HE1  PHE  30           2HE      PHE  30 -12.722   6.301   3.970
  253    HE2  PHE  30           1HE      PHE  30 -14.880   8.478   1.007
  254    HZ   PHE  30           HZ       PHE  30 -14.861   6.945   2.934
  255    HA   PRO  31           HA       PRO  31  -8.298   7.821  -3.651
  256   1HB   PRO  31          2HB       PRO  31 -10.491   8.915  -4.921
  257   2HB   PRO  31          1HB       PRO  31 -10.232   7.185  -4.682
  258   1HG   PRO  31          2HG       PRO  31 -11.902   9.088  -3.091
  259   2HG   PRO  31          1HG       PRO  31 -12.264   7.426  -3.592
  260   1HD   PRO  31          2HD       PRO  31 -11.473   7.987  -1.096
  261   2HD   PRO  31          1HD       PRO  31 -10.952   6.500  -1.915
  262    H    VAL  32           H        VAL  32  -6.910   9.406  -4.104
  263    HA   VAL  32           HA       VAL  32  -6.910  11.936  -3.024
  264    HB   VAL  32           HB       VAL  32  -5.481  12.544  -5.143
  265   1HG1  VAL  32          1HG1      VAL  32  -3.573  11.808  -4.006
  266   2HG1  VAL  32          2HG1      VAL  32  -4.414  10.426  -3.306
  267   3HG1  VAL  32          3HG1      VAL  32  -4.780  12.058  -2.747
  268   1HG2  VAL  32          1HG2      VAL  32  -4.855   9.698  -5.336
  269   2HG2  VAL  32          2HG2      VAL  32  -4.974  10.925  -6.597
  270   3HG2  VAL  32          3HG2      VAL  32  -6.430  10.142  -5.988
  271    H    THR  33           H        THR  33  -7.944  13.766  -3.364
  272    HA   THR  33           HA       THR  33  -9.480  14.084  -5.858
  273    HB   THR  33           HB       THR  33 -10.426  15.576  -3.494
  274    HG1  THR  33           1HG      THR  33 -11.350  13.790  -2.508
  275   1HG2  THR  33          1HG2      THR  33 -11.515  15.073  -5.876
  276   2HG2  THR  33          2HG2      THR  33 -12.466  15.377  -4.423
  277   3HG2  THR  33          3HG2      THR  33 -12.185  13.721  -4.961
  278    H    ASP  34           H        ASP  34 -10.289  16.741  -5.431
  279    HA   ASP  34           HA       ASP  34  -7.894  18.124  -6.174
  280   1HB   ASP  34          2HB       ASP  34 -10.578  18.430  -6.722
  281   2HB   ASP  34          1HB       ASP  34 -10.246  19.780  -5.647
  282    H    PHE  35           H        PHE  35  -9.078  17.339  -3.174
  283    HA   PHE  35           HA       PHE  35  -7.958  19.771  -1.944
  284   1HB   PHE  35          2HB       PHE  35 -10.267  19.636  -1.356
  285   2HB   PHE  35          1HB       PHE  35 -10.153  17.914  -1.023
  286    HD1  PHE  35           1HD      PHE  35  -8.937  17.136   1.005
  287    HD2  PHE  35           2HD      PHE  35  -9.783  21.244   0.297
  288    HE1  PHE  35           1HE      PHE  35  -8.543  17.623   3.387
  289    HE2  PHE  35           2HE      PHE  35  -9.390  21.741   2.674
  290    HZ   PHE  35           HZ       PHE  35  -8.768  19.930   4.222
  291    H    ILE  36           H        ILE  36  -8.310  16.255  -1.636
  292    HA   ILE  36           HA       ILE  36  -6.397  15.959   0.440
  293    HB   ILE  36           HB       ILE  36  -7.794  14.087  -1.434
  294   1HG1  ILE  36          2HG1      ILE  36  -7.670  13.589   1.470
  295   2HG1  ILE  36          1HG1      ILE  36  -8.436  15.106   1.009
  296   1HG2  ILE  36          1HG2      ILE  36  -5.464  13.374   0.325
  297   2HG2  ILE  36          2HG2      ILE  36  -5.629  13.126  -1.413
  298   3HG2  ILE  36          3HG2      ILE  36  -6.620  12.193  -0.292
  299   1HD1  ILE  36          1HD1      ILE  36  -9.465  13.080  -0.674
  300   2HD1  ILE  36          2HD1      ILE  36 -10.301  14.014   0.568
  301   3HD1  ILE  36          3HD1      ILE  36  -9.519  12.491   0.987
  302    H    ALA  37           H        ALA  37  -6.239  15.975  -3.072
  303    HA   ALA  37           HA       ALA  37  -3.315  15.646  -2.905
  304   1HB   ALA  37          1HB       ALA  37  -3.736  14.948  -5.430
  305   2HB   ALA  37          2HB       ALA  37  -5.303  14.482  -4.770
  306   3HB   ALA  37          3HB       ALA  37  -3.825  13.786  -4.109
  307    HA   PRO  38           HA       PRO  38  -3.170  19.617  -4.862
  308   1HB   PRO  38          2HB       PRO  38  -0.460  19.277  -5.674
  309   2HB   PRO  38          1HB       PRO  38  -1.056  20.129  -4.250
  310   1HG   PRO  38          2HG       PRO  38   0.404  17.775  -4.210
  311   2HG   PRO  38          1HG       PRO  38  -0.606  18.367  -2.884
  312   1HD   PRO  38          2HD       PRO  38  -1.191  16.279  -4.931
  313   2HD   PRO  38          1HD       PRO  38  -1.663  16.351  -3.220
  314    H    GLY  39           H        GLY  39  -3.220  16.895  -6.529
  315   1HA   GLY  39          2HA       GLY  39  -4.205  17.405  -8.856
  316   2HA   GLY  39          1HA       GLY  39  -2.611  18.092  -9.142
  317    H    TYR  40           H        TYR  40  -3.391  15.165  -7.310
  318    HA   TYR  40           HA       TYR  40  -1.374  13.600  -8.420
  319   1HB   TYR  40          2HB       TYR  40  -3.888  12.985  -6.923
  320   2HB   TYR  40          1HB       TYR  40  -3.022  11.657  -7.691
  321    HD1  TYR  40           1HD      TYR  40  -1.750  14.704  -5.956
  322    HD2  TYR  40           2HD      TYR  40  -1.991  10.451  -5.974
  323    HE1  TYR  40           1HE      TYR  40  -0.229  14.614  -4.033
  324    HE2  TYR  40           2HE      TYR  40  -0.471  10.357  -4.049
  325    HH   TYR  40           HH       TYR  40   0.248  12.971  -2.133
  326    H    SER  41           H        SER  41  -4.802  13.820  -9.346
  327    HA   SER  41           HA       SER  41  -4.749  11.871 -11.370
  328   1HB   SER  41          2HB       SER  41  -6.826  12.866 -12.156
  329   2HB   SER  41          1HB       SER  41  -6.814  12.830 -10.394
  330    HG   SER  41           HG       SER  41  -6.957  14.961 -12.070
  331    H    MET  42           H        MET  42  -3.658  15.173 -11.352
  332    HA   MET  42           HA       MET  42  -3.631  15.516 -14.187
  333   1HB   MET  42          2HB       MET  42  -3.801  17.391 -12.569
  334   2HB   MET  42          1HB       MET  42  -2.142  17.079 -12.077
  335   1HG   MET  42          2HG       MET  42  -1.885  17.327 -14.777
  336   2HG   MET  42          1HG       MET  42  -3.182  18.467 -14.428
  337   1HE   MET  42          1HE       MET  42   0.191  17.528 -14.590
  338   2HE   MET  42          2HE       MET  42   1.177  18.545 -13.537
  339   3HE   MET  42          3HE       MET  42   0.591  19.174 -15.077
  340    H    ILE  43           H        ILE  43  -1.092  14.819 -11.771
  341    HA   ILE  43           HA       ILE  43   0.783  14.351 -13.981
  342    HB   ILE  43           HB       ILE  43   1.286  15.907 -11.983
  343   1HG1  ILE  43          2HG1      ILE  43   3.270  13.787 -12.833
  344   2HG1  ILE  43          1HG1      ILE  43   2.906  15.266 -13.716
  345   1HG2  ILE  43          1HG2      ILE  43   0.671  14.366 -10.203
  346   2HG2  ILE  43          2HG2      ILE  43   2.364  14.839 -10.075
  347   3HG2  ILE  43          3HG2      ILE  43   1.942  13.255 -10.715
  348   1HD1  ILE  43          1HD1      ILE  43   4.645  14.826 -11.418
  349   2HD1  ILE  43          2HD1      ILE  43   3.589  16.231 -11.262
  350   3HD1  ILE  43          3HD1      ILE  43   4.674  16.093 -12.645
  351    H    ILE  44           H        ILE  44  -0.389  12.795 -11.010
  352    HA   ILE  44           HA       ILE  44   0.889  10.294 -11.799
  353    HB   ILE  44           HB       ILE  44  -0.306  11.298  -9.234
  354   1HG1  ILE  44          2HG1      ILE  44   2.043  11.734  -9.624
  355   2HG1  ILE  44          1HG1      ILE  44   1.877  10.544  -8.341
  356   1HG2  ILE  44          1HG2      ILE  44   0.183   8.415  -9.945
  357   2HG2  ILE  44          2HG2      ILE  44  -1.315   9.151  -9.376
  358   3HG2  ILE  44          3HG2      ILE  44   0.059   9.002  -8.287
  359   1HD1  ILE  44          1HD1      ILE  44   3.505   9.520  -9.511
  360   2HD1  ILE  44          2HD1      ILE  44   3.047  10.288 -11.031
  361   3HD1  ILE  44          3HD1      ILE  44   2.139   8.899 -10.437
  362    H    LYS  45           H        LYS  45  -0.373   9.639 -13.496
  363    HA   LYS  45           HA       LYS  45  -3.112   9.668 -13.761
  364   1HB   LYS  45          2HB       LYS  45  -0.891   8.312 -15.017
  365   2HB   LYS  45          1HB       LYS  45  -2.304   7.271 -14.956
  366   1HG   LYS  45          2HG       LYS  45  -3.491   8.554 -16.401
  367   2HG   LYS  45          1HG       LYS  45  -2.733  10.053 -15.867
  368   1HD   LYS  45          2HD       LYS  45  -2.051   9.564 -18.135
  369   2HD   LYS  45          1HD       LYS  45  -0.668   9.398 -17.054
  370   1HE   LYS  45          2HE       LYS  45  -0.375   7.444 -18.136
  371   2HE   LYS  45          1HE       LYS  45  -1.618   6.867 -17.027
  372   1HZ   LYS  45          1HZ       LYS  45  -1.962   7.724 -19.844
  373   2HZ   LYS  45          2HZ       LYS  45  -3.267   7.502 -18.792
  374   3HZ   LYS  45          3HZ       LYS  45  -2.262   6.198 -19.178
  375    H    HIS  46           H        HIS  46  -1.159   6.977 -12.434
  376    HA   HIS  46           HA       HIS  46  -3.637   5.941 -11.220
  377   1HB   HIS  46          2HB       HIS  46  -2.062   4.652 -13.065
  378   2HB   HIS  46          1HB       HIS  46  -1.447   4.012 -11.546
  379    HD1  HIS  46           1HD      HIS  46  -2.568   1.792 -12.785
  380    HD2  HIS  46           2HD      HIS  46  -5.138   4.589 -11.099
  381    HE1  HIS  46           1HE      HIS  46  -4.760   0.596 -12.480
  382    HE2  HIS  46           2HE      HIS  46  -6.292   2.300 -11.435
  383    HA   PRO  47           HA       PRO  47  -0.909   6.917  -7.652
  384   1HB   PRO  47          2HB       PRO  47  -3.289   7.691  -6.231
  385   2HB   PRO  47          1HB       PRO  47  -1.956   8.712  -6.769
  386   1HG   PRO  47          2HG       PRO  47  -4.516   8.808  -7.785
  387   2HG   PRO  47          1HG       PRO  47  -3.072   9.388  -8.628
  388   1HD   PRO  47          2HD       PRO  47  -4.593   6.849  -8.996
  389   2HD   PRO  47          1HD       PRO  47  -3.755   7.853 -10.195
  390    H    MET  48           H        MET  48  -4.135   5.441  -7.592
  391    HA   MET  48           HA       MET  48  -5.023   3.676  -6.474
  392   1HB   MET  48          2HB       MET  48  -2.137   2.774  -6.536
  393   2HB   MET  48          1HB       MET  48  -3.492   1.747  -6.084
  394   1HG   MET  48          2HG       MET  48  -2.935   2.991  -8.761
  395   2HG   MET  48          1HG       MET  48  -2.960   1.279  -8.348
  396   1HE   MET  48          1HE       MET  48  -6.370   0.204  -9.182
  397   2HE   MET  48          2HE       MET  48  -5.255  -0.098  -7.850
  398   3HE   MET  48          3HE       MET  48  -4.645   0.031  -9.498
  399    H    ASP  49           H        ASP  49  -5.529   5.122  -4.726
  400    HA   ASP  49           HA       ASP  49  -3.859   5.400  -2.445
  401   1HB   ASP  49          2HB       ASP  49  -6.862   5.724  -2.606
  402   2HB   ASP  49          1HB       ASP  49  -5.802   6.365  -1.353
  403    H    PHE  50           H        PHE  50  -4.573   4.684  -0.235
  404    HA   PHE  50           HA       PHE  50  -4.548   1.887  -0.067
  405   1HB   PHE  50          2HB       PHE  50  -5.391   3.841   2.082
  406   2HB   PHE  50          1HB       PHE  50  -4.877   2.174   2.334
  407    HD1  PHE  50           2HD      PHE  50  -2.583   2.165   0.357
  408    HD2  PHE  50           1HD      PHE  50  -3.750   4.956   3.350
  409    HE1  PHE  50           2HE      PHE  50  -0.254   2.925   0.551
  410    HE2  PHE  50           1HE      PHE  50  -1.421   5.719   3.550
  411    HZ   PHE  50           HZ       PHE  50   0.332   4.703   2.149
  412    H    SER  51           H        SER  51  -7.229   4.141  -0.184
  413    HA   SER  51           HA       SER  51  -9.217   2.325   0.764
  414   1HB   SER  51          2HB       SER  51  -9.140   5.044   0.101
  415   2HB   SER  51          1HB       SER  51 -10.255   4.331  -1.062
  416    HG   SER  51           HG       SER  51 -10.601   4.812   1.578
  417    H    THR  52           H        THR  52  -8.057   3.264  -2.459
  418    HA   THR  52           HA       THR  52  -9.969   1.795  -3.933
  419    HB   THR  52           HB       THR  52  -7.178   2.651  -4.737
  420    HG1  THR  52           1HG      THR  52  -8.389   4.442  -4.215
  421   1HG2  THR  52          1HG2      THR  52  -8.668   2.771  -6.995
  422   2HG2  THR  52          2HG2      THR  52  -9.318   1.322  -6.230
  423   3HG2  THR  52          3HG2      THR  52  -7.592   1.440  -6.570
  424    H    MET  53           H        MET  53  -6.663   0.990  -2.870
  425    HA   MET  53           HA       MET  53  -6.597  -1.548  -4.115
  426   1HB   MET  53          2HB       MET  53  -4.633  -2.001  -2.766
  427   2HB   MET  53          1HB       MET  53  -4.559  -0.362  -3.396
  428   1HG   MET  53          2HG       MET  53  -5.317   0.486  -1.219
  429   2HG   MET  53          1HG       MET  53  -5.324  -1.163  -0.596
  430   1HE   MET  53          1HE       MET  53  -2.437  -2.151  -2.251
  431   2HE   MET  53          2HE       MET  53  -3.242  -2.706  -0.782
  432   3HE   MET  53          3HE       MET  53  -1.573  -2.141  -0.713
  433    H    LYS  54           H        LYS  54  -7.516  -0.540  -0.821
  434    HA   LYS  54           HA       LYS  54  -7.854  -3.096   0.274
  435   1HB   LYS  54          2HB       LYS  54  -8.026  -0.628   1.301
  436   2HB   LYS  54          1HB       LYS  54  -9.742  -0.958   1.115
  437   1HG   LYS  54          2HG       LYS  54  -7.933  -2.901   2.503
  438   2HG   LYS  54          1HG       LYS  54  -8.623  -1.517   3.351
  439   1HD   LYS  54          2HD       LYS  54 -10.288  -3.506   1.817
  440   2HD   LYS  54          1HD       LYS  54  -9.914  -3.683   3.531
  441   1HE   LYS  54          2HE       LYS  54 -11.835  -2.540   3.811
  442   2HE   LYS  54          1HE       LYS  54 -10.816  -1.138   3.497
  443   1HZ   LYS  54          1HZ       LYS  54 -11.719  -0.824   1.456
  444   2HZ   LYS  54          2HZ       LYS  54 -13.043  -1.595   2.168
  445   3HZ   LYS  54          3HZ       LYS  54 -11.992  -2.471   1.175
  446    H    GLU  55           H        GLU  55 -10.170  -1.024  -1.456
  447    HA   GLU  55           HA       GLU  55 -12.410  -2.716  -1.181
  448   1HB   GLU  55          2HB       GLU  55 -11.894  -0.236  -2.337
  449   2HB   GLU  55          1HB       GLU  55 -12.369  -1.248  -3.695
  450   1HG   GLU  55          2HG       GLU  55 -14.479  -1.671  -2.796
  451   2HG   GLU  55          1HG       GLU  55 -13.995  -1.155  -1.182
  452    H    LYS  56           H        LYS  56  -9.808  -2.584  -3.556
  453    HA   LYS  56           HA       LYS  56 -10.914  -4.459  -5.372
  454   1HB   LYS  56          2HB       LYS  56  -8.398  -3.015  -5.042
  455   2HB   LYS  56          1HB       LYS  56  -8.167  -4.637  -5.678
  456   1HG   LYS  56          2HG       LYS  56  -8.833  -4.002  -7.687
  457   2HG   LYS  56          1HG       LYS  56 -10.347  -3.369  -7.038
  458   1HD   LYS  56          2HD       LYS  56  -8.794  -1.380  -6.274
  459   2HD   LYS  56          1HD       LYS  56  -7.773  -1.967  -7.587
  460   1HE   LYS  56          2HE       LYS  56 -10.699  -1.351  -7.931
  461   2HE   LYS  56          1HE       LYS  56  -9.432  -0.151  -8.183
  462   1HZ   LYS  56          1HZ       LYS  56 -10.112  -2.503  -9.788
  463   2HZ   LYS  56          2HZ       LYS  56  -8.485  -2.045  -9.719
