*HEADER    HYDROLASE                               18-MAR-05   1Z5F              
*TITLE     SOLUTION STRUCTURE OF THE CYTOTOXIC RC-RNASE 3 WITH A                 
*TITLE    2 PYROGLUTAMATE RESIDUE AT THE N-TERMINUS                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RC-RNASE 3;                                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: RC-RNASE3 RIBONUCLEASE;                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RANA CATESBEIANA;                               
*SOURCE   3 ORGANISM_COMMON: BULLFROG;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_TISSUE: OOCYTE;                                    
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET11D                                    
*KEYWDS    RIBONUCLEASE, PYROGLUTAMATE, CYTOTOXICITY, NMR, BULLFROG              
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    Y.C.LOU, Y.C.HUANG, Y.R.PAN, C.CHEN, Y.D.LIAO                         
*REVDAT   1   28-FEB-06 1Z5F    0                                                

! NOE
assign (resid 1 and name HB* ) (resid 1 and name HN ) 5.50  3.70  0
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assign (resid 1 and name HG* ) (resid 1 and name HN ) 5.50  3.70  0
assign (resid 1 and name HN ) (resid 2 and name HB* ) 5.50  3.70  0
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assign (resid 1 and name HG* ) (resid 2 and name HN ) 4.95  3.15  0
assign (resid 1 and name HA ) (resid 2 and name HN ) 5.16  3.36  0
assign (resid 1 and name HN ) (resid 5 and name HG2* ) 4.70  2.90  0
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assign (resid 1 and name HB* ) (resid 5 and name HG2* ) 5.50  3.70  0
assign (resid 1 and name HG* ) (resid 9 and name HE* ) 4.80  3.00  0
assign (resid 1 and name HN ) (resid 96 and name HA ) 3.44  1.64  0
assign (resid 1 and name HN ) (resid 96 and name HB ) 4.70  2.90  0
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assign (resid 1 and name HA ) (resid 96 and name HB ) 5.00  3.20  0
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assign (resid 2 and name HN ) (resid 6 and name HN ) 5.20  3.40  0
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assign (resid 2 and name HN ) (resid 96 and name HB ) 4.70  2.90  0
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assign (resid 3 and name HB* ) (resid 94 and name HD* ) 5.50  3.70  0
assign (resid 3 and name HN ) (resid 96 and name HG* ) 5.50  3.70  0
assign (resid 3 and name HE3 ) (resid 96 and name HA ) 5.50  3.70  0
assign (resid 4 and name HG* ) (resid 5 and name HN ) 5.50  3.70  0
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assign (resid 6 and name HN ) (resid 8 and name HN ) 4.70  2.90  0
assign (resid 6 and name HN ) (resid 3 and name HA ) 4.70  2.90  0
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assign (resid 6 and name HN ) (resid 96 and name HA ) 5.20  3.40  0
assign (resid 6 and name HN ) (resid 96 and name HB ) 5.20  3.40  0
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assign (resid 7 and name HN ) (resid 8 and name HN ) 3.20  1.40  0
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assign (resid 7 and name HA ) (resid 8 and name HN ) 5.50  3.70  0
assign (resid 7 and name HB* ) (resid 8 and name HN ) 5.00  3.20  0
assign (resid 7 and name HE21 ) (resid 8 and name HG* ) 4.58  2.78  0
assign (resid 7 and name HN ) (resid 4 and name HA ) 4.70  2.90  0
assign (resid 7 and name HA ) (resid 11 and name HN ) 3.70  1.90  0
assign (resid 7 and name HA ) (resid 11 and name HD* ) 5.50  3.70  0
assign (resid 7 and name HA ) (resid 11 and name HB* ) 5.20  3.40  0
assign (resid 8 and name HN ) (resid 8 and name HA ) 4.12  2.32  0
assign (resid 8 and name HN ) (resid 8 and name HB* ) 3.24  1.44  0