  464   3HZ   LYS  56          3HZ       LYS  56  -9.648  -0.955 -10.285
  465    H    ILE  57           H        ILE  57  -8.614  -4.794  -2.663
  466    HA   ILE  57           HA       ILE  57  -8.006  -7.497  -3.048
  467    HB   ILE  57           HB       ILE  57  -8.193  -6.129  -0.364
  468   1HG1  ILE  57          2HG1      ILE  57  -5.577  -6.423  -1.725
  469   2HG1  ILE  57          1HG1      ILE  57  -6.662  -5.215  -2.405
  470   1HG2  ILE  57          1HG2      ILE  57  -6.227  -7.825  -0.014
  471   2HG2  ILE  57          2HG2      ILE  57  -7.000  -8.674  -1.353
  472   3HG2  ILE  57          3HG2      ILE  57  -7.903  -8.356   0.129
  473   1HD1  ILE  57          1HD1      ILE  57  -5.932  -3.809  -0.864
  474   2HD1  ILE  57          2HD1      ILE  57  -5.035  -5.088  -0.051
  475   3HD1  ILE  57          3HD1      ILE  57  -6.727  -4.804   0.354
  476    H    LYS  58           H        LYS  58 -10.702  -5.984  -1.314
  477    HA   LYS  58           HA       LYS  58 -11.755  -8.279  -0.105
  478   1HB   LYS  58          2HB       LYS  58 -12.432  -5.627  -0.159
  479   2HB   LYS  58          1HB       LYS  58 -13.752  -6.347  -1.071
  480   1HG   LYS  58          2HG       LYS  58 -12.991  -7.605   1.510
  481   2HG   LYS  58          1HG       LYS  58 -13.852  -6.065   1.548
  482   1HD   LYS  58          2HD       LYS  58 -15.645  -7.011   0.201
  483   2HD   LYS  58          1HD       LYS  58 -14.774  -8.541   0.088
  484   1HE   LYS  58          2HE       LYS  58 -15.238  -7.527   2.818
  485   2HE   LYS  58          1HE       LYS  58 -16.680  -8.014   1.928
  486   1HZ   LYS  58          1HZ       LYS  58 -15.661 -10.175   1.540
  487   2HZ   LYS  58          2HZ       LYS  58 -15.768  -9.851   3.197
  488   3HZ   LYS  58          3HZ       LYS  58 -14.282  -9.705   2.402
  489    H    ASN  59           H        ASN  59 -11.814  -7.272  -3.432
  490    HA   ASN  59           HA       ASN  59 -13.851  -9.285  -4.088
  491   1HB   ASN  59          2HB       ASN  59 -12.869  -6.795  -5.401
  492   2HB   ASN  59          1HB       ASN  59 -13.460  -8.090  -6.435
  493   1HD2  ASN  59          1HD2      ASN  59 -14.316  -5.900  -3.830
  494   2HD2  ASN  59          2HD2      ASN  59 -16.024  -5.982  -4.076
  495    H    ASN  60           H        ASN  60 -10.871  -9.684  -3.443
  496    HA   ASN  60           HA       ASN  60  -9.197 -11.066  -4.083
  497   1HB   ASN  60          2HB       ASN  60 -11.542 -12.246  -5.110
  498   2HB   ASN  60          1HB       ASN  60 -10.339 -12.347  -6.391
  499   1HD2  ASN  60          1HD2      ASN  60 -10.608 -12.816  -2.885
  500   2HD2  ASN  60          2HD2      ASN  60  -9.633 -14.241  -2.832
  501    H    ASP  61           H        ASP  61  -9.722  -8.413  -5.473
  502    HA   ASP  61           HA       ASP  61  -8.672  -8.690  -8.118
  503   1HB   ASP  61          2HB       ASP  61  -9.000  -6.332  -6.265
  504   2HB   ASP  61          1HB       ASP  61  -8.278  -6.176  -7.861
  505    H    TYR  62           H        TYR  62  -7.340  -8.148  -4.928
  506    HA   TYR  62           HA       TYR  62  -4.634  -8.308  -6.066
  507   1HB   TYR  62          2HB       TYR  62  -5.611  -6.718  -3.688
  508   2HB   TYR  62          1HB       TYR  62  -3.908  -6.987  -4.041
  509    HD1  TYR  62           1HD      TYR  62  -3.401  -6.482  -6.695
  510    HD2  TYR  62           2HD      TYR  62  -6.394  -4.642  -4.301
  511    HE1  TYR  62           1HE      TYR  62  -3.411  -4.546  -8.209
  512    HE2  TYR  62           2HE      TYR  62  -6.413  -2.699  -5.806
  513    HH   TYR  62           HH       TYR  62  -4.261  -2.524  -8.624
  514    H    GLN  63           H        GLN  63  -3.946 -10.292  -5.722
  515    HA   GLN  63           HA       GLN  63  -3.933 -11.344  -3.008
  516   1HB   GLN  63          2HB       GLN  63  -5.931 -12.265  -4.375
  517   2HB   GLN  63          1HB       GLN  63  -4.718 -13.163  -5.277
  518   1HG   GLN  63          2HG       GLN  63  -3.944 -14.126  -3.100
  519   2HG   GLN  63          1HG       GLN  63  -5.346 -13.369  -2.345
  520   1HE2  GLN  63          1HE2      GLN  63  -7.266 -14.374  -2.442
  521   2HE2  GLN  63          2HE2      GLN  63  -7.573 -15.828  -3.321
  522    H    SER  64           H        SER  64  -2.093 -10.241  -5.164
  523    HA   SER  64           HA       SER  64  -0.109 -12.402  -5.049
  524   1HB   SER  64          2HB       SER  64   0.065 -10.432  -7.276
  525   2HB   SER  64          1HB       SER  64   0.483 -12.144  -7.256
  526    HG   SER  64           HG       SER  64  -1.768 -12.603  -7.333
  527    H    ILE  65           H        ILE  65   1.765 -11.818  -4.167
  528    HA   ILE  65           HA       ILE  65   2.092  -9.492  -2.729
  529    HB   ILE  65           HB       ILE  65   4.597 -10.047  -2.842
  530   1HG1  ILE  65          2HG1      ILE  65   3.600 -12.655  -3.975
  531   2HG1  ILE  65          1HG1      ILE  65   4.306 -11.402  -4.989
  532   1HG2  ILE  65          1HG2      ILE  65   4.351 -11.794  -1.222
  533   2HG2  ILE  65          2HG2      ILE  65   2.735 -12.173  -1.817
  534   3HG2  ILE  65          3HG2      ILE  65   3.040 -10.633  -1.011
  535   1HD1  ILE  65          1HD1      ILE  65   5.742 -13.381  -4.006
  536   2HD1  ILE  65          2HD1      ILE  65   5.843 -12.298  -2.617
  537   3HD1  ILE  65          3HD1      ILE  65   6.407 -11.759  -4.199
  538    H    GLU  66           H        GLU  66   3.091 -10.198  -6.048
  539    HA   GLU  66           HA       GLU  66   4.546  -7.777  -6.425
  540   1HB   GLU  66          2HB       GLU  66   4.471  -8.338  -8.819
  541   2HB   GLU  66          1HB       GLU  66   4.959  -9.720  -7.848
  542   1HG   GLU  66          2HG       GLU  66   2.705 -10.645  -8.023
  543   2HG   GLU  66          1HG       GLU  66   2.205  -9.251  -8.980
  544    H    GLU  67           H        GLU  67   1.212  -8.776  -7.095
  545    HA   GLU  67           HA       GLU  67   0.434  -6.428  -8.473
  546   1HB   GLU  67          2HB       GLU  67  -0.689  -8.738  -8.404
  547   2HB   GLU  67          1HB       GLU  67  -1.409  -8.211  -6.891
  548   1HG   GLU  67          2HG       GLU  67  -3.059  -7.701  -8.389
  549   2HG   GLU  67          1HG       GLU  67  -2.193  -6.167  -8.289
  550    H    LEU  68           H        LEU  68   0.007  -7.455  -5.096
  551    HA   LEU  68           HA       LEU  68  -1.309  -5.068  -4.281
  552   1HB   LEU  68          2HB       LEU  68  -0.990  -5.891  -2.002
  553   2HB   LEU  68          1HB       LEU  68  -1.618  -7.137  -3.061
  554    HG   LEU  68           HG       LEU  68   0.984  -7.730  -3.250
  555   1HD1  LEU  68          1HD1      LEU  68   0.970  -5.781  -1.245
  556   2HD1  LEU  68          2HD1      LEU  68   2.293  -6.853  -1.701
  557   3HD1  LEU  68          3HD1      LEU  68   1.179  -7.325  -0.419
  558   1HD2  LEU  68          1HD2      LEU  68   0.113  -9.603  -2.452
  559   2HD2  LEU  68          2HD2      LEU  68  -1.276  -8.716  -1.830
  560   3HD2  LEU  68          3HD2      LEU  68   0.158  -8.922  -0.826
  561    H    LYS  69           H        LYS  69   2.061  -6.187  -4.066
  562    HA   LYS  69           HA       LYS  69   3.034  -4.003  -2.577
  563   1HB   LYS  69          2HB       LYS  69   4.288  -6.104  -2.855
  564   2HB   LYS  69          1HB       LYS  69   4.512  -5.744  -4.561
  565   1HG   LYS  69          2HG       LYS  69   5.841  -3.792  -3.998
  566   2HG   LYS  69          1HG       LYS  69   5.573  -4.090  -2.280
  567   1HD   LYS  69          2HD       LYS  69   7.200  -5.617  -2.199
  568   2HD   LYS  69          1HD       LYS  69   6.599  -6.436  -3.643
  569   1HE   LYS  69          2HE       LYS  69   7.873  -5.113  -5.073
  570   2HE   LYS  69          1HE       LYS  69   8.091  -3.848  -3.864
  571   1HZ   LYS  69          1HZ       LYS  69   9.335  -6.545  -3.814
  572   2HZ   LYS  69          2HZ       LYS  69   9.514  -5.370  -2.609
  573   3HZ   LYS  69          3HZ       LYS  69  10.122  -5.088  -4.163
  574    H    ASP  70           H        ASP  70   2.760  -4.557  -6.072
  575    HA   ASP  70           HA       ASP  70   4.095  -2.252  -6.939
  576   1HB   ASP  70          2HB       ASP  70   2.165  -4.156  -8.137
  577   2HB   ASP  70          1HB       ASP  70   2.244  -2.573  -8.896
  578    H    ASN  71           H        ASN  71   0.675  -2.768  -6.125
  579    HA   ASN  71           HA       ASN  71  -0.204  -0.178  -6.838
  580   1HB   ASN  71          2HB       ASN  71  -1.374  -2.535  -5.813
  581   2HB   ASN  71          1HB       ASN  71  -1.774  -1.250  -4.676
  582   1HD2  ASN  71          1HD2      ASN  71  -1.407  -1.379  -8.211
  583   2HD2  ASN  71          2HD2      ASN  71  -2.960  -0.709  -8.560
  584    H    PHE  72           H        PHE  72   0.740  -1.541  -3.673
  585    HA   PHE  72           HA       PHE  72   0.332   0.812  -2.177
  586   1HB   PHE  72          2HB       PHE  72   0.592  -1.372  -1.101
  587   2HB   PHE  72          1HB       PHE  72   2.250  -1.482  -1.676
  588    HD1  PHE  72           1HD      PHE  72   0.090   0.832   0.309
  589    HD2  PHE  72           2HD      PHE  72   3.924  -0.948  -0.193
  590    HE1  PHE  72           1HE      PHE  72   0.870   1.935   2.367
  591    HE2  PHE  72           2HE      PHE  72   4.709   0.152   1.864
  592    HZ   PHE  72           HZ       PHE  72   3.180   1.596   3.146
  593    H    LYS  73           H        LYS  73   3.235  -0.486  -3.761
  594    HA   LYS  73           HA       LYS  73   4.974   1.602  -2.980
  595   1HB   LYS  73          2HB       LYS  73   5.075  -0.683  -4.828
  596   2HB   LYS  73          1HB       LYS  73   6.051   0.687  -5.332
  597   1HG   LYS  73          2HG       LYS  73   7.552  -0.501  -4.081
  598   2HG   LYS  73          1HG       LYS  73   6.920   0.624  -2.879
  599   1HD   LYS  73          2HD       LYS  73   5.167  -1.478  -2.705
  600   2HD   LYS  73          1HD       LYS  73   6.702  -2.288  -3.029
  601   1HE   LYS  73          2HE       LYS  73   7.725  -1.146  -1.144
  602   2HE   LYS  73          1HE       LYS  73   6.230  -0.264  -0.842
  603   1HZ   LYS  73          1HZ       LYS  73   5.295  -2.718  -0.717
  604   2HZ   LYS  73          2HZ       LYS  73   5.972  -1.953   0.630
  605   3HZ   LYS  73          3HZ       LYS  73   6.894  -3.051  -0.268
  606    H    LEU  74           H        LEU  74   2.808   1.194  -5.745
  607    HA   LEU  74           HA       LEU  74   3.780   3.286  -7.336
  608   1HB   LEU  74          2HB       LEU  74   1.252   1.762  -7.148
  609   2HB   LEU  74          1HB       LEU  74   1.128   3.339  -7.904
  610    HG   LEU  74           HG       LEU  74   2.929   1.084  -8.793
  611   1HD1  LEU  74          1HD1      LEU  74   0.943   0.406  -9.644
  612   2HD1  LEU  74          2HD1      LEU  74   1.354   1.583 -10.891
  613   3HD1  LEU  74          3HD1      LEU  74   0.242   2.023  -9.594
  614   1HD2  LEU  74          1HD2      LEU  74   2.810   3.954  -9.497
  615   2HD2  LEU  74          2HD2      LEU  74   2.984   2.814 -10.830
  616   3HD2  LEU  74          3HD2      LEU  74   4.169   2.832  -9.525
  617    H    MET  75           H        MET  75   1.266   3.311  -4.793
  618    HA   MET  75           HA       MET  75   0.658   6.064  -5.091
  619   1HB   MET  75          2HB       MET  75  -0.558   4.089  -3.763
  620   2HB   MET  75          1HB       MET  75   0.319   4.808  -2.421
  621   1HG   MET  75          2HG       MET  75  -0.829   6.963  -3.784
  622   2HG   MET  75          1HG       MET  75  -2.070   5.710  -3.744
  623   1HE   MET  75          1HE       MET  75   0.801   6.333  -1.104
  624   2HE   MET  75          2HE       MET  75  -0.013   7.433   0.007
  625   3HE   MET  75          3HE       MET  75   0.342   7.948  -1.640
  626    H    CYS  76           H        CYS  76   2.925   4.328  -2.983
  627    HA   CYS  76           HA       CYS  76   3.735   6.565  -1.454
  628   1HB   CYS  76          2HB       CYS  76   4.783   3.827  -1.943
  629   2HB   CYS  76          1HB       CYS  76   5.936   5.016  -1.351
  630    HG   CYS  76           HG       CYS  76   4.887   4.955   0.878
  631    H    THR  77           H        THR  77   5.164   5.033  -4.334
  632    HA   THR  77           HA       THR  77   7.283   6.893  -4.619
  633    HB   THR  77           HB       THR  77   6.014   5.144  -6.739
  634    HG1  THR  77           1HG      THR  77   6.983   3.556  -5.800
  635   1HG2  THR  77          1HG2      THR  77   8.871   6.023  -6.682
  636   2HG2  THR  77          2HG2      THR  77   7.627   6.997  -7.465
  637   3HG2  THR  77          3HG2      THR  77   7.937   5.351  -8.018
  638    H    ASN  78           H        ASN  78   4.014   6.719  -5.982
  639    HA   ASN  78           HA       ASN  78   4.311   8.929  -7.742
  640   1HB   ASN  78          2HB       ASN  78   1.901   7.513  -6.605
  641   2HB   ASN  78          1HB       ASN  78   1.767   8.875  -7.701
  642   1HD2  ASN  78          1HD2      ASN  78   0.570   6.837  -8.671
  643   2HD2  ASN  78          2HD2      ASN  78   1.486   5.968  -9.838
  644    H    ALA  79           H        ALA  79   3.341   8.591  -4.379
  645    HA   ALA  79           HA       ALA  79   2.308  11.235  -4.098
  646   1HB   ALA  79          1HB       ALA  79   3.091   9.085  -2.165
  647   2HB   ALA  79          2HB       ALA  79   1.500   9.774  -2.486
  648   3HB   ALA  79          3HB       ALA  79   2.702  10.708  -1.597
  649    H    MET  80           H        MET  80   5.452   9.718  -3.413
  650    HA   MET  80           HA       MET  80   6.599  12.074  -2.294
  651   1HB   MET  80          2HB       MET  80   8.735  10.891  -2.425
  652   2HB   MET  80          1HB       MET  80   7.480   9.864  -1.748
  653   1HG   MET  80          2HG       MET  80   7.628   8.374  -3.408
  654   2HG   MET  80          1HG       MET  80   7.805   9.615  -4.646
  655   1HE   MET  80          1HE       MET  80  11.494  10.112  -5.107
  656   2HE   MET  80          2HE       MET  80  10.360  11.202  -4.308
  657   3HE   MET  80          3HE       MET  80   9.853  10.291  -5.730
  658    H    ILE  81           H        ILE  81   6.424  10.786  -5.580
  659    HA   ILE  81           HA       ILE  81   8.385  12.536  -6.664
  660    HB   ILE  81           HB       ILE  81   7.754  10.527  -7.889
  661   1HG1  ILE  81          2HG1      ILE  81   6.791  12.627  -9.747
  662   2HG1  ILE  81          1HG1      ILE  81   8.339  12.930  -8.963
  663   1HG2  ILE  81          1HG2      ILE  81   5.396  10.416  -7.322
  664   2HG2  ILE  81          2HG2      ILE  81   5.616  10.359  -9.068
  665   3HG2  ILE  81          3HG2      ILE  81   5.076  11.849  -8.296
  666   1HD1  ILE  81          1HD1      ILE  81   7.582  10.828 -10.921
  667   2HD1  ILE  81          2HD1      ILE  81   8.875  10.502  -9.768
  668   3HD1  ILE  81          3HD1      ILE  81   9.002  11.872 -10.873
  669    H    TYR  82           H        TYR  82   4.836  12.741  -6.364
  670    HA   TYR  82           HA       TYR  82   4.924  15.467  -7.427
  671   1HB   TYR  82          2HB       TYR  82   3.169  13.801  -8.186
  672   2HB   TYR  82          1HB       TYR  82   2.467  13.923  -6.575
  673    HD1  TYR  82           2HD      TYR  82   3.895  16.596  -8.756
  674    HD2  TYR  82           1HD      TYR  82   0.426  15.000  -6.880
  675    HE1  TYR  82           2HE      TYR  82   2.613  18.570  -9.463