assign (resid 8 and name HN ) (resid 8 and name HG* ) 4.03  2.23  0
assign (resid 8 and name HA ) (resid 9 and name HN ) 5.10  3.30  0
assign (resid 8 and name HB* ) (resid 9 and name HN ) 3.99  2.19  0
assign (resid 8 and name HN ) (resid 9 and name HN ) 2.70  0.90  0
assign (resid 8 and name HN ) (resid 5 and name HB ) 5.00  3.20  0
assign (resid 8 and name HN ) (resid 5 and name HG2* ) 5.50  3.70  0
assign (resid 9 and name HN ) (resid 9 and name HA ) 4.18  2.38  0
assign (resid 9 and name HN ) (resid 9 and name HB* ) 5.18  3.38  0
assign (resid 9 and name HN ) (resid 9 and name HG* ) 4.50  2.70  0
assign (resid 9 and name HN ) (resid 10 and name HN ) 2.70  0.90  0
assign (resid 9 and name HG* ) (resid 10 and name HN ) 5.50  3.70  0
assign (resid 9 and name HD* ) (resid 10 and name HD2 ) 4.50  2.70  0
assign (resid 9 and name HN ) (resid 27 and name HD* ) 5.50  3.70  0
assign (resid 9 and name HA ) (resid 27 and name HD* ) 5.00  3.20  0
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assign (resid 10 and name HN ) (resid 10 and name HA ) 5.50  3.70  0
assign (resid 10 and name HN ) (resid 10 and name HB* ) 5.50  3.70  0
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assign (resid 10 and name HB* ) (resid 11 and name HN ) 5.50  3.70  0
assign (resid 10 and name HA ) (resid 11 and name HN ) 5.50  3.70  0
assign (resid 10 and name HN ) (resid 11 and name HN ) 5.02  3.22  0
assign (resid 10 and name HA ) (resid 36 and name HA ) 2.70  0.90  0
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assign (resid 10 and name HA ) (resid 37 and name HD1* ) 5.50  3.70  0
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assign (resid 11 and name HN ) (resid 11 and name HB* ) 3.63  1.83  0
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assign (resid 11 and name HN ) (resid 10 and name HN ) 2.70  0.90  0
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assign (resid 11 and name HA ) (resid 12 and name HG2* ) 4.44  2.64  0
assign (resid 11 and name HA ) (resid 12 and name HB ) 5.50  3.70  0
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assign (resid 11 and name HD* ) (resid 37 and name HN ) 4.50  2.70  0
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assign (resid 11 and name HA ) (resid 37 and name HD1* ) 5.50  3.70  0
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assign (resid 11 and name HA ) (resid 39 and name HN ) 5.00  3.20  0
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assign (resid 11 and name HD* ) (resid 39 and name HN ) 5.50  3.70  0
assign (resid 12 and name HN ) (resid 12 and name HB ) 4.99  3.19  0
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assign (resid 12 and name HN ) (resid 12 and name HG2* ) 3.75  1.95  0
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assign (resid 12 and name HG2* ) (resid 13 and name HN ) 5.38  3.58  0
assign (resid 12 and name HB ) (resid 13 and name HN ) 5.50  3.70  0
assign (resid 12 and name HA ) (resid 14 and name HN ) 4.94  3.14  0
assign (resid 12 and name HG2* ) (resid 14 and name HN ) 4.26  2.46  0
assign (resid 12 and name HB ) (resid 17 and name HG* ) 5.01  3.21  0
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assign (resid 12 and name HB ) (resid 36 and name HD* ) 5.50  3.70  0
assign (resid 12 and name HB ) (resid 36 and name HB* ) 5.50  3.70  0
assign (resid 12 and name HN ) (resid 37 and name HN ) 4.70  2.90  0
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assign (resid 12 and name HN ) (resid 39 and name HN ) 4.70  2.90  0
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assign (resid 13 and name HN ) (resid 13 and name HB* ) 4.27  2.47  0
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assign (resid 13 and name HB* ) (resid 14 and name HN ) 5.50  3.70  0