  676    HE2  TYR  82           1HE      TYR  82  -0.863  16.968  -7.583
  677    HH   TYR  82           HH       TYR  82   0.165  19.120  -9.908
  678    H    ASN  83           H        ASN  83   6.077  14.790  -4.805
  679    HA   ASN  83           HA       ASN  83   5.035  16.967  -3.321
  680   1HB   ASN  83          2HB       ASN  83   3.487  14.795  -2.923
  681   2HB   ASN  83          1HB       ASN  83   4.729  14.489  -1.710
  682   1HD2  ASN  83          1HD2      ASN  83   5.198  16.313  -0.220
  683   2HD2  ASN  83          2HD2      ASN  83   3.873  17.299   0.287
  684    H    LYS  84           H        LYS  84   7.151  17.645  -3.253
  685    HA   LYS  84           HA       LYS  84   9.289  15.970  -2.349
  686   1HB   LYS  84          2HB       LYS  84   9.006  18.891  -2.991
  687   2HB   LYS  84          1HB       LYS  84  10.453  18.312  -2.180
  688   1HG   LYS  84          2HG       LYS  84   9.518  16.999  -4.694
  689   2HG   LYS  84          1HG       LYS  84  10.419  18.516  -4.759
  690   1HD   LYS  84          2HD       LYS  84  12.360  17.526  -4.186
  691   2HD   LYS  84          1HD       LYS  84  11.587  16.475  -2.999
  692   1HE   LYS  84          2HE       LYS  84  11.175  15.986  -5.919
  693   2HE   LYS  84          1HE       LYS  84  12.668  15.458  -5.143
  694   1HZ   LYS  84          1HZ       LYS  84  10.174  14.742  -3.807
  695   2HZ   LYS  84          2HZ       LYS  84  11.604  13.856  -3.980
  696   3HZ   LYS  84          3HZ       LYS  84  10.506  13.946  -5.262
  697    HA   PRO  85           HA       PRO  85   9.320  16.489   2.034
  698   1HB   PRO  85          2HB       PRO  85  11.966  17.830   1.970
  699   2HB   PRO  85          1HB       PRO  85  11.483  16.335   2.775
  700   1HG   PRO  85          2HG       PRO  85  13.003  16.279   0.588
  701   2HG   PRO  85          1HG       PRO  85  11.738  15.064   0.851
  702   1HD   PRO  85          2HD       PRO  85  11.706  17.481  -0.917
  703   2HD   PRO  85          1HD       PRO  85  11.092  15.845  -1.234
  704    H    GLU  86           H        GLU  86   7.650  18.198   1.595
  705    HA   GLU  86           HA       GLU  86   8.436  20.955   1.870
  706   1HB   GLU  86          2HB       GLU  86   5.910  19.464   1.441
  707   2HB   GLU  86          1HB       GLU  86   5.765  21.015   2.256
  708   1HG   GLU  86          2HG       GLU  86   7.218  20.679  -0.349
  709   2HG   GLU  86          1HG       GLU  86   5.492  21.025  -0.247
  710    H    THR  87           H        THR  87   6.369  18.822   3.857
  711    HA   THR  87           HA       THR  87   7.440  20.113   6.254
  712    HB   THR  87           HB       THR  87   5.107  20.187   7.207
  713    HG1  THR  87           1HG      THR  87   4.440  19.602   4.515
  714   1HG2  THR  87          1HG2      THR  87   5.935  21.911   4.930
  715   2HG2  THR  87          2HG2      THR  87   5.757  22.304   6.640
  716   3HG2  THR  87          3HG2      THR  87   4.328  22.102   5.628
  717    H    ILE  88           H        ILE  88   4.705  17.887   5.935
  718    HA   ILE  88           HA       ILE  88   6.345  15.759   7.136
  719    HB   ILE  88           HB       ILE  88   4.417  15.051   8.498
  720   1HG1  ILE  88          2HG1      ILE  88   2.707  16.232   6.999
  721   2HG1  ILE  88          1HG1      ILE  88   2.437  16.320   8.735
  722   1HG2  ILE  88          1HG2      ILE  88   4.451  17.369   9.888
  723   2HG2  ILE  88          2HG2      ILE  88   5.870  17.574   8.863
  724   3HG2  ILE  88          3HG2      ILE  88   5.742  16.168   9.920
  725   1HD1  ILE  88          1HD1      ILE  88   3.993  18.565   8.001
  726   2HD1  ILE  88          2HD1      ILE  88   2.333  18.520   8.590
  727   3HD1  ILE  88          3HD1      ILE  88   2.657  18.432   6.859
  728    H    TYR  89           H        TYR  89   4.671  16.576   4.444
  729    HA   TYR  89           HA       TYR  89   3.059  14.269   4.009
  730   1HB   TYR  89          2HB       TYR  89   3.984  16.577   2.388
  731   2HB   TYR  89          1HB       TYR  89   3.562  15.121   1.496
  732    HD1  TYR  89           1HD      TYR  89   1.241  14.028   2.358
  733    HD2  TYR  89           2HD      TYR  89   2.317  18.134   2.656
  734    HE1  TYR  89           1HE      TYR  89  -1.140  14.639   2.468
  735    HE2  TYR  89           2HE      TYR  89  -0.058  18.755   2.771
  736    HH   TYR  89           HH       TYR  89  -2.260  17.507   3.524
  737    H    TYR  90           H        TYR  90   6.326  15.211   2.936
  738    HA   TYR  90           HA       TYR  90   6.834  12.849   1.456
  739   1HB   TYR  90          2HB       TYR  90   8.122  15.050   1.343
  740   2HB   TYR  90          1HB       TYR  90   8.950  14.529   2.806
  741    HD1  TYR  90           2HD      TYR  90  10.221  12.301   2.718
  742    HD2  TYR  90           1HD      TYR  90   8.877  14.350  -0.761
  743    HE1  TYR  90           2HE      TYR  90  11.830  11.036   1.358
  744    HE2  TYR  90           1HE      TYR  90  10.480  13.087  -2.131
  745    HH   TYR  90           HH       TYR  90  13.020  11.311  -0.830
  746    H    LYS  91           H        LYS  91   7.698  13.785   4.783
  747    HA   LYS  91           HA       LYS  91   9.076  11.435   5.455
  748   1HB   LYS  91          2HB       LYS  91   8.237  13.800   6.796
  749   2HB   LYS  91          1HB       LYS  91   7.717  12.427   7.764
  750   1HG   LYS  91          2HG       LYS  91  10.197  11.627   7.289
  751   2HG   LYS  91          1HG       LYS  91  10.450  13.364   7.107
  752   1HD   LYS  91          2HD       LYS  91   8.840  12.760   9.438
  753   2HD   LYS  91          1HD       LYS  91  10.392  11.922   9.488
  754   1HE   LYS  91          2HE       LYS  91  11.016  13.897  10.436
  755   2HE   LYS  91          1HE       LYS  91  11.289  14.297   8.741
  756   1HZ   LYS  91          1HZ       LYS  91  10.047  16.077   9.330
  757   2HZ   LYS  91          2HZ       LYS  91   9.231  15.266  10.568
  758   3HZ   LYS  91          3HZ       LYS  91   8.766  15.035   8.959
  759    H    ALA  92           H        ALA  92   5.637  12.273   5.710
  760    HA   ALA  92           HA       ALA  92   4.746  10.042   7.136
  761   1HB   ALA  92          1HB       ALA  92   2.613  10.531   5.568
  762   2HB   ALA  92          2HB       ALA  92   3.500  12.038   5.347
  763   3HB   ALA  92          3HB       ALA  92   3.036  11.518   6.967
  764    H    ALA  93           H        ALA  93   5.068  10.508   3.618
  765    HA   ALA  93           HA       ALA  93   4.100   7.958   2.878
  766   1HB   ALA  93          1HB       ALA  93   4.293   9.927   1.353
  767   2HB   ALA  93          2HB       ALA  93   4.940   8.428   0.687
  768   3HB   ALA  93          3HB       ALA  93   6.036   9.660   1.312
  769    H    LYS  94           H        LYS  94   7.403   9.188   3.391
  770    HA   LYS  94           HA       LYS  94   8.769   6.836   2.678
  771   1HB   LYS  94          2HB       LYS  94   9.424   9.317   4.157
  772   2HB   LYS  94          1HB       LYS  94  10.456   7.932   4.483
  773   1HG   LYS  94          2HG       LYS  94  10.026   8.250   1.651
  774   2HG   LYS  94          1HG       LYS  94  10.659   9.730   2.371
  775   1HD   LYS  94          2HD       LYS  94  12.647   8.706   2.040
  776   2HD   LYS  94          1HD       LYS  94  12.248   7.920   3.569
  777   1HE   LYS  94          2HE       LYS  94  10.977   6.308   1.778
  778   2HE   LYS  94          1HE       LYS  94  12.390   6.815   0.853
  779   1HZ   LYS  94          1HZ       LYS  94  12.736   4.764   2.157
  780   2HZ   LYS  94          2HZ       LYS  94  12.512   5.652   3.581
  781   3HZ   LYS  94          3HZ       LYS  94  13.821   5.998   2.565
  782    H    LYS  95           H        LYS  95   7.691   8.003   5.869
  783    HA   LYS  95           HA       LYS  95   8.693   5.857   7.379
  784   1HB   LYS  95          2HB       LYS  95   7.070   8.163   7.840
  785   2HB   LYS  95          1HB       LYS  95   6.274   6.778   8.572
  786   1HG   LYS  95          2HG       LYS  95   9.155   6.958   9.092
  787   2HG   LYS  95          1HG       LYS  95   8.189   8.271   9.766
  788   1HD   LYS  95          2HD       LYS  95   7.057   6.892  11.194
  789   2HD   LYS  95          1HD       LYS  95   7.199   5.492  10.129
  790   1HE   LYS  95          2HE       LYS  95   9.793   5.891  10.747
  791   2HE   LYS  95          1HE       LYS  95   9.030   6.490  12.218
  792   1HZ   LYS  95          1HZ       LYS  95   7.703   4.244  11.966
  793   2HZ   LYS  95          2HZ       LYS  95   9.207   4.302  12.738
  794   3HZ   LYS  95          3HZ       LYS  95   9.102   3.775  11.133
  795    H    LEU  96           H        LEU  96   5.523   6.345   5.855
  796    HA   LEU  96           HA       LEU  96   4.353   3.943   6.780
  797   1HB   LEU  96          2HB       LEU  96   3.451   6.145   5.453
  798   2HB   LEU  96          1HB       LEU  96   3.454   4.961   4.163
  799    HG   LEU  96           HG       LEU  96   1.954   3.525   5.418
  800   1HD1  LEU  96          1HD1      LEU  96   1.877   3.612   7.632
  801   2HD1  LEU  96          2HD1      LEU  96   1.088   5.185   7.525
  802   3HD1  LEU  96          3HD1      LEU  96   2.845   5.085   7.640
  803   1HD2  LEU  96          1HD2      LEU  96   1.274   6.331   4.812
  804   2HD2  LEU  96          2HD2      LEU  96   0.106   5.437   5.783
  805   3HD2  LEU  96          3HD2      LEU  96   0.578   4.832   4.198
  806    H    LEU  97           H        LEU  97   6.358   4.703   3.986
  807    HA   LEU  97           HA       LEU  97   5.910   2.331   2.520
  808   1HB   LEU  97          2HB       LEU  97   7.177   4.598   1.944
  809   2HB   LEU  97          1HB       LEU  97   8.574   3.664   2.438
  810    HG   LEU  97           HG       LEU  97   6.651   2.834   0.260
  811   1HD1  LEU  97          1HD1      LEU  97   7.970   3.814  -1.305
  812   2HD1  LEU  97          2HD1      LEU  97   9.433   3.662  -0.334
  813   3HD1  LEU  97          3HD1      LEU  97   8.267   4.936   0.024
  814   1HD2  LEU  97          1HD2      LEU  97   8.858   1.443  -0.241
  815   2HD2  LEU  97          2HD2      LEU  97   7.603   0.850   0.846
  816   3HD2  LEU  97          3HD2      LEU  97   9.052   1.608   1.505
  817    H    HIS  98           H        HIS  98   8.397   3.203   4.915
  818    HA   HIS  98           HA       HIS  98   9.823   0.767   4.786
  819   1HB   HIS  98          2HB       HIS  98   9.725   3.084   6.638
  820   2HB   HIS  98          1HB       HIS  98  10.356   1.582   7.301
  821    HD1  HIS  98           1HD      HIS  98  12.750   1.090   6.832
  822    HD2  HIS  98           2HD      HIS  98  11.200   3.947   4.244
  823    HE1  HIS  98           1HE      HIS  98  14.709   1.910   5.486
  824    HE2  HIS  98           2HE      HIS  98  13.762   3.688   3.977
  825    H    SER  99           H        SER  99   7.188   1.875   6.888
  826    HA   SER  99           HA       SER  99   7.081  -0.451   8.505
  827   1HB   SER  99          2HB       SER  99   6.063   1.781   9.090
  828   2HB   SER  99          1HB       SER  99   4.797   1.446   7.909
  829    HG   SER  99           HG       SER  99   5.212   0.362  10.424
  830    H    GLY 100           H        GLY 100   5.444   0.503   5.512
  831   1HA   GLY 100          2HA       GLY 100   3.662  -1.707   5.412
  832   2HA   GLY 100          1HA       GLY 100   4.109  -0.677   4.058
  833    H    MET 101           H        MET 101   6.981  -1.260   4.312
  834    HA   MET 101           HA       MET 101   7.066  -3.574   2.660
  835   1HB   MET 101          2HB       MET 101   9.063  -1.674   3.783
  836   2HB   MET 101          1HB       MET 101   9.655  -3.246   3.262
  837   1HG   MET 101          2HG       MET 101   7.887  -1.903   1.351
  838   2HG   MET 101          1HG       MET 101   9.411  -1.078   1.665
  839   1HE   MET 101          1HE       MET 101  11.876  -2.851   1.610
  840   2HE   MET 101          2HE       MET 101  11.412  -1.474   0.610
  841   3HE   MET 101          3HE       MET 101  12.000  -2.955  -0.146
  842    H    LYS 102           H        LYS 102   8.111  -2.951   6.011
  843    HA   LYS 102           HA       LYS 102   9.140  -5.519   6.502
  844   1HB   LYS 102          2HB       LYS 102   8.921  -4.953   8.905
  845   2HB   LYS 102          1HB       LYS 102   9.722  -3.704   7.968
  846   1HG   LYS 102          2HG       LYS 102   7.955  -2.233   8.172
  847   2HG   LYS 102          1HG       LYS 102   6.789  -3.514   8.494
  848   1HD   LYS 102          2HD       LYS 102   7.234  -2.234  10.515
  849   2HD   LYS 102          1HD       LYS 102   7.813  -3.892  10.688
  850   1HE   LYS 102          2HE       LYS 102   9.501  -2.496  11.585
  851   2HE   LYS 102          1HE       LYS 102  10.090  -3.044  10.017
  852   1HZ   LYS 102          1HZ       LYS 102   9.279  -0.898   9.092
  853   2HZ   LYS 102          2HZ       LYS 102  10.537  -0.729  10.212
  854   3HZ   LYS 102          3HZ       LYS 102   8.945  -0.385  10.669
  855    H    ILE 103           H        ILE 103   5.863  -4.216   6.922
  856    HA   ILE 103           HA       ILE 103   4.829  -6.517   8.228
  857    HB   ILE 103           HB       ILE 103   2.630  -5.562   7.788
  858   1HG1  ILE 103          2HG1      ILE 103   4.080  -3.414   6.249
  859   2HG1  ILE 103          1HG1      ILE 103   3.082  -4.671   5.527
  860   1HG2  ILE 103          1HG2      ILE 103   4.667  -4.450   9.329
  861   2HG2  ILE 103          2HG2      ILE 103   2.927  -4.258   9.549
  862   3HG2  ILE 103          3HG2      ILE 103   3.830  -3.086   8.589
  863   1HD1  ILE 103          1HD1      ILE 103   2.226  -2.392   7.273
  864   2HD1  ILE 103          2HD1      ILE 103   1.185  -3.775   6.936
  865   3HD1  ILE 103          3HD1      ILE 103   1.745  -2.750   5.615
  866    H    LEU 104           H        LEU 104   4.924  -5.454   4.851
  867    HA   LEU 104           HA       LEU 104   3.255  -7.511   3.848
  868   1HB   LEU 104          2HB       LEU 104   4.377  -5.237   2.819
  869   2HB   LEU 104          1HB       LEU 104   5.291  -6.491   2.007
  870    HG   LEU 104           HG       LEU 104   2.292  -6.557   2.035
  871   1HD1  LEU 104          1HD1      LEU 104   3.543  -4.371   1.106
  872   2HD1  LEU 104          2HD1      LEU 104   2.070  -5.028   0.394
  873   3HD1  LEU 104          3HD1      LEU 104   3.640  -5.402  -0.320
  874   1HD2  LEU 104          1HD2      LEU 104   4.366  -8.182   0.961
  875   2HD2  LEU 104          2HD2      LEU 104   3.489  -7.447  -0.379
  876   3HD2  LEU 104          3HD2      LEU 104   2.620  -8.392   0.830
  877    H    SER 105           H        SER 105   6.571  -7.524   4.826
  878    HA   SER 105           HA       SER 105   7.768  -9.376   3.213
  879   1HB   SER 105          2HB       SER 105   8.435  -8.202   5.593
  880   2HB   SER 105          1HB       SER 105   8.252  -9.890   6.074
  881    HG   SER 105           HG       SER 105  10.067  -8.729   4.282
  882    H    GLN 106           H        GLN 106   5.943 -10.171   6.154
  883    HA   GLN 106           HA       GLN 106   5.100 -12.668   4.888
  884   1HB   GLN 106          2HB       GLN 106   5.569 -13.944   6.900
  885   2HB   GLN 106          1HB       GLN 106   7.030 -13.196   6.272
  886   1HG   GLN 106          2HG       GLN 106   5.451 -11.904   8.462
  887   2HG   GLN 106          1HG       GLN 106   6.632 -13.164   8.798
  888   1HE2  GLN 106          1HE2      GLN 106   6.195  -9.905   8.574
  889   2HE2  GLN 106          2HE2      GLN 106   7.836  -9.416   8.349
  890    H    GLU 107           H        GLU 107   4.300  -9.976   6.848
  891    HA   GLU 107           HA       GLU 107   2.277  -9.210   7.538
  892   1HB   GLU 107          2HB       GLU 107   1.181 -10.451   5.754
  893   2HB   GLU 107          1HB       GLU 107   1.221 -11.919   6.721
  894   1HG   GLU 107          2HG       GLU 107  -0.094  -9.604   7.968
  895   2HG   GLU 107          1HG       GLU 107  -0.897 -10.273   6.554
  896    H    ARG 108           H        ARG 108   3.435 -12.311   8.644
  897    HA   ARG 108           HA       ARG 108   3.337 -11.646  11.350
  898   1HB   ARG 108          2HB       ARG 108   0.796 -12.380  10.386
  899   2HB   ARG 108          1HB       ARG 108   1.376 -13.761  11.309
  900   1HG   ARG 108          2HG       ARG 108   1.583 -11.025  12.479
  901   2HG   ARG 108          1HG       ARG 108   0.028 -11.860  12.475
  902   1HD   ARG 108          2HD       ARG 108   0.958 -13.707  13.706
  903   2HD   ARG 108          1HD       ARG 108   2.579 -13.027  13.585
  904    HE   ARG 108           HE       ARG 108   1.117 -11.095  14.851
  905   1HH1  ARG 108          1HH1      ARG 108   1.782 -14.479  15.483
  906   2HH1  ARG 108          2HH1      ARG 108   1.655 -14.309  17.201
  907   1HH2  ARG 108          1HH2      ARG 108   0.957 -10.882  17.122
  908   2HH2  ARG 108          2HH2      ARG 108   1.189 -12.271  18.131
  909    H    LEU 109           H        LEU 109   3.461 -14.138   8.891
  910    HA   LEU 109           HA       LEU 109   4.198 -16.381  10.319
  911   1HB   LEU 109          2HB       LEU 109   4.362 -15.473   7.588
  912   2HB   LEU 109          1HB       LEU 109   5.809 -16.367   8.008
  913    HG   LEU 109           HG       LEU 109   4.153 -17.833   7.002
  914   1HD1  LEU 109          1HD1      LEU 109   4.105 -19.564   8.698
  915   2HD1  LEU 109          2HD1      LEU 109   4.455 -18.374   9.951
  916   3HD1  LEU 109          3HD1      LEU 109   5.661 -18.734   8.715
  917   1HD2  LEU 109          1HD2      LEU 109   2.385 -16.582   9.028
  918   2HD2  LEU 109          2HD2      LEU 109   2.122 -18.286   8.659
  919   3HD2  LEU 109          3HD2      LEU 109   2.039 -17.082   7.373
  920    H    GLU 110           H        GLU 110   6.496 -17.405  10.160
  921    HA   GLU 110           HA       GLU 110   8.516 -15.416  10.954
  922   1HB   GLU 110          2HB       GLU 110   7.728 -17.978  12.314
  923   2HB   GLU 110          1HB       GLU 110   9.354 -17.338  12.493
  924   1HG   GLU 110          2HG       GLU 110   7.504 -15.234  12.985
  925   2HG   GLU 110          1HG       GLU 110   7.020 -16.645  13.924
  926    H    HIS 111           H        HIS 111  10.725 -16.047  10.618
  927    HA   HIS 111           HA       HIS 111  11.024 -17.883   8.347
  928   1HB   HIS 111          2HB       HIS 111  11.931 -15.346   8.628
  929   2HB   HIS 111          1HB       HIS 111  13.326 -16.233   9.226
  930    HD1  HIS 111           1HD      HIS 111  12.405 -14.701   6.299
  931    HD2  HIS 111           2HD      HIS 111  13.686 -18.570   7.112
  932    HE1  HIS 111           1HE      HIS 111  13.306 -15.581   4.124
  933    HE2  HIS 111           2HE      HIS 111  13.972 -17.960   4.614
  934    H    HIS 112           H        HIS 112  10.704 -18.905  11.046
  935    HA   HIS 112           HA       HIS 112  13.375 -19.872  11.741
  936   1HB   HIS 112          2HB       HIS 112  10.909 -19.376  13.201
  937   2HB   HIS 112          1HB       HIS 112  11.556 -20.977  13.541
  938    HD1  HIS 112           1HD      HIS 112  13.598 -17.836  12.952
  939    HD2  HIS 112           2HD      HIS 112  12.661 -20.514  15.990
  940    HE1  HIS 112           1HE      HIS 112  15.078 -17.205  14.884
  941    HE2  HIS 112           2HE      HIS 112  14.407 -18.763  16.747
  942    H    HIS 113           H        HIS 113  13.897 -21.474  10.331
  943    HA   HIS 113           HA       HIS 113  11.977 -23.529   9.633
  944   1HB   HIS 113          2HB       HIS 113  13.703 -22.528   8.042
  945   2HB   HIS 113          1HB       HIS 113  14.902 -23.488   8.903
  946    HD1  HIS 113           1HD      HIS 113  12.002 -23.800   6.557
  947    HD2  HIS 113           2HD      HIS 113  14.847 -26.225   8.370
  948    HE1  HIS 113           1HE      HIS 113  11.854 -26.011   5.371
  949    HE2  HIS 113           2HE      HIS 113  13.624 -27.448   6.446
  950    H    HIS 114           H        HIS 114  14.600 -23.106  11.872
  951    HA   HIS 114           HA       HIS 114  14.948 -25.928  12.389
  952   1HB   HIS 114          2HB       HIS 114  15.979 -23.602  14.025
  953   2HB   HIS 114          1HB       HIS 114  16.599 -25.248  14.005
  954    HD1  HIS 114           1HD      HIS 114  16.521 -22.106  11.929
  955    HD2  HIS 114           2HD      HIS 114  18.445 -25.789  12.009
  956    HE1  HIS 114           1HE      HIS 114  18.338 -21.953  10.197
  957    HE2  HIS 114           2HE      HIS 114  19.565 -24.147  10.352
  958    H    HIS 115           H        HIS 115  12.958 -26.686  13.076
  959    HA   HIS 115           HA       HIS 115  12.105 -25.748  15.731
  960   1HB   HIS 115          2HB       HIS 115   9.768 -26.109  15.092
  961   2HB   HIS 115          1HB       HIS 115  10.530 -24.923  14.037
  962    HD1  HIS 115           1HD      HIS 115   9.218 -28.445  14.044
  963    HD2  HIS 115           2HD      HIS 115  10.683 -25.631  11.362
  964    HE1  HIS 115           1HE      HIS 115   8.743 -29.383  11.760
  965    HE2  HIS 115           2HE      HIS 115   9.648 -27.668  10.150
  966    H    HIS 116           H        HIS 116  10.729 -27.376  16.876
  967    HA   HIS 116           HA       HIS 116  10.321 -29.436  17.727
  968   1HB   HIS 116          2HB       HIS 116   9.944 -29.957  15.198
  969   2HB   HIS 116          1HB       HIS 116  11.498 -30.774  15.309
  970    HD1  HIS 116           1HD      HIS 116  10.708 -33.157  15.107
  971    HD2  HIS 116           2HD      HIS 116   8.690 -31.045  18.065
  972    HE1  HIS 116           1HE      HIS 116   9.346 -34.870  16.347
  973    HE2  HIS 116           2HE      HIS 116   8.237 -33.587  18.210
  Start of MODEL   20
    1   1H    MET   0          1HT       MET   0   1.544 -25.216  -7.681
    2   2H    MET   0          2HT       MET   0   1.528 -26.795  -8.351
    3   3H    MET   0          3HT       MET   0   1.557 -26.584  -6.649
    4    HA   MET   0           HA       MET   0  -0.615 -25.516  -8.301
    5   1HB   MET   0          2HB       MET   0  -1.849 -27.585  -7.910
    6   2HB   MET   0          1HB       MET   0  -0.370 -27.916  -8.800
    7   1HG   MET   0          2HG       MET   0   0.671 -28.543  -6.584
    8   2HG   MET   0          1HG       MET   0  -0.956 -28.479  -5.909
    9   1HE   MET   0          1HE       MET   0  -2.510 -31.669  -6.639
   10   2HE   MET   0          2HE       MET   0  -2.561 -30.048  -5.945
   11   3HE   MET   0          3HE       MET   0  -1.433 -31.245  -5.308
   12    H    GLU   1           H        GLU   1   0.662 -24.363  -6.005
   13    HA   GLU   1           HA       GLU   1  -1.623 -24.353  -4.200
   14   1HB   GLU   1          2HB       GLU   1   0.618 -25.823  -3.531
   15   2HB   GLU   1          1HB       GLU   1   0.897 -24.293  -2.713
   16   1HG   GLU   1          2HG       GLU   1  -0.755 -24.627  -1.230
   17   2HG   GLU   1          1HG       GLU   1  -1.812 -25.387  -2.417
   18    H    GLU   2           H        GLU   2  -2.101 -22.280  -4.897
   19    HA   GLU   2           HA       GLU   2  -0.073 -20.195  -4.583
   20   1HB   GLU   2          2HB       GLU   2  -2.688 -20.416  -5.999
   21   2HB   GLU   2          1HB       GLU   2  -2.170 -18.819  -5.480
   22   1HG   GLU   2          2HG       GLU   2  -0.463 -18.732  -6.970
   23   2HG   GLU   2          1HG       GLU   2  -0.204 -20.473  -6.948
   24    H    VAL   3           H        VAL   3  -0.666 -21.222  -2.168
   25    HA   VAL   3           HA       VAL   3  -1.400 -20.744  -0.065
   26    HB   VAL   3           HB       VAL   3  -1.819 -17.928  -1.033
   27   1HG1  VAL   3          1HG1      VAL   3  -2.451 -17.809   1.135
   28   2HG1  VAL   3          2HG1      VAL   3  -0.712 -17.708   1.405
   29   3HG1  VAL   3          3HG1      VAL   3  -1.546 -19.251   1.594
   30   1HG2  VAL   3          1HG2      VAL   3   0.776 -19.250  -0.240
   31   2HG2  VAL   3          2HG2      VAL   3   0.556 -17.519  -0.502
   32   3HG2  VAL   3          3HG2      VAL   3   0.351 -18.648  -1.842
   33    H    GLU   4           H        GLU   4  -3.373 -21.500  -2.130
   34    HA   GLU   4           HA       GLU   4  -5.594 -21.934  -2.210
   35   1HB   GLU   4          2HB       GLU   4  -5.159 -21.248   0.512
   36   2HB   GLU   4          1HB       GLU   4  -6.659 -20.489   0.000
   37   1HG   GLU   4          2HG       GLU   4  -7.093 -22.899  -1.011
   38   2HG   GLU   4          1HG       GLU   4  -5.973 -23.356   0.270
   39    H    GLN   5           H        GLN   5  -4.329 -18.799  -2.284
   40    HA   GLN   5           HA       GLN   5  -4.973 -16.932  -3.389
   41   1HB   GLN   5          2HB       GLN   5  -7.365 -18.601  -4.171
   42   2HB   GLN   5          1HB       GLN   5  -7.018 -16.999  -4.798
   43   1HG   GLN   5          2HG       GLN   5  -5.986 -18.122  -6.436
   44   2HG   GLN   5          1HG       GLN   5  -4.673 -18.241  -5.268
   45   1HE2  GLN   5          1HE2      GLN   5  -4.146 -20.196  -4.413
   46   2HE2  GLN   5          2HE2      GLN   5  -4.888 -21.682  -4.882
   47    H    THR   6           H        THR   6  -6.906 -18.334  -0.953
   48    HA   THR   6           HA       THR   6  -8.506 -15.920  -0.613
   49    HB   THR   6           HB       THR   6  -9.002 -17.900   1.421
   50    HG1  THR   6           1HG      THR   6  -9.535 -19.630   0.190
   51   1HG2  THR   6          1HG2      THR   6 -10.562 -16.600  -0.757
   52   2HG2  THR   6          2HG2      THR   6 -10.786 -16.521   0.990
   53   3HG2  THR   6          3HG2      THR   6 -11.237 -17.980   0.107
   54    HA   PRO   7           HA       PRO   7  -6.288 -16.511   3.787
   55   1HB   PRO   7          2HB       PRO   7  -3.852 -17.827   2.674
   56   2HB   PRO   7          1HB       PRO   7  -4.623 -18.037   4.249
   57   1HG   PRO   7          2HG       PRO   7  -4.913 -19.868   2.343
   58   2HG   PRO   7          1HG       PRO   7  -6.267 -19.438   3.403
   59   1HD   PRO   7          2HD       PRO   7  -5.779 -18.698   0.560
   60   2HD   PRO   7          1HD       PRO   7  -7.307 -19.011   1.400
   61    H    LEU   8           H        LEU   8  -4.497 -16.080   0.755
   62    HA   LEU   8           HA       LEU   8  -2.557 -14.269   1.620
   63   1HB   LEU   8          2HB       LEU   8  -3.541 -15.260  -0.870
   64   2HB   LEU   8          1HB       LEU   8  -3.411 -13.517  -0.991
   65    HG   LEU   8           HG       LEU   8  -1.062 -14.881   0.166
   66   1HD1  LEU   8          1HD1      LEU   8  -2.121 -16.199  -1.917
   67   2HD1  LEU   8          2HD1      LEU   8  -0.386 -16.069  -1.630
   68   3HD1  LEU   8          3HD1      LEU   8  -1.173 -14.990  -2.782
   69   1HD2  LEU   8          1HD2      LEU   8  -0.924 -13.032  -2.143
   70   2HD2  LEU   8          2HD2      LEU   8   0.059 -13.100  -0.681
   71   3HD2  LEU   8          3HD2      LEU   8  -1.547 -12.375  -0.630
   72    H    GLN   9           H        GLN   9  -5.851 -13.699   0.433
   73    HA   GLN   9           HA       GLN   9  -5.767 -10.885   0.481
   74   1HB   GLN   9          2HB       GLN   9  -7.512 -12.462  -0.588
   75   2HB   GLN   9          1HB       GLN   9  -8.264 -12.485   1.002
   76   1HG   GLN   9          2HG       GLN   9  -8.041  -9.847   0.690
   77   2HG   GLN   9          1HG       GLN   9  -8.120 -10.322  -1.006
   78   1HE2  GLN   9          1HE2      GLN   9 -10.050 -10.811  -1.872
   79   2HE2  GLN   9          2HE2      GLN   9 -11.529 -10.919  -0.985
   80    H    GLU  10           H        GLU  10  -6.751 -13.254   2.939
   81    HA   GLU  10           HA       GLU  10  -7.623 -11.359   4.854
   82   1HB   GLU  10          2HB       GLU  10  -8.030 -13.914   4.769
   83   2HB   GLU  10          1HB       GLU  10  -6.474 -14.042   5.578
   84   1HG   GLU  10          2HG       GLU  10  -7.810 -14.008   7.401
   85   2HG   GLU  10          1HG       GLU  10  -7.592 -12.271   7.200
   86    H    ALA  11           H        ALA  11  -4.510 -12.981   4.324
   87    HA   ALA  11           HA       ALA  11  -3.194 -11.943   6.593
   88   1HB   ALA  11          1HB       ALA  11  -1.129 -12.622   5.498
   89   2HB   ALA  11          2HB       ALA  11  -1.986 -12.817   3.968
   90   3HB   ALA  11          3HB       ALA  11  -2.360 -13.874   5.330
   91    H    LEU  12           H        LEU  12  -3.260 -10.811   3.204
   92    HA   LEU  12           HA       LEU  12  -1.586  -8.571   3.704
   93   1HB   LEU  12          2HB       LEU  12  -2.182  -7.808   1.490
   94   2HB   LEU  12          1HB       LEU  12  -1.812  -9.519   1.474
   95    HG   LEU  12           HG       LEU  12  -4.440  -9.746   1.685
   96   1HD1  LEU  12          1HD1      LEU  12  -4.247  -7.011   1.553
   97   2HD1  LEU  12          2HD1      LEU  12  -5.685  -7.963   1.189
   98   3HD1  LEU  12          3HD1      LEU  12  -4.607  -7.461  -0.113
   99   1HD2  LEU  12          1HD2      LEU  12  -2.531  -9.710  -0.461
  100   2HD2  LEU  12          2HD2      LEU  12  -4.109  -9.174  -1.036
  101   3HD2  LEU  12          3HD2      LEU  12  -3.945 -10.738  -0.239
  102    H    ASN  13           H        ASN  13  -5.096  -9.015   3.670
  103    HA   ASN  13           HA       ASN  13  -5.836  -6.313   3.818
  104   1HB   ASN  13          2HB       ASN  13  -7.160  -8.884   4.595
  105   2HB   ASN  13          1HB       ASN  13  -7.877  -7.368   5.128
  106   1HD2  ASN  13          1HD2      ASN  13  -9.050  -9.257   3.358
  107   2HD2  ASN  13          2HD2      ASN  13  -9.281  -8.470   1.839
  108    H    GLN  14           H        GLN  14  -4.939  -8.624   6.339
  109    HA   GLN  14           HA       GLN  14  -5.558  -6.952   8.542
  110   1HB   GLN  14          2HB       GLN  14  -3.759  -9.346   8.215
  111   2HB   GLN  14          1HB       GLN  14  -3.901  -8.498   9.748
  112   1HG   GLN  14          2HG       GLN  14  -6.236  -9.010   9.885
  113   2HG   GLN  14          1HG       GLN  14  -6.226  -9.691   8.259
  114   1HE2  GLN  14          1HE2      GLN  14  -5.453 -11.741   7.931
  115   2HE2  GLN  14          2HE2      GLN  14  -5.049 -12.818   9.220
  116    H    LEU  15           H        LEU  15  -2.526  -7.598   6.790
  117    HA   LEU  15           HA       LEU  15  -0.854  -5.954   8.332
  118   1HB   LEU  15          2HB       LEU  15  -0.752  -7.102   5.592
  119   2HB   LEU  15          1HB       LEU  15   0.342  -5.780   5.945
  120    HG   LEU  15           HG       LEU  15   1.404  -7.026   7.703
  121   1HD1  LEU  15          1HD1      LEU  15  -0.424  -9.348   7.158
  122   2HD1  LEU  15          2HD1      LEU  15  -0.753  -8.165   8.423
  123   3HD1  LEU  15          3HD1      LEU  15   0.717  -9.136   8.485
  124   1HD2  LEU  15          1HD2      LEU  15   1.000  -8.645   5.194
  125   2HD2  LEU  15          2HD2      LEU  15   2.232  -8.988   6.407
  126   3HD2  LEU  15          3HD2      LEU  15   2.271  -7.466   5.518
  127    H    MET  16           H        MET  16  -2.863  -5.238   5.501
  128    HA   MET  16           HA       MET  16  -2.022  -2.598   5.064
  129   1HB   MET  16          2HB       MET  16  -4.368  -4.239   4.317
  130   2HB   MET  16          1HB       MET  16  -4.617  -2.498   4.286
  131   1HG   MET  16          2HG       MET  16  -2.347  -3.866   2.871
  132   2HG   MET  16          1HG       MET  16  -3.909  -3.541   2.121
  133   1HE   MET  16          1HE       MET  16  -0.697  -1.471   1.111
  134   2HE   MET  16          2HE       MET  16  -0.721  -2.890   2.155
  135   3HE   MET  16          3HE       MET  16  -0.319  -1.309   2.825
  136    H    ARG  17           H        ARG  17  -4.554  -3.918   7.169
  137    HA   ARG  17           HA       ARG  17  -5.677  -1.491   8.006
  138   1HB   ARG  17          2HB       ARG  17  -5.492  -4.209   9.287
  139   2HB   ARG  17          1HB       ARG  17  -6.255  -2.862  10.121
  140   1HG   ARG  17          2HG       ARG  17  -7.879  -2.632   8.347
  141   2HG   ARG  17          1HG       ARG  17  -7.078  -3.900   7.418
  142   1HD   ARG  17          2HD       ARG  17  -7.557  -5.043   9.910
  143   2HD   ARG  17          1HD       ARG  17  -9.014  -4.116   9.558
  144    HE   ARG  17           HE       ARG  17  -8.556  -5.470   7.254
  145   1HH1  ARG  17          1HH1      ARG  17  -8.862  -6.454  10.600
  146   2HH1  ARG  17          2HH1      ARG  17  -9.494  -8.017  10.209
  147   1HH2  ARG  17          1HH2      ARG  17  -9.395  -7.530   6.747
  148   2HH2  ARG  17          2HH2      ARG  17  -9.797  -8.628   8.023
  149    H    GLN  18           H        GLN  18  -2.925  -3.333   9.264
  150    HA   GLN  18           HA       GLN  18  -2.436  -1.782  11.552
  151   1HB   GLN  18          2HB       GLN  18  -0.464  -3.309   9.841
  152   2HB   GLN  18          1HB       GLN  18  -0.150  -2.713  11.465
  153   1HG   GLN  18          2HG       GLN  18  -2.256  -4.136  12.076
  154   2HG   GLN  18          1HG       GLN  18  -1.873  -4.973  10.572
  155   1HE2  GLN  18          1HE2      GLN  18   0.632  -5.389  10.417
  156   2HE2  GLN  18          2HE2      GLN  18   1.305  -6.152  11.814
  157    H    LEU  19           H        LEU  19  -1.296  -1.446   8.213
  158    HA   LEU  19           HA       LEU  19   0.520   0.650   8.623
  159   1HB   LEU  19          2HB       LEU  19  -1.096  -0.244   6.259
  160   2HB   LEU  19          1HB       LEU  19  -0.125   1.212   6.169
  161    HG   LEU  19           HG       LEU  19   1.427  -1.004   7.206
  162   1HD1  LEU  19          1HD1      LEU  19  -0.263  -1.480   4.830
  163   2HD1  LEU  19          2HD1      LEU  19   0.438  -2.622   5.978
  164   3HD1  LEU  19          3HD1      LEU  19   1.435  -1.937   4.695
  165   1HD2  LEU  19          1HD2      LEU  19   2.924  -0.327   5.378
  166   2HD2  LEU  19          2HD2      LEU  19   2.390   1.050   6.343
  167   3HD2  LEU  19          3HD2      LEU  19   1.669   0.749   4.762
  168    H    GLN  20           H        GLN  20  -2.967   0.685   7.997
  169    HA   GLN  20           HA       GLN  20  -3.216   3.494   7.751
  170   1HB   GLN  20          2HB       GLN  20  -5.155   1.265   8.297
  171   2HB   GLN  20          1HB       GLN  20  -5.680   2.942   8.370
  172   1HG   GLN  20          2HG       GLN  20  -5.470   3.257   6.121
  173   2HG   GLN  20          1HG       GLN  20  -4.200   2.048   5.956
  174   1HE2  GLN  20          1HE2      GLN  20  -6.672   2.449   4.425
  175   2HE2  GLN  20          2HE2      GLN  20  -7.533   0.956   4.522
  176    H    ARG  21           H        ARG  21  -3.370   1.304  10.514
  177    HA   ARG  21           HA       ARG  21  -4.353   3.194  12.384
  178   1HB   ARG  21          2HB       ARG  21  -4.240   0.607  12.534
  179   2HB   ARG  21          1HB       ARG  21  -2.619   0.872  13.155
  180   1HG   ARG  21          2HG       ARG  21  -4.019   2.572  14.717
  181   2HG   ARG  21          1HG       ARG  21  -5.233   1.327  14.422
  182   1HD   ARG  21          2HD       ARG  21  -4.269   0.240  16.125
  183   2HD   ARG  21          1HD       ARG  21  -3.004  -0.162  14.965
  184    HE   ARG  21           HE       ARG  21  -2.591   2.356  16.288
  185   1HH1  ARG  21          1HH1      ARG  21  -2.099  -1.105  16.520
  186   2HH1  ARG  21          2HH1      ARG  21  -0.759  -0.964  17.604
  187   1HH2  ARG  21          1HH2      ARG  21  -0.823   2.532  17.717
  188   2HH2  ARG  21          2HH2      ARG  21  -0.035   1.099  18.286
  189    H    LYS  22           H        LYS  22  -1.247   2.847  10.963
  190    HA   LYS  22           HA       LYS  22   0.508   3.585  12.958
  191   1HB   LYS  22          2HB       LYS  22   0.438   3.928  10.014
  192   2HB   LYS  22          1HB       LYS  22   1.566   4.951  10.887
  193   1HG   LYS  22          2HG       LYS  22   1.671   2.173  11.737
  194   2HG   LYS  22          1HG       LYS  22   2.034   2.390  10.025
  195   1HD   LYS  22          2HD       LYS  22   4.121   2.669  10.946
  196   2HD   LYS  22          1HD       LYS  22   3.552   4.338  10.909
  197   1HE   LYS  22          2HE       LYS  22   3.116   4.362  13.206
  198   2HE   LYS  22          1HE       LYS  22   3.117   2.604  13.317
  199   1HZ   LYS  22          1HZ       LYS  22   5.125   3.471  14.269
  200   2HZ   LYS  22          2HZ       LYS  22   5.480   4.345  12.866
  201   3HZ   LYS  22          3HZ       LYS  22   5.518   2.655  12.838
  202    H    ASP  23           H        ASP  23  -0.610   5.979  10.571
  203    HA   ASP  23           HA       ASP  23  -1.870   7.834  12.040
  204   1HB   ASP  23          2HB       ASP  23   0.827   7.700  12.990
  205   2HB   ASP  23          1HB       ASP  23   0.563   9.267  12.238
  206    HA   PRO  24           HA       PRO  24   0.505  10.168   8.468
  207   1HB   PRO  24          2HB       PRO  24   2.003   7.934   7.258
  208   2HB   PRO  24          1HB       PRO  24   2.538   9.573   7.634
  209   1HG   PRO  24          2HG       PRO  24   3.366   7.466   9.071
  210   2HG   PRO  24          1HG       PRO  24   3.067   9.044   9.818
  211   1HD   PRO  24          2HD       PRO  24   1.362   6.592   9.844
  212   2HD   PRO  24          1HD       PRO  24   1.694   7.757  11.139
  213    H    SER  25           H        SER  25  -0.453   6.787   8.112
  214    HA   SER  25           HA       SER  25  -1.254   6.813   5.438
  215   1HB   SER  25          2HB       SER  25  -2.270   5.200   7.781
  216   2HB   SER  25          1HB       SER  25  -2.791   4.924   6.118
  217    HG   SER  25           HG       SER  25  -0.450   4.246   7.356
  218    H    ALA  26           H        ALA  26  -2.743   8.249   8.212
  219    HA   ALA  26           HA       ALA  26  -5.416   8.323   7.596
  220   1HB   ALA  26          1HB       ALA  26  -5.345  10.653   8.676
  221   2HB   ALA  26          2HB       ALA  26  -3.622  10.340   8.894
  222   3HB   ALA  26          3HB       ALA  26  -4.816   9.271   9.634
  223    H    PHE  27           H        PHE  27  -2.818  10.078   6.011
  224    HA   PHE  27           HA       PHE  27  -4.618  11.831   4.582
  225   1HB   PHE  27          2HB       PHE  27  -1.653  11.398   4.596
  226   2HB   PHE  27          1HB       PHE  27  -2.396  12.294   3.277
  227    HD1  PHE  27           1HD      PHE  27  -4.490  13.805   4.639
  228    HD2  PHE  27           2HD      PHE  27  -0.500  12.954   5.853
  229    HE1  PHE  27           1HE      PHE  27  -4.476  15.845   6.014
  230    HE2  PHE  27           2HE      PHE  27  -0.481  14.992   7.232
  231    HZ   PHE  27           HZ       PHE  27  -2.471  16.442   7.313
  232    H    PHE  28           H        PHE  28  -2.601   9.005   3.780
  233    HA   PHE  28           HA       PHE  28  -3.770   8.923   1.099
  234   1HB   PHE  28          2HB       PHE  28  -1.667   7.063   2.206
  235   2HB   PHE  28          1HB       PHE  28  -2.040   7.393   0.520
  236    HD1  PHE  28           1HD      PHE  28  -1.778   9.949  -0.155
  237    HD2  PHE  28           2HD      PHE  28   0.189   8.060   3.113
  238    HE1  PHE  28           1HE      PHE  28  -0.041  11.691  -0.196
  239    HE2  PHE  28           2HE      PHE  28   1.929   9.798   3.078
  240    HZ   PHE  28           HZ       PHE  28   1.815  11.618   1.421
  241    H    SER  29           H        SER  29  -5.199   8.176   3.668
  242    HA   SER  29           HA       SER  29  -5.619   5.331   3.468
  243   1HB   SER  29          2HB       SER  29  -5.728   6.283   5.668
  244   2HB   SER  29          1HB       SER  29  -6.899   7.493   5.151
  245    HG   SER  29           HG       SER  29  -7.285   4.873   5.894
  246    H    PHE  30           H        PHE  30  -7.077   8.205   2.188
  247    HA   PHE  30           HA       PHE  30  -9.231   6.571   1.037
  248   1HB   PHE  30          2HB       PHE  30 -10.276   9.061   0.908
  249   2HB   PHE  30          1HB       PHE  30 -10.582   7.947   2.229
  250    HD1  PHE  30           1HD      PHE  30  -9.396   8.223   4.375
  251    HD2  PHE  30           2HD      PHE  30  -9.015  11.049   1.214
  252    HE1  PHE  30           1HE      PHE  30  -8.495   9.871   5.961
  253    HE2  PHE  30           2HE      PHE  30  -8.110  12.701   2.796
  254    HZ   PHE  30           HZ       PHE  30  -7.850  12.114   5.173
  255    HA   PRO  31           HA       PRO  31  -7.822   7.492  -3.030
  256   1HB   PRO  31          2HB       PRO  31 -10.643   8.247  -3.626
  257   2HB   PRO  31          1HB       PRO  31  -9.579   7.109  -4.459
  258   1HG   PRO  31          2HG       PRO  31 -11.529   6.239  -2.861
  259   2HG   PRO  31          1HG       PRO  31  -9.961   5.420  -2.927
  260   1HD   PRO  31          2HD       PRO  31 -11.072   7.212  -0.823
  261   2HD   PRO  31          1HD       PRO  31  -9.990   5.814  -0.667
  262    H    VAL  32           H        VAL  32  -6.676   9.270  -3.429
  263    HA   VAL  32           HA       VAL  32  -7.232  11.832  -2.514
  264    HB   VAL  32           HB       VAL  32  -5.647  12.573  -4.427
  265   1HG1  VAL  32          1HG1      VAL  32  -3.701  11.503  -3.134
  266   2HG1  VAL  32          2HG1      VAL  32  -4.955  10.826  -2.095
  267   3HG1  VAL  32          3HG1      VAL  32  -4.799  12.575  -2.262
  268   1HG2  VAL  32          1HG2      VAL  32  -6.138  10.015  -5.289
  269   2HG2  VAL  32          2HG2      VAL  32  -4.552   9.886  -4.532
  270   3HG2  VAL  32          3HG2      VAL  32  -4.819  11.052  -5.827
  271    H    THR  33           H        THR  33  -7.760  13.787  -3.672
  272    HA   THR  33           HA       THR  33  -9.400  13.385  -6.075
  273    HB   THR  33           HB       THR  33 -11.131  14.860  -5.179
  274    HG1  THR  33           1HG      THR  33 -10.914  15.892  -3.345
  275   1HG2  THR  33          1HG2      THR  33 -10.913  13.058  -2.877
  276   2HG2  THR  33          2HG2      THR  33 -10.854  12.277  -4.458
  277   3HG2  THR  33          3HG2      THR  33 -12.232  13.290  -4.025
  278    H    ASP  34           H        ASP  34 -10.228  15.847  -6.639
  279    HA   ASP  34           HA       ASP  34  -7.873  17.168  -7.531
  280   1HB   ASP  34          2HB       ASP  34 -10.455  17.101  -8.392
  281   2HB   ASP  34          1HB       ASP  34 -10.405  18.681  -7.622
  282    H    PHE  35           H        PHE  35  -9.382  17.224  -4.543
  283    HA   PHE  35           HA       PHE  35  -8.358  19.922  -3.959
  284   1HB   PHE  35          2HB       PHE  35 -10.730  19.929  -3.644
  285   2HB   PHE  35          1HB       PHE  35 -10.685  18.397  -2.783
  286    HD1  PHE  35           2HD      PHE  35  -9.629  18.319  -0.505
  287    HD2  PHE  35           1HD      PHE  35 -10.503  21.966  -2.512
  288    HE1  PHE  35           2HE      PHE  35  -9.500  19.524   1.639
  289    HE2  PHE  35           1HE      PHE  35 -10.377  23.180  -0.376
  290    HZ   PHE  35           HZ       PHE  35  -9.876  21.959   1.705
  291    H    ILE  36           H        ILE  36  -8.770  16.618  -2.750
  292    HA   ILE  36           HA       ILE  36  -7.221  16.937  -0.404
  293    HB   ILE  36           HB       ILE  36  -8.209  14.586  -1.976
  294   1HG1  ILE  36          2HG1      ILE  36  -8.563  14.965   0.962
  295   2HG1  ILE  36          1HG1      ILE  36  -9.428  16.047  -0.124
  296   1HG2  ILE  36          1HG2      ILE  36  -6.210  14.474   0.263
  297   2HG2  ILE  36          2HG2      ILE  36  -6.064  13.803  -1.360
  298   3HG2  ILE  36          3HG2      ILE  36  -7.211  13.104  -0.218
  299   1HD1  ILE  36          1HD1      ILE  36 -10.653  14.292  -1.073
  300   2HD1  ILE  36          2HD1      ILE  36 -10.647  13.972   0.662
  301   3HD1  ILE  36          3HD1      ILE  36  -9.572  13.068  -0.405
  302    H    ALA  37           H        ALA  37  -6.466  15.935  -3.708
  303    HA   ALA  37           HA       ALA  37  -3.623  15.697  -3.007
  304   1HB   ALA  37          1HB       ALA  37  -5.329  14.562  -5.156
  305   2HB   ALA  37          2HB       ALA  37  -4.046  13.809  -4.210
  306   3HB   ALA  37          3HB       ALA  37  -3.641  14.892  -5.540
  307    HA   PRO  38           HA       PRO  38  -2.738  19.505  -5.043
  308   1HB   PRO  38          2HB       PRO  38  -0.066  18.740  -5.713
  309   2HB   PRO  38          1HB       PRO  38  -0.599  19.742  -4.366
  310   1HG   PRO  38          2HG       PRO  38   0.486  17.212  -4.130
  311   2HG   PRO  38          1HG       PRO  38  -0.506  18.009  -2.902
  312   1HD   PRO  38          2HD       PRO  38  -1.254  15.908  -4.875
  313   2HD   PRO  38          1HD       PRO  38  -1.830  16.160  -3.217
  314    H    GLY  39           H        GLY  39  -3.084  16.795  -6.703
  315   1HA   GLY  39          2HA       GLY  39  -3.897  17.371  -9.060
  316   2HA   GLY  39          1HA       GLY  39  -2.250  17.942  -9.283
  317    H    TYR  40           H        TYR  40  -3.223  15.058  -7.485
  318    HA   TYR  40           HA       TYR  40  -1.310  13.383  -8.618
  319   1HB   TYR  40          2HB       TYR  40  -3.881  12.883  -7.160
  320   2HB   TYR  40          1HB       TYR  40  -3.053  11.527  -7.918
  321    HD1  TYR  40           1HD      TYR  40  -1.731  14.499  -6.084
  322    HD2  TYR  40           2HD      TYR  40  -2.086  10.251  -6.211
  323    HE1  TYR  40           1HE      TYR  40  -0.283  14.320  -4.108
  324    HE2  TYR  40           2HE      TYR  40  -0.640  10.073  -4.238
  325    HH   TYR  40           HH       TYR  40  -0.044  11.639  -2.242
  326    H    SER  41           H        SER  41  -4.722  13.820  -9.564
  327    HA   SER  41           HA       SER  41  -4.713  11.880 -11.604
  328   1HB   SER  41          2HB       SER  41  -6.734  13.066 -10.572
  329   2HB   SER  41          1HB       SER  41  -6.388  14.389 -11.683
  330    HG   SER  41           HG       SER  41  -6.704  12.975 -13.405
  331    H    MET  42           H        MET  42  -3.429  15.105 -11.538
  332    HA   MET  42           HA       MET  42  -3.288  15.345 -14.410
  333   1HB   MET  42          2HB       MET  42  -3.440  17.185 -12.468
  334   2HB   MET  42          1HB       MET  42  -1.694  17.140 -12.672
  335   1HG   MET  42          2HG       MET  42  -3.465  17.424 -15.054
  336   2HG   MET  42          1HG       MET  42  -3.118  18.820 -14.035
  337   1HE   MET  42          1HE       MET  42  -0.763  17.573 -17.498
  338   2HE   MET  42          2HE       MET  42  -2.491  17.643 -17.152
  339   3HE   MET  42          3HE       MET  42  -1.550  16.234 -16.662
  340    H    ILE  43           H        ILE  43  -1.072  14.472 -11.790
  341    HA   ILE  43           HA       ILE  43   1.039  14.081 -13.815
  342    HB   ILE  43           HB       ILE  43   1.515  15.770 -12.050
  343   1HG1  ILE  43          2HG1      ILE  43   3.684  14.202 -11.307
  344   2HG1  ILE  43          1HG1      ILE  43   3.163  13.497 -12.832
  345   1HG2  ILE  43          1HG2      ILE  43   1.886  15.182  -9.806
  346   2HG2  ILE  43          2HG2      ILE  43   1.761  13.460 -10.151
  347   3HG2  ILE  43          3HG2      ILE  43   0.329  14.485 -10.240
  348   1HD1  ILE  43          1HD1      ILE  43   4.146  16.263 -12.279
  349   2HD1  ILE  43          2HD1      ILE  43   3.187  15.905 -13.715
  350   3HD1  ILE  43          3HD1      ILE  43   4.728  15.085 -13.456
  351    H    ILE  44           H        ILE  44  -0.311  12.671 -10.843
  352    HA   ILE  44           HA       ILE  44   1.056  10.150 -11.413
  353    HB   ILE  44           HB       ILE  44  -0.166  11.367  -8.970
  354   1HG1  ILE  44          2HG1      ILE  44   2.196  11.626  -9.266
  355   2HG1  ILE  44          1HG1      ILE  44   1.941  10.470  -7.965
  356   1HG2  ILE  44          1HG2      ILE  44  -0.025   8.431  -9.525
  357   2HG2  ILE  44          2HG2      ILE  44  -1.324   9.370  -8.789
  358   3HG2  ILE  44          3HG2      ILE  44   0.151   9.051  -7.884
  359   1HD1  ILE  44          1HD1      ILE  44   3.161  10.108 -10.617
  360   2HD1  ILE  44          2HD1      ILE  44   2.158   8.780 -10.032
  361   3HD1  ILE  44          3HD1      ILE  44   3.532   9.335  -9.076
  362    H    LYS  45           H        LYS  45  -0.140   9.377 -13.114
  363    HA   LYS  45           HA       LYS  45  -2.816   9.392 -13.578
  364   1HB   LYS  45          2HB       LYS  45  -0.602   8.093 -14.662
  365   2HB   LYS  45          1HB       LYS  45  -1.740   6.804 -14.298
  366   1HG   LYS  45          2HG       LYS  45  -2.918   9.147 -15.614
  367   2HG   LYS  45          1HG       LYS  45  -1.734   8.264 -16.581
  368   1HD   LYS  45          2HD       LYS  45  -3.677   6.568 -15.172
  369   2HD   LYS  45          1HD       LYS  45  -4.378   7.631 -16.393
  370   1HE   LYS  45          2HE       LYS  45  -2.345   6.717 -17.826
  371   2HE   LYS  45          1HE       LYS  45  -2.471   5.365 -16.702
  372   1HZ   LYS  45          1HZ       LYS  45  -4.941   5.398 -17.320
  373   2HZ   LYS  45          2HZ       LYS  45  -3.853   4.774 -18.455
  374   3HZ   LYS  45          3HZ       LYS  45  -4.471   6.337 -18.649
  375    H    HIS  46           H        HIS  46  -1.310   6.412 -12.258
  376    HA   HIS  46           HA       HIS  46  -3.870   5.916 -10.890
  377   1HB   HIS  46          2HB       HIS  46  -2.556   4.331 -12.744
  378   2HB   HIS  46          1HB       HIS  46  -2.160   3.578 -11.204
  379    HD1  HIS  46           1HD      HIS  46  -4.097   2.405 -13.459
  380    HD2  HIS  46           2HD      HIS  46  -5.246   4.242  -9.913
  381    HE1  HIS  46           1HE      HIS  46  -6.417   1.557 -12.983
  382    HE2  HIS  46           2HE      HIS  46  -7.120   2.743 -10.874
  383    HA   PRO  47           HA       PRO  47  -0.977   6.291  -7.376
  384   1HB   PRO  47          2HB       PRO  47  -2.678   7.565  -5.721
  385   2HB   PRO  47          1HB       PRO  47  -1.769   8.417  -6.972
  386   1HG   PRO  47          2HG       PRO  47  -4.630   7.600  -6.929
  387   2HG   PRO  47          1HG       PRO  47  -3.880   9.040  -7.637
  388   1HD   PRO  47          2HD       PRO  47  -4.656   6.766  -9.042
  389   2HD   PRO  47          1HD       PRO  47  -3.521   7.999  -9.620
  390    H    MET  48           H        MET  48  -4.422   5.511  -7.136
  391    HA   MET  48           HA       MET  48  -5.593   3.976  -5.948
  392   1HB   MET  48          2HB       MET  48  -3.025   2.420  -6.297
  393   2HB   MET  48          1HB       MET  48  -4.553   1.723  -5.777
  394   1HG   MET  48          2HG       MET  48  -5.009   3.187  -8.168
  395   2HG   MET  48          1HG       MET  48  -3.605   2.153  -8.413
  396   1HE   MET  48          1HE       MET  48  -6.441   0.648  -5.855
  397   2HE   MET  48          2HE       MET  48  -7.735   0.720  -7.047
  398   3HE   MET  48          3HE       MET  48  -6.897   2.195  -6.567
  399    H    ASP  49           H        ASP  49  -5.778   5.193  -4.047
  400    HA   ASP  49           HA       ASP  49  -3.855   5.244  -1.978
  401   1HB   ASP  49          2HB       ASP  49  -6.752   5.955  -2.186
  402   2HB   ASP  49          1HB       ASP  49  -6.003   5.868  -0.594
  403    H    PHE  50           H        PHE  50  -4.408   4.451   0.292
  404    HA   PHE  50           HA       PHE  50  -4.303   1.680   0.350
  405   1HB   PHE  50          2HB       PHE  50  -5.161   3.513   2.599
  406   2HB   PHE  50          1HB       PHE  50  -4.613   1.849   2.778
  407    HD1  PHE  50           1HD      PHE  50  -2.345   1.889   0.810
  408    HD2  PHE  50           2HD      PHE  50  -3.519   4.673   3.810
  409    HE1  PHE  50           1HE      PHE  50  -0.029   2.692   0.966
  410    HE2  PHE  50           2HE      PHE  50  -1.200   5.476   3.971
  411    HZ   PHE  50           HZ       PHE  50   0.548   4.487   2.547
  412    H    SER  51           H        SER  51  -7.157   3.775   0.603
  413    HA   SER  51           HA       SER  51  -8.920   1.649   1.375
  414   1HB   SER  51          2HB       SER  51  -9.181   4.508   0.770
  415   2HB   SER  51          1HB       SER  51 -10.557   3.549   0.228
  416    HG   SER  51           HG       SER  51 -11.138   3.754   2.245
  417    H    THR  52           H        THR  52  -8.100   3.207  -1.693
  418    HA   THR  52           HA       THR  52  -9.994   1.871  -3.291
  419    HB   THR  52           HB       THR  52  -7.358   2.612  -4.467
  420    HG1  THR  52           1HG      THR  52  -7.475   4.375  -3.264
  421   1HG2  THR  52          1HG2      THR  52 -10.208   3.152  -5.257
  422   2HG2  THR  52          2HG2      THR  52  -9.099   1.994  -5.990
  423   3HG2  THR  52          3HG2      THR  52  -8.790   3.724  -6.137
  424    H    MET  53           H        MET  53  -6.578   1.115  -2.603
  425    HA   MET  53           HA       MET  53  -6.485  -1.215  -4.198
  426   1HB   MET  53          2HB       MET  53  -4.416  -1.747  -3.029
  427   2HB   MET  53          1HB       MET  53  -4.457  -0.041  -3.447
  428   1HG   MET  53          2HG       MET  53  -5.089   0.502  -1.147
  429   2HG   MET  53          1HG       MET  53  -5.028  -1.209  -0.732
  430   1HE   MET  53          1HE       MET  53  -3.115  -2.649  -0.808
  431   2HE   MET  53          2HE       MET  53  -1.436  -2.159  -0.586
  432   3HE   MET  53          3HE       MET  53  -2.128  -2.227  -2.207
  433    H    LYS  54           H        LYS  54  -7.181  -0.712  -0.749
  434    HA   LYS  54           HA       LYS  54  -7.374  -3.404   0.002
  435   1HB   LYS  54          2HB       LYS  54  -7.358  -1.321   1.492
  436   2HB   LYS  54          1HB       LYS  54  -9.085  -1.222   1.178
  437   1HG   LYS  54          2HG       LYS  54  -9.078  -3.707   1.982
  438   2HG   LYS  54          1HG       LYS  54  -7.551  -3.247   2.736
  439   1HD   LYS  54          2HD       LYS  54  -9.938  -1.496   3.116
  440   2HD   LYS  54          1HD       LYS  54  -9.826  -3.000   4.032
  441   1HE   LYS  54          2HE       LYS  54  -7.457  -1.202   3.962
  442   2HE   LYS  54          1HE       LYS  54  -8.833  -0.732   4.957
  443   1HZ   LYS  54          1HZ       LYS  54  -6.991  -2.141   6.006
  444   2HZ   LYS  54          2HZ       LYS  54  -7.675  -3.440   5.166
  445   3HZ   LYS  54          3HZ       LYS  54  -8.597  -2.586   6.301
  446    H    GLU  55           H        GLU  55  -9.786  -1.216  -1.394
  447    HA   GLU  55           HA       GLU  55 -12.002  -2.960  -1.134
  448   1HB   GLU  55          2HB       GLU  55 -11.404  -0.448  -2.551
  449   2HB   GLU  55          1HB       GLU  55 -12.624  -1.449  -3.325
  450   1HG   GLU  55          2HG       GLU  55 -13.867  -1.509  -1.186
  451   2HG   GLU  55          1HG       GLU  55 -12.678  -0.401  -0.505
  452    H    LYS  56           H        LYS  56  -9.590  -2.483  -3.663
  453    HA   LYS  56           HA       LYS  56 -10.771  -4.180  -5.591
  454   1HB   LYS  56          2HB       LYS  56  -8.302  -2.685  -5.285
  455   2HB   LYS  56          1HB       LYS  56  -8.011  -4.252  -6.026
  456   1HG   LYS  56          2HG       LYS  56  -8.429  -3.038  -7.892
  457   2HG   LYS  56          1HG       LYS  56 -10.079  -3.531  -7.509
  458   1HD   LYS  56          2HD       LYS  56 -10.444  -1.403  -6.354
  459   2HD   LYS  56          1HD       LYS  56  -8.792  -0.915  -6.732
  460   1HE   LYS  56          2HE       LYS  56  -9.367  -1.180  -9.157
  461   2HE   LYS  56          1HE       LYS  56 -11.043  -1.424  -8.668
  462   1HZ   LYS  56          1HZ       LYS  56 -11.308   0.748  -8.166
  463   2HZ   LYS  56          2HZ       LYS  56 -10.061   0.947  -9.291
  464   3HZ   LYS  56          3HZ       LYS  56  -9.714   0.956  -7.636
  465    H    ILE  57           H        ILE  57  -8.325  -4.760  -3.065
  466    HA   ILE  57           HA       ILE  57  -7.701  -7.405  -3.756
  467    HB   ILE  57           HB       ILE  57  -7.772  -6.313  -0.941
  468   1HG1  ILE  57          2HG1      ILE  57  -5.230  -6.391  -2.469
  469   2HG1  ILE  57          1HG1      ILE  57  -6.375  -5.137  -2.927
  470   1HG2  ILE  57          1HG2      ILE  57  -6.868  -8.237  -0.299
  471   2HG2  ILE  57          2HG2      ILE  57  -5.646  -8.156  -1.567
  472   3HG2  ILE  57          3HG2      ILE  57  -7.222  -8.868  -1.906
  473   1HD1  ILE  57          1HD1      ILE  57  -6.204  -5.150  -0.105
  474   2HD1  ILE  57          2HD1      ILE  57  -5.676  -3.904  -1.236
  475   3HD1  ILE  57          3HD1      ILE  57  -4.564  -5.183  -0.750
  476    H    LYS  58           H        LYS  58 -10.267  -6.096  -1.695
  477    HA   LYS  58           HA       LYS  58 -11.246  -8.526  -0.695
  478   1HB   LYS  58          2HB       LYS  58 -12.644  -5.900  -1.210
  479   2HB   LYS  58          1HB       LYS  58 -13.391  -7.250  -0.367
  480   1HG   LYS  58          2HG       LYS  58 -11.077  -6.985   1.024
  481   2HG   LYS  58          1HG       LYS  58 -11.398  -5.313   0.562
  482   1HD   LYS  58          2HD       LYS  58 -13.868  -6.158   1.372
  483   2HD   LYS  58          1HD       LYS  58 -12.803  -7.050   2.459
  484   1HE   LYS  58          2HE       LYS  58 -13.403  -4.952   3.480
  485   2HE   LYS  58          1HE       LYS  58 -11.692  -4.926   3.060
  486   1HZ   LYS  58          1HZ       LYS  58 -13.794  -3.219   2.168
  487   2HZ   LYS  58          2HZ       LYS  58 -12.969  -3.900   0.859
  488   3HZ   LYS  58          3HZ       LYS  58 -12.121  -3.020   2.029
  489    H    ASN  59           H        ASN  59 -11.663  -6.984  -3.803
  490    HA   ASN  59           HA       ASN  59 -13.792  -8.838  -4.560
  491   1HB   ASN  59          2HB       ASN  59 -12.688  -6.304  -5.690
  492   2HB   ASN  59          1HB       ASN  59 -13.475  -7.432  -6.786
  493   1HD2  ASN  59          1HD2      ASN  59 -13.931  -5.539  -3.852
  494   2HD2  ASN  59          2HD2      ASN  59 -15.649  -5.408  -3.990
  495    H    ASN  60           H        ASN  60 -10.855  -9.559  -4.146
  496    HA   ASN  60           HA       ASN  60  -9.339 -10.981  -5.031
  497   1HB   ASN  60          2HB       ASN  60 -11.833 -11.813  -6.087
  498   2HB   ASN  60          1HB       ASN  60 -10.663 -11.909  -7.398
  499   1HD2  ASN  60          1HD2      ASN  60 -10.754 -12.596  -3.913
  500   2HD2  ASN  60          2HD2      ASN  60  -9.998 -14.145  -4.027
  501    H    ASP  61           H        ASP  61  -9.702  -8.151  -6.078
  502    HA   ASP  61           HA       ASP  61  -8.756  -8.206  -8.781
  503   1HB   ASP  61          2HB       ASP  61  -9.991  -6.281  -7.643
  504   2HB   ASP  61          1HB       ASP  61  -8.469  -5.915  -6.835
  505    H    TYR  62           H        TYR  62  -7.336  -8.132  -5.592
  506    HA   TYR  62           HA       TYR  62  -4.664  -8.407  -6.791
  507   1HB   TYR  62          2HB       TYR  62  -5.407  -6.913  -4.265
  508   2HB   TYR  62          1HB       TYR  62  -3.756  -7.250  -4.774
  509    HD1  TYR  62           2HD      TYR  62  -3.256  -6.459  -7.296
  510    HD2  TYR  62           1HD      TYR  62  -6.255  -4.831  -4.755
  511    HE1  TYR  62           2HE      TYR  62  -3.247  -4.387  -8.619
  512    HE2  TYR  62           1HE      TYR  62  -6.254  -2.756  -6.069
  513    HH   TYR  62           HH       TYR  62  -5.506  -2.281  -8.752
  514    H    GLN  63           H        GLN  63  -4.002 -10.420  -6.468
  515    HA   GLN  63           HA       GLN  63  -4.287 -11.623  -3.820
  516   1HB   GLN  63          2HB       GLN  63  -6.154 -12.469  -5.232
  517   2HB   GLN  63          1HB       GLN  63  -4.976 -13.065  -6.393
  518   1HG   GLN  63          2HG       GLN  63  -4.404 -14.048  -3.745
  519   2HG   GLN  63          1HG       GLN  63  -6.055 -14.430  -4.224
  520   1HE2  GLN  63          1HE2      GLN  63  -5.966 -14.973  -6.803
  521   2HE2  GLN  63          2HE2      GLN  63  -4.888 -16.278  -7.150
  522    H    SER  64           H        SER  64  -2.202 -10.432  -5.702
  523    HA   SER  64           HA       SER  64  -0.260 -12.615  -5.467
  524   1HB   SER  64          2HB       SER  64   0.139 -10.578  -7.606
  525   2HB   SER  64          1HB       SER  64   0.555 -12.291  -7.592
  526    HG   SER  64           HG       SER  64  -1.873 -11.047  -8.238
  527    H    ILE  65           H        ILE  65   1.517 -12.080  -4.385
  528    HA   ILE  65           HA       ILE  65   1.740  -9.792  -2.864
  529    HB   ILE  65           HB       ILE  65   4.152 -10.397  -2.592
  530   1HG1  ILE  65          2HG1      ILE  65   4.365 -12.936  -3.582
  531   2HG1  ILE  65          1HG1      ILE  65   3.488 -12.130  -4.877
  532   1HG2  ILE  65          1HG2      ILE  65   3.452 -12.842  -1.774
  533   2HG2  ILE  65          2HG2      ILE  65   1.851 -12.151  -2.036
  534   3HG2  ILE  65          3HG2      ILE  65   2.980 -11.367  -0.931
  535   1HD1  ILE  65          1HD1      ILE  65   6.162 -12.195  -4.691
  536   2HD1  ILE  65          2HD1      ILE  65   5.832 -10.689  -3.837
  537   3HD1  ILE  65          3HD1      ILE  65   5.268 -10.905  -5.493
  538    H    GLU  66           H        GLU  66   3.037 -10.463  -6.082
  539    HA   GLU  66           HA       GLU  66   4.595  -8.088  -6.271
  540   1HB   GLU  66          2HB       GLU  66   4.733 -10.257  -7.684
  541   2HB   GLU  66          1HB       GLU  66   3.444  -9.538  -8.640
  542   1HG   GLU  66          2HG       GLU  66   4.821  -7.682  -9.233
  543   2HG   GLU  66          1HG       GLU  66   6.078  -8.190  -8.108
  544    H    GLU  67           H        GLU  67   1.293  -8.955  -7.219
  545    HA   GLU  67           HA       GLU  67   0.721  -6.536  -8.587
  546   1HB   GLU  67          2HB       GLU  67  -1.001  -8.704  -7.400
  547   2HB   GLU  67          1HB       GLU  67  -1.696  -7.287  -8.178
  548   1HG   GLU  67          2HG       GLU  67   0.342  -8.879  -9.649
  549   2HG   GLU  67          1HG       GLU  67  -1.301  -9.503  -9.509
  550    H    LEU  68           H        LEU  68  -0.029  -7.648  -5.280
  551    HA   LEU  68           HA       LEU  68  -1.358  -5.246  -4.533
  552   1HB   LEU  68          2HB       LEU  68  -1.213  -6.104  -2.233
  553   2HB   LEU  68          1HB       LEU  68  -1.849  -7.284  -3.360
  554    HG   LEU  68           HG       LEU  68   0.722  -8.033  -3.404
  555   1HD1  LEU  68          1HD1      LEU  68   1.961  -7.492  -1.617
  556   2HD1  LEU  68          2HD1      LEU  68   0.585  -7.536  -0.514
  557   3HD1  LEU  68          3HD1      LEU  68   0.879  -6.105  -1.503
  558   1HD2  LEU  68          1HD2      LEU  68  -0.108  -9.427  -1.236
  559   2HD2  LEU  68          2HD2      LEU  68  -0.599  -9.778  -2.891
  560   3HD2  LEU  68          3HD2      LEU  68  -1.644  -8.815  -1.849
  561    H    LYS  69           H        LYS  69   1.953  -6.438  -4.021
  562    HA   LYS  69           HA       LYS  69   2.842  -4.297  -2.418
  563   1HB   LYS  69          2HB       LYS  69   4.035  -6.466  -2.696
  564   2HB   LYS  69          1HB       LYS  69   4.477  -5.978  -4.326
  565   1HG   LYS  69          2HG       LYS  69   6.012  -4.437  -3.598
  566   2HG   LYS  69          1HG       LYS  69   5.209  -4.210  -2.043
  567   1HD   LYS  69          2HD       LYS  69   6.936  -5.481  -1.305
  568   2HD   LYS  69          1HD       LYS  69   5.880  -6.796  -1.820
  569   1HE   LYS  69          2HE       LYS  69   7.832  -5.566  -3.731
  570   2HE   LYS  69          1HE       LYS  69   8.358  -6.789  -2.576
  571   1HZ   LYS  69          1HZ       LYS  69   7.244  -8.419  -3.653
  572   2HZ   LYS  69          2HZ       LYS  69   7.457  -7.394  -4.980
  573   3HZ   LYS  69          3HZ       LYS  69   5.983  -7.409  -4.154
  574    H    ASP  70           H        ASP  70   2.836  -4.794  -5.925
  575    HA   ASP  70           HA       ASP  70   4.302  -2.526  -6.670
  576   1HB   ASP  70          2HB       ASP  70   3.595  -4.468  -8.154
  577   2HB   ASP  70          1HB       ASP  70   2.016  -3.698  -8.265
  578    H    ASN  71           H        ASN  71   0.804  -2.966  -6.210
  579    HA   ASN  71           HA       ASN  71   0.031  -0.373  -6.974
  580   1HB   ASN  71          2HB       ASN  71  -1.356  -2.579  -6.434
  581   2HB   ASN  71          1HB       ASN  71  -1.524  -1.799  -4.863
  582   1HD2  ASN  71          1HD2      ASN  71  -1.595  -0.742  -8.263
  583   2HD2  ASN  71          2HD2      ASN  71  -3.073   0.138  -8.128
  584    H    PHE  72           H        PHE  72   0.689  -1.709  -3.726
  585    HA   PHE  72           HA       PHE  72   0.196   0.665  -2.295
  586   1HB   PHE  72          2HB       PHE  72   0.288  -1.377  -1.065
  587   2HB   PHE  72          1HB       PHE  72   1.892  -1.760  -1.680
  588    HD1  PHE  72           2HD      PHE  72  -0.005   0.371   0.639
  589    HD2  PHE  72           1HD      PHE  72   3.852  -0.870  -0.659
  590    HE1  PHE  72           2HE      PHE  72   0.997   1.426   2.623
  591    HE2  PHE  72           1HE      PHE  72   4.863   0.184   1.323
  592    HZ   PHE  72           HZ       PHE  72   3.433   1.334   2.965
  593    H    LYS  73           H        LYS  73   3.223  -0.718  -3.543
  594    HA   LYS  73           HA       LYS  73   4.918   1.337  -2.646
  595   1HB   LYS  73          2HB       LYS  73   5.301  -1.076  -3.856
  596   2HB   LYS  73          1HB       LYS  73   5.681   0.023  -5.172
  597   1HG   LYS  73          2HG       LYS  73   7.603   0.689  -4.231
  598   2HG   LYS  73          1HG       LYS  73   6.918   0.719  -2.605
  599   1HD   LYS  73          2HD       LYS  73   7.150  -1.978  -3.685
  600   2HD   LYS  73          1HD       LYS  73   8.703  -1.146  -3.587
  601   1HE   LYS  73          2HE       LYS  73   8.274  -2.370  -1.536
  602   2HE   LYS  73          1HE       LYS  73   8.270  -0.635  -1.226
  603   1HZ   LYS  73          1HZ       LYS  73   6.412  -2.138  -0.248
  604   2HZ   LYS  73          2HZ       LYS  73   5.726  -2.003  -1.787
  605   3HZ   LYS  73          3HZ       LYS  73   6.018  -0.615  -0.867
  606    H    LEU  74           H        LEU  74   2.992   0.990  -5.592
  607    HA   LEU  74           HA       LEU  74   4.145   3.068  -7.079
  608   1HB   LEU  74          2HB       LEU  74   1.848   1.376  -7.278
  609   2HB   LEU  74          1HB       LEU  74   1.348   3.026  -7.594
  610    HG   LEU  74           HG       LEU  74   3.632   1.682  -9.030
  611   1HD1  LEU  74          1HD1      LEU  74   1.976   0.437  -9.931
  612   2HD1  LEU  74          2HD1      LEU  74   1.720   1.887 -10.899
  613   3HD1  LEU  74          3HD1      LEU  74   0.717   1.586  -9.482
  614   1HD2  LEU  74          1HD2      LEU  74   3.735   3.542 -10.378
  615   2HD2  LEU  74          2HD2      LEU  74   3.329   4.274  -8.825
  616   3HD2  LEU  74          3HD2      LEU  74   2.071   4.017 -10.036
  617    H    MET  75           H        MET  75   1.400   3.142  -4.787
  618    HA   MET  75           HA       MET  75   0.906   5.915  -5.122
  619   1HB   MET  75          2HB       MET  75  -0.578   4.059  -4.011
  620   2HB   MET  75          1HB       MET  75   0.270   4.534  -2.548
  621   1HG   MET  75          2HG       MET  75  -1.027   6.616  -4.264
  622   2HG   MET  75          1HG       MET  75  -1.994   5.648  -3.147
  623   1HE   MET  75          1HE       MET  75  -1.148   5.296  -0.604
  624   2HE   MET  75          2HE       MET  75  -0.189   6.485   0.275
  625   3HE   MET  75          3HE       MET  75   0.597   5.372  -0.845
  626    H    CYS  76           H        CYS  76   2.908   4.081  -2.848
  627    HA   CYS  76           HA       CYS  76   3.620   6.180  -1.140
  628   1HB   CYS  76          2HB       CYS  76   4.825   3.549  -1.859
  629   2HB   CYS  76          1HB       CYS  76   5.838   4.706  -1.006
  630    HG   CYS  76           HG       CYS  76   3.333   3.325   0.170
  631    H    THR  77           H        THR  77   5.245   4.980  -4.082
  632    HA   THR  77           HA       THR  77   7.291   6.954  -4.057
  633    HB   THR  77           HB       THR  77   6.294   5.559  -6.538
  634    HG1  THR  77           1HG      THR  77   7.865   4.495  -4.436
  635   1HG2  THR  77          1HG2      THR  77   8.106   6.395  -7.473
  636   2HG2  THR  77          2HG2      THR  77   9.105   5.539  -6.299
  637   3HG2  THR  77          3HG2      THR  77   8.552   7.180  -5.960
  638    H    ASN  78           H        ASN  78   4.073   6.769  -5.471
  639    HA   ASN  78           HA       ASN  78   4.240   9.064  -7.113
  640   1HB   ASN  78          2HB       ASN  78   1.916   7.584  -5.885
  641   2HB   ASN  78          1HB       ASN  78   1.705   8.975  -6.934
  642   1HD2  ASN  78          1HD2      ASN  78   0.459   7.101  -7.964
  643   2HD2  ASN  78          2HD2      ASN  78   1.286   6.204  -9.171
  644    H    ALA  79           H        ALA  79   3.362   8.552  -3.740
  645    HA   ALA  79           HA       ALA  79   2.364  11.186  -3.297
  646   1HB   ALA  79          1HB       ALA  79   2.910  10.420  -0.815
  647   2HB   ALA  79          2HB       ALA  79   2.994   8.841  -1.592
  648   3HB   ALA  79          3HB       ALA  79   1.519   9.800  -1.702
  649    H    MET  80           H        MET  80   5.519   9.637  -2.888
  650    HA   MET  80           HA       MET  80   6.656  11.976  -1.638
  651   1HB   MET  80          2HB       MET  80   8.763  10.755  -1.660
  652   2HB   MET  80          1HB       MET  80   7.469   9.745  -1.034
  653   1HG   MET  80          2HG       MET  80   7.303   8.806  -3.404
  654   2HG   MET  80          1HG       MET  80   8.862   9.579  -3.683
  655   1HE   MET  80          1HE       MET  80  10.873   8.793  -3.273
  656   2HE   MET  80          2HE       MET  80  11.372   7.329  -2.427
  657   3HE   MET  80          3HE       MET  80  11.058   8.809  -1.519
  658    H    ILE  81           H        ILE  81   6.408  10.709  -4.894
  659    HA   ILE  81           HA       ILE  81   8.487  12.350  -5.973
  660    HB   ILE  81           HB       ILE  81   7.754  10.260  -7.082
  661   1HG1  ILE  81          2HG1      ILE  81   7.621  11.282  -9.426
  662   2HG1  ILE  81          1HG1      ILE  81   7.667  12.849  -8.626
  663   1HG2  ILE  81          1HG2      ILE  81   5.729  10.116  -8.323
  664   2HG2  ILE  81          2HG2      ILE  81   5.335  11.804  -7.987
  665   3HG2  ILE  81          3HG2      ILE  81   5.318  10.616  -6.685
  666   1HD1  ILE  81          1HD1      ILE  81   9.857  11.895  -9.497
  667   2HD1  ILE  81          2HD1      ILE  81   9.770  10.773  -8.139
  668   3HD1  ILE  81          3HD1      ILE  81   9.840  12.510  -7.846
  669    H    TYR  82           H        TYR  82   4.913  12.628  -5.896
  670    HA   TYR  82           HA       TYR  82   5.137  15.304  -7.053
  671   1HB   TYR  82          2HB       TYR  82   3.401  13.649  -7.856
  672   2HB   TYR  82          1HB       TYR  82   2.597  13.852  -6.303
  673    HD1  TYR  82           1HD      TYR  82   4.247  16.493  -8.343
  674    HD2  TYR  82           2HD      TYR  82   0.574  14.863  -6.937
  675    HE1  TYR  82           1HE      TYR  82   3.047  18.448  -9.226
  676    HE2  TYR  82           2HE      TYR  82  -0.630  16.812  -7.820
  677    HH   TYR  82           HH       TYR  82   0.013  19.298  -8.353
  678    H    ASN  83           H        ASN  83   6.132  14.843  -4.358
  679    HA   ASN  83           HA       ASN  83   4.728  17.001  -3.067
  680   1HB   ASN  83          2HB       ASN  83   3.695  14.627  -2.418
  681   2HB   ASN  83          1HB       ASN  83   5.052  14.627  -1.294
  682   1HD2  ASN  83          1HD2      ASN  83   5.291  16.855  -0.145
  683   2HD2  ASN  83          2HD2      ASN  83   3.826  17.496   0.506
  684    H    LYS  84           H        LYS  84   6.396  18.288  -2.719
  685    HA   LYS  84           HA       LYS  84   9.016  17.270  -2.047
  686   1HB   LYS  84          2HB       LYS  84   7.864  19.790  -2.969
  687   2HB   LYS  84          1HB       LYS  84   9.071  20.033  -1.715
  688   1HG   LYS  84          2HG       LYS  84  10.618  18.591  -3.082
  689   2HG   LYS  84          1HG       LYS  84   9.421  18.682  -4.376
  690   1HD   LYS  84          2HD       LYS  84  10.171  21.263  -3.178
  691   2HD   LYS  84          1HD       LYS  84  11.465  20.436  -4.047
  692   1HE   LYS  84          2HE       LYS  84  10.397  21.810  -5.640
  693   2HE   LYS  84          1HE       LYS  84   9.832  20.173  -5.962
  694   1HZ   LYS  84          1HZ       LYS  84   7.742  20.769  -5.555
  695   2HZ   LYS  84          2HZ       LYS  84   8.264  22.377  -5.580
  696   3HZ   LYS  84          3HZ       LYS  84   8.143  21.552  -4.109
  697    HA   PRO  85           HA       PRO  85   9.095  17.834   2.338
  698   1HB   PRO  85          2HB       PRO  85  11.036  20.063   2.260
  699   2HB   PRO  85          1HB       PRO  85  11.197  18.458   2.980
  700   1HG   PRO  85          2HG       PRO  85  12.513  19.118   0.748
  701   2HG   PRO  85          1HG       PRO  85  11.855  17.486   0.982
  702   1HD   PRO  85          2HD       PRO  85  10.765  19.759  -0.640
  703   2HD   PRO  85          1HD       PRO  85  10.849  18.031  -1.040
  704    H    GLU  86           H        GLU  86   6.881  18.837   1.941
  705    HA   GLU  86           HA       GLU  86   6.664  21.689   2.354
  706   1HB   GLU  86          2HB       GLU  86   4.638  19.471   2.094
  707   2HB   GLU  86          1HB       GLU  86   4.177  21.129   2.455
  708   1HG   GLU  86          2HG       GLU  86   5.688  21.564   0.293
  709   2HG   GLU  86          1HG       GLU  86   5.144  19.925  -0.061
  710    H    THR  87           H        THR  87   5.216  18.939   4.116
  711    HA   THR  87           HA       THR  87   5.994  20.167   6.642
  712    HB   THR  87           HB       THR  87   3.438  19.411   7.255
  713    HG1  THR  87           1HG      THR  87   3.075  19.191   4.917
  714   1HG2  THR  87          1HG2      THR  87   4.561  22.071   6.492
  715   2HG2  THR  87          2HG2      THR  87   4.140  21.451   8.088
  716   3HG2  THR  87          3HG2      THR  87   2.867  21.890   6.950
  717    H    ILE  88           H        ILE  88   3.567  17.647   6.093
  718    HA   ILE  88           HA       ILE  88   5.471  15.666   7.149
  719    HB   ILE  88           HB       ILE  88   2.522  15.718   7.804
  720   1HG1  ILE  88          2HG1      ILE  88   4.436  16.210   9.982
  721   2HG1  ILE  88          1HG1      ILE  88   4.378  17.498   8.786
  722   1HG2  ILE  88          1HG2      ILE  88   3.508  14.189   9.691
  723   2HG2  ILE  88          2HG2      ILE  88   4.812  13.953   8.527
  724   3HG2  ILE  88          3HG2      ILE  88   3.156  13.531   8.093
  725   1HD1  ILE  88          1HD1      ILE  88   2.842  17.642  10.827
  726   2HD1  ILE  88          2HD1      ILE  88   1.868  16.424  10.004
  727   3HD1  ILE  88          3HD1      ILE  88   2.157  17.986   9.239
  728    H    TYR  89           H        TYR  89   3.766  16.500   4.471
  729    HA   TYR  89           HA       TYR  89   2.494  14.086   3.726
  730   1HB   TYR  89          2HB       TYR  89   3.300  16.594   2.355
  731   2HB   TYR  89          1HB       TYR  89   3.035  15.184   1.336
  732    HD1  TYR  89           2HD      TYR  89   1.420  17.346   3.886
  733    HD2  TYR  89           1HD      TYR  89   0.865  14.505   0.768
  734    HE1  TYR  89           2HE      TYR  89  -1.002  17.768   3.937
  735    HE2  TYR  89           1HE      TYR  89  -1.556  14.924   0.808
  736    HH   TYR  89           HH       TYR  89  -3.255  15.774   2.440
  737    H    TYR  90           H        TYR  90   5.717  15.412   2.968
  738    HA   TYR  90           HA       TYR  90   6.547  13.274   1.326
  739   1HB   TYR  90          2HB       TYR  90   7.662  15.509   1.425
  740   2HB   TYR  90          1HB       TYR  90   8.310  15.076   3.003
  741    HD1  TYR  90           2HD      TYR  90   8.092  13.367  -0.329
  742    HD2  TYR  90           1HD      TYR  90  10.559  14.573   2.926
  743    HE1  TYR  90           2HE      TYR  90  10.032  12.326  -1.420
  744    HE2  TYR  90           1HE      TYR  90  12.505  13.535   1.839
  745    HH   TYR  90           HH       TYR  90  12.825  11.588   0.092
  746    H    LYS  91           H        LYS  91   6.989  13.881   4.801
  747    HA   LYS  91           HA       LYS  91   8.517  11.541   5.292
  748   1HB   LYS  91          2HB       LYS  91   7.099  13.546   6.978
  749   2HB   LYS  91          1HB       LYS  91   7.535  12.012   7.719
  750   1HG   LYS  91          2HG       LYS  91   9.737  12.480   7.725
  751   2HG   LYS  91          1HG       LYS  91   9.669  13.344   6.188
  752   1HD   LYS  91          2HD       LYS  91   8.682  14.418   8.830
  753   2HD   LYS  91          1HD       LYS  91  10.231  14.817   8.085
  754   1HE   LYS  91          2HE       LYS  91   8.543  15.363   6.045
  755   2HE   LYS  91          1HE       LYS  91   7.512  15.736   7.424
  756   1HZ   LYS  91          1HZ       LYS  91  10.186  16.898   6.851
  757   2HZ   LYS  91          2HZ       LYS  91   9.292  17.195   8.256
  758   3HZ   LYS  91          3HZ       LYS  91   8.694  17.693   6.755
  759    H    ALA  92           H        ALA  92   5.052  12.232   5.372
  760    HA   ALA  92           HA       ALA  92   4.189   9.881   6.633
  761   1HB   ALA  92          1HB       ALA  92   2.704  11.773   6.310
  762   2HB   ALA  92          2HB       ALA  92   2.009  10.325   5.581
  763   3HB   ALA  92          3HB       ALA  92   2.765  11.550   4.560
  764    H    ALA  93           H        ALA  93   4.647  10.598   3.174
  765    HA   ALA  93           HA       ALA  93   3.811   8.059   2.238
  766   1HB   ALA  93          1HB       ALA  93   4.031  10.225   0.911
  767   2HB   ALA  93          2HB       ALA  93   4.549   8.739   0.115
  768   3HB   ALA  93          3HB       ALA  93   5.749   9.842   0.789
  769    H    LYS  94           H        LYS  94   6.995   9.385   3.062
  770    HA   LYS  94           HA       LYS  94   8.505   7.153   2.200
  771   1HB   LYS  94          2HB       LYS  94   9.252   9.577   2.818
  772   2HB   LYS  94          1HB       LYS  94   9.392   8.930   4.447
  773   1HG   LYS  94          2HG       LYS  94  10.842   7.099   3.359
  774   2HG   LYS  94          1HG       LYS  94  10.948   8.215   1.995
  775   1HD   LYS  94          2HD       LYS  94  11.474   9.844   4.137
  776   2HD   LYS  94          1HD       LYS  94  12.232   8.326   4.621
  777   1HE   LYS  94          2HE       LYS  94  12.696   9.301   1.850
  778   2HE   LYS  94          1HE       LYS  94  13.509  10.142   3.168
  779   1HZ   LYS  94          1HZ       LYS  94  13.674   7.225   2.636
  780   2HZ   LYS  94          2HZ       LYS  94  14.476   8.051   3.874
  781   3HZ   LYS  94          3HZ       LYS  94  14.871   8.360   2.259
  782    H    LYS  95           H        LYS  95   7.286   8.092   5.417
  783    HA   LYS  95           HA       LYS  95   8.349   5.912   6.835
  784   1HB   LYS  95          2HB       LYS  95   7.053   8.147   7.578
  785   2HB   LYS  95          1HB       LYS  95   5.729   6.999   7.714
  786   1HG   LYS  95          2HG       LYS  95   7.631   5.636   9.022
  787   2HG   LYS  95          1HG       LYS  95   8.173   7.284   9.341
  788   1HD   LYS  95          2HD       LYS  95   5.322   7.079   9.696
  789   2HD   LYS  95          1HD       LYS  95   6.152   5.859  10.665
  790   1HE   LYS  95          2HE       LYS  95   7.694   8.062  11.115
  791   2HE   LYS  95          1HE       LYS  95   6.093   8.781  10.946
  792   1HZ   LYS  95          1HZ       LYS  95   6.813   6.585  12.815
  793   2HZ   LYS  95          2HZ       LYS  95   5.278   7.278  12.656
  794   3HZ   LYS  95          3HZ       LYS  95   6.566   8.203  13.242
  795    H    LEU  96           H        LEU  96   5.272   6.318   5.134
  796    HA   LEU  96           HA       LEU  96   4.085   3.901   5.962
  797   1HB   LEU  96          2HB       LEU  96   3.480   6.027   4.126
  798   2HB   LEU  96          1HB       LEU  96   3.176   4.486   3.349
  799    HG   LEU  96           HG       LEU  96   1.163   5.373   4.423
  800   1HD1  LEU  96          1HD1      LEU  96   0.763   3.176   4.451
  801   2HD1  LEU  96          2HD1      LEU  96   1.105   3.277   6.178
  802   3HD1  LEU  96          3HD1      LEU  96   2.375   2.794   5.056
  803   1HD2  LEU  96          1HD2      LEU  96   2.783   6.307   6.364
  804   2HD2  LEU  96          2HD2      LEU  96   2.158   4.857   7.148
  805   3HD2  LEU  96          3HD2      LEU  96   1.044   6.089   6.556
  806    H    LEU  97           H        LEU  97   6.006   4.706   3.074
  807    HA   LEU  97           HA       LEU  97   5.866   2.266   1.757
  808   1HB   LEU  97          2HB       LEU  97   7.111   4.595   1.245
  809   2HB   LEU  97          1HB       LEU  97   8.494   3.645   1.755
  810    HG   LEU  97           HG       LEU  97   6.609   2.790  -0.438
  811   1HD1  LEU  97          1HD1      LEU  97   9.331   3.722  -1.091
  812   2HD1  LEU  97          2HD1      LEU  97   8.163   4.966  -0.648
  813   3HD1  LEU  97          3HD1      LEU  97   7.825   3.880  -1.995
  814   1HD2  LEU  97          1HD2      LEU  97   9.236   1.769   0.598
  815   2HD2  LEU  97          2HD2      LEU  97   8.657   1.386  -1.022
  816   3HD2  LEU  97          3HD2      LEU  97   7.719   0.896   0.389
  817    H    HIS  98           H        HIS  98   8.131   3.316   4.282
  818    HA   HIS  98           HA       HIS  98   9.697   0.971   4.324
  819   1HB   HIS  98          2HB       HIS  98   9.176   3.071   6.433
  820   2HB   HIS  98          1HB       HIS  98  10.319   1.751   6.654
  821    HD1  HIS  98           1HD      HIS  98  11.944   3.972   6.906
  822    HD2  HIS  98           2HD      HIS  98  10.603   2.985   3.097
  823    HE1  HIS  98           1HE      HIS  98  13.496   5.154   5.317
  824    HE2  HIS  98           2HE      HIS  98  12.670   4.535   3.018
  825    H    SER  99           H        SER  99   6.814   1.930   6.159
  826    HA   SER  99           HA       SER  99   6.720  -0.313   7.863
  827   1HB   SER  99          2HB       SER  99   4.854   1.844   7.073
  828   2HB   SER  99          1HB       SER  99   4.098   0.358   7.646
  829    HG   SER  99           HG       SER  99   4.458   1.410   9.482
  830    H    GLY 100           H        GLY 100   5.382   0.281   4.639
  831   1HA   GLY 100          2HA       GLY 100   3.851  -2.098   4.476
  832   2HA   GLY 100          1HA       GLY 100   4.385  -1.121   3.118
  833    H    MET 101           H        MET 101   7.223  -1.388   3.745
  834    HA   MET 101           HA       MET 101   7.726  -3.800   2.328
  835   1HB   MET 101          2HB       MET 101   9.234  -1.491   3.166
  836   2HB   MET 101          1HB       MET 101  10.135  -2.958   3.522
  837   1HG   MET 101          2HG       MET 101   9.150  -3.351   0.959
  838   2HG   MET 101          1HG       MET 101   9.640  -1.659   0.994
  839   1HE   MET 101          1HE       MET 101  10.457  -5.175   1.879
  840   2HE   MET 101          2HE       MET 101  12.214  -5.325   1.822
  841   3HE   MET 101          3HE       MET 101  11.281  -5.300   0.324
  842    H    LYS 102           H        LYS 102   8.342  -2.807   5.697
  843    HA   LYS 102           HA       LYS 102   9.512  -5.218   6.523
  844   1HB   LYS 102          2HB       LYS 102   9.002  -4.484   8.820
  845   2HB   LYS 102          1HB       LYS 102   9.729  -3.207   7.854
  846   1HG   LYS 102          2HG       LYS 102   7.504  -2.229   7.504
  847   2HG   LYS 102          1HG       LYS 102   6.805  -3.487   8.524
  848   1HD   LYS 102          2HD       LYS 102   8.934  -2.376   9.981
  849   2HD   LYS 102          1HD       LYS 102   8.054  -1.020   9.276
  850   1HE   LYS 102          2HE       LYS 102   6.369  -3.127  10.441
  851   2HE   LYS 102          1HE       LYS 102   7.382  -2.264  11.597
  852   1HZ   LYS 102          1HZ       LYS 102   5.076  -1.335  11.115
  853   2HZ   LYS 102          2HZ       LYS 102   5.710  -0.813   9.637
  854   3HZ   LYS 102          3HZ       LYS 102   6.369  -0.245  11.087
  855    H    ILE 103           H        ILE 103   6.111  -4.133   6.723
  856    HA   ILE 103           HA       ILE 103   5.139  -6.453   7.988
  857    HB   ILE 103           HB       ILE 103   2.916  -5.758   7.156
  858   1HG1  ILE 103          2HG1      ILE 103   3.177  -3.235   6.188
  859   2HG1  ILE 103          1HG1      ILE 103   4.570  -4.017   5.453
  860   1HG2  ILE 103          1HG2      ILE 103   3.094  -3.380   8.254
  861   2HG2  ILE 103          2HG2      ILE 103   4.720  -3.938   8.652
  862   3HG2  ILE 103          3HG2      ILE 103   3.314  -4.848   9.206
  863   1HD1  ILE 103          1HD1      ILE 103   2.074  -3.991   4.409
  864   2HD1  ILE 103          2HD1      ILE 103   2.080  -5.539   5.249
  865   3HD1  ILE 103          3HD1      ILE 103   3.307  -5.192   4.033
  866    H    LEU 104           H        LEU 104   5.574  -5.628   4.571
  867    HA   LEU 104           HA       LEU 104   4.163  -7.805   3.486
  868   1HB   LEU 104          2HB       LEU 104   6.130  -5.843   2.507
  869   2HB   LEU 104          1HB       LEU 104   6.068  -7.350   1.611
  870    HG   LEU 104           HG       LEU 104   3.502  -5.944   2.178
  871   1HD1  LEU 104          1HD1      LEU 104   3.797  -4.232   0.754
  872   2HD1  LEU 104          2HD1      LEU 104   4.839  -5.164  -0.320
  873   3HD1  LEU 104          3HD1      LEU 104   5.502  -4.451   1.150
  874   1HD2  LEU 104          1HD2      LEU 104   4.169  -7.100  -0.452
  875   2HD2  LEU 104          2HD2      LEU 104   2.694  -7.227   0.506
  876   3HD2  LEU 104          3HD2      LEU 104   4.087  -8.234   0.895
  877    H    SER 105           H        SER 105   7.375  -7.598   4.857
  878    HA   SER 105           HA       SER 105   8.534  -9.870   3.700
  879   1HB   SER 105          2HB       SER 105   9.104  -9.221   6.565
  880   2HB   SER 105          1HB       SER 105  10.217  -9.669   5.273
  881    HG   SER 105           HG       SER 105   9.734  -7.268   6.134
  882    H    GLN 106           H        GLN 106   6.206  -9.549   6.297
  883    HA   GLN 106           HA       GLN 106   6.473 -12.191   7.319
  884   1HB   GLN 106          2HB       GLN 106   4.565  -9.943   7.662
  885   2HB   GLN 106          1HB       GLN 106   3.983 -11.550   8.074
  886   1HG   GLN 106          2HG       GLN 106   5.990 -11.801   9.549
  887   2HG   GLN 106          1HG       GLN 106   6.343 -10.101   9.244
  888   1HE2  GLN 106          1HE2      GLN 106   4.217  -8.717   9.519
  889   2HE2  GLN 106          2HE2      GLN 106   3.401  -8.981  11.018
  890    H    GLU 107           H        GLU 107   4.601 -10.778   4.705
  891    HA   GLU 107           HA       GLU 107   2.658 -12.729   4.340
  892   1HB   GLU 107          2HB       GLU 107   3.904 -10.654   2.672
  893   2HB   GLU 107          1HB       GLU 107   3.255 -12.010   1.763
  894   1HG   GLU 107          2HG       GLU 107   1.386 -11.153   3.775
  895   2HG   GLU 107          1HG       GLU 107   1.869  -9.802   2.750
  896    H    ARG 108           H        ARG 108   5.964 -12.628   3.016
  897    HA   ARG 108           HA       ARG 108   5.613 -15.337   1.967
  898   1HB   ARG 108          2HB       ARG 108   7.212 -13.044   1.224
  899   2HB   ARG 108          1HB       ARG 108   8.225 -14.468   1.413
  900   1HG   ARG 108          2HG       ARG 108   6.779 -15.688  -0.150
  901   2HG   ARG 108          1HG       ARG 108   5.798 -14.235  -0.355
  902   1HD   ARG 108          2HD       ARG 108   7.282 -13.288  -1.743
  903   2HD   ARG 108          1HD       ARG 108   8.658 -13.787  -0.763
  904    HE   ARG 108           HE       ARG 108   8.939 -15.585  -2.141
  905   1HH1  ARG 108          1HH1      ARG 108   5.711 -14.317  -2.637
  906   2HH1  ARG 108          2HH1      ARG 108   5.382 -15.343  -3.990
  907   1HH2  ARG 108          1HH2      ARG 108   8.499 -16.935  -3.930
  908   2HH2  ARG 108          2HH2      ARG 108   6.965 -16.830  -4.725
  909    H    LEU 109           H        LEU 109   8.061 -13.561   3.881
  910    HA   LEU 109           HA       LEU 109   9.182 -16.031   4.881
  911   1HB   LEU 109          2HB       LEU 109   9.803 -13.159   5.583
  912   2HB   LEU 109          1HB       LEU 109  10.710 -14.550   6.141
  913    HG   LEU 109           HG       LEU 109  10.918 -14.979   3.511
  914   1HD1  LEU 109          1HD1      LEU 109  11.476 -12.490   2.719
  915   2HD1  LEU 109          2HD1      LEU 109  10.135 -12.143   3.809
  916   3HD1  LEU 109          3HD1      LEU 109   9.908 -13.250   2.456
  917   1HD2  LEU 109          1HD2      LEU 109  13.007 -13.336   3.777
  918   2HD2  LEU 109          2HD2      LEU 109  12.931 -14.918   4.552
  919   3HD2  LEU 109          3HD2      LEU 109  12.538 -13.466   5.472
  920    H    GLU 110           H        GLU 110   8.548 -17.067   6.661
  921    HA   GLU 110           HA       GLU 110   7.548 -15.620   8.958
  922   1HB   GLU 110          2HB       GLU 110   5.661 -16.380   7.164
  923   2HB   GLU 110          1HB       GLU 110   5.738 -17.820   8.168
  924   1HG   GLU 110          2HG       GLU 110   5.529 -16.114  10.131
  925   2HG   GLU 110          1HG       GLU 110   4.883 -15.056   8.879
  926    H    HIS 111           H        HIS 111   8.510 -16.498  10.666
  927    HA   HIS 111           HA       HIS 111   9.534 -17.962  12.067
  928   1HB   HIS 111          2HB       HIS 111   7.243 -19.369  10.977
  929   2HB   HIS 111          1HB       HIS 111   8.539 -20.489  11.376
  930    HD1  HIS 111           1HD      HIS 111   8.728 -21.149  13.771
  931    HD2  HIS 111           2HD      HIS 111   6.469 -17.695  13.268
  932    HE1  HIS 111           1HE      HIS 111   7.805 -20.611  16.049
  933    HE2  HIS 111           2HE      HIS 111   6.355 -18.580  15.696
  934    H    HIS 112           H        HIS 112  11.508 -17.501  10.839
  935    HA   HIS 112           HA       HIS 112  12.490 -19.877   9.392
  936   1HB   HIS 112          2HB       HIS 112  12.183 -17.403   8.291
  937   2HB   HIS 112          1HB       HIS 112  13.845 -17.307   8.861
  938    HD1  HIS 112           1HD      HIS 112  11.756 -18.707   6.183
  939    HD2  HIS 112           2HD      HIS 112  15.594 -19.277   7.672
  940    HE1  HIS 112           1HE      HIS 112  12.990 -19.978   4.397
  941    HE2  HIS 112           2HE      HIS 112  15.303 -20.334   5.331
  942    H    HIS 113           H        HIS 113  14.902 -20.101   9.456
  943    HA   HIS 113           HA       HIS 113  15.826 -20.219  12.110
  944   1HB   HIS 113          2HB       HIS 113  16.908 -20.828   9.438
  945   2HB   HIS 113          1HB       HIS 113  18.125 -20.403  10.635
  946    HD1  HIS 113           1HD      HIS 113  15.665 -23.055   9.739
  947    HD2  HIS 113           2HD      HIS 113  18.430 -22.254  12.736
  948    HE1  HIS 113           1HE      HIS 113  15.929 -25.213  11.005
  949    HE2  HIS 113           2HE      HIS 113  17.688 -24.732  12.743
  950    H    HIS 114           H        HIS 114  18.023 -19.262  12.770
  951    HA   HIS 114           HA       HIS 114  19.343 -17.468  13.266
  952   1HB   HIS 114          2HB       HIS 114  19.388 -17.287  10.681
  953   2HB   HIS 114          1HB       HIS 114  18.231 -15.976  10.897
  954    HD1  HIS 114           1HD      HIS 114  19.213 -13.726  11.237
  955    HD2  HIS 114           2HD      HIS 114  21.914 -16.752  12.151
  956    HE1  HIS 114           1HE      HIS 114  21.388 -12.561  11.726
  957    HE2  HIS 114           2HE      HIS 114  23.018 -14.413  12.238
  958    H    HIS 115           H        HIS 115  19.172 -15.087  13.899
  959    HA   HIS 115           HA       HIS 115  16.493 -14.646  15.003
  960   1HB   HIS 115          2HB       HIS 115  19.150 -13.434  15.795
  961   2HB   HIS 115          1HB       HIS 115  17.611 -13.108  16.582
  962    HD1  HIS 115           1HD      HIS 115  17.115 -16.454  16.102
  963    HD2  HIS 115           2HD      HIS 115  19.855 -14.399  18.457
  964    HE1  HIS 115           1HE      HIS 115  17.829 -18.082  17.877
  965    HE2  HIS 115           2HE      HIS 115  19.413 -16.786  19.347
  966    H    HIS 116           H        HIS 116  15.218 -13.225  14.053
  967    HA   HIS 116           HA       HIS 116  16.367 -11.206  12.276
  968   1HB   HIS 116          2HB       HIS 116  14.276 -12.870  11.885
  969   2HB   HIS 116          1HB       HIS 116  13.423 -11.473  12.526
  970    HD1  HIS 116           1HD      HIS 116  15.327  -9.338  11.122
  971    HD2  HIS 116           2HD      HIS 116  13.414 -12.533   9.275
  972    HE1  HIS 116           1HE      HIS 116  15.141  -8.701   8.696
  973    HE2  HIS 116           2HE      HIS 116  13.894 -10.605   7.618