assign (resid 14 and name HN ) (resid 14 and name HA ) 3.91  2.11  0
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assign (resid 14 and name HN ) (resid 14 and name HG2* ) 3.67  1.87  0
assign (resid 14 and name HA ) (resid 14 and name HG2* ) 4.39  2.59  0
assign (resid 14 and name HA ) (resid 14 and name HB ) 4.00  2.20  0
assign (resid 14 and name HN ) (resid 13 and name HN ) 2.70  0.90  0
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assign (resid 14 and name HG2* ) (resid 15 and name HN ) 5.10  3.30  0
assign (resid 14 and name HA ) (resid 15 and name HG* ) 5.11  3.31  0
assign (resid 14 and name HG2* ) (resid 16 and name HN ) 5.01  3.21  0
assign (resid 14 and name HN ) (resid 16 and name HN ) 5.50  3.70  0
assign (resid 14 and name HA ) (resid 16 and name HN ) 5.50  3.70  0
assign (resid 14 and name HN ) (resid 17 and name HG* ) 5.20  3.40  0
assign (resid 14 and name HG2* ) (resid 17 and name HA ) 4.29  2.49  0
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assign (resid 14 and name HA ) (resid 38 and name HD* ) 5.50  3.70  0
assign (resid 14 and name HA ) (resid 38 and name HE* ) 4.41  2.61  0
assign (resid 15 and name HN ) (resid 15 and name HA ) 4.34  2.54  0
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assign (resid 15 and name HN ) (resid 16 and name HN ) 2.70  0.90  0
assign (resid 15 and name HA ) (resid 16 and name HN ) 5.50  3.70  0
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assign (resid 15 and name HE* ) (resid 64 and name HB* ) 5.50  3.70  0
assign (resid 15 and name HG* ) (resid 64 and name HD* ) 5.50  3.70  0
assign (resid 16 and name HN ) (resid 16 and name HA ) 5.18  3.38  0
assign (resid 16 and name HN ) (resid 16 and name HB* ) 4.72  2.92  0
assign (resid 16 and name HN ) (resid 16 and name HD* ) 4.17  2.37  0
assign (resid 16 and name HA ) (resid 17 and name HN ) 3.65  1.85  0
assign (resid 16 and name HA ) (resid 17 and name HG1* ) 5.50  3.70  0
assign (resid 17 and name HN ) (resid 17 and name HB ) 3.64  1.84  0
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assign (resid 17 and name HN ) (resid 17 and name HA ) 4.49  2.69  0
assign (resid 17 and name HN ) (resid 17 and name HG2* ) 4.40  2.60  0
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assign (resid 17 and name HG2* ) (resid 18 and name HN ) 4.30  2.50  0
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assign (resid 17 and name HB ) (resid 19 and name HN ) 5.20  3.40  0
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assign (resid 18 and name HN ) (resid 18 and name HD* ) 5.00  3.20  0
assign (resid 18 and name HN ) (resid 18 and name HG* ) 4.25  2.45  0
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assign (resid 18 and name HG* ) (resid 19 and name HN ) 5.50  3.70  0
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assign (resid 18 and name HB* ) (resid 20 and name HN ) 5.50  3.70  0
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assign (resid 19 and name HN ) (resid 19 and name HA ) 4.27  2.47  0
assign (resid 19 and name HN ) (resid 19 and name HB* ) 4.17  2.37  0
assign (resid 19 and name HA ) (resid 20 and name HN ) 5.47  3.67  0
assign (resid 19 and name HB* ) (resid 20 and name HN ) 4.67  2.87  0
assign (resid 19 and name HN ) (resid 20 and name HN ) 4.70  2.90  0
assign (resid 19 and name HN ) (resid 20 and name HB* ) 5.50  3.70  0
assign (resid 19 and name HA ) (resid 22 and name HN ) 5.20  3.40  0
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assign (resid 19 and name HA ) (resid 77 and name HB* ) 5.50  3.70  0
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assign (resid 20 and name HN ) (resid 21 and name HG2* ) 5.27  3.47  0
assign (resid 20 and name HA ) (resid 21 and name HN ) 5.32  3.52  0
assign (resid 20 and name HB1 ) (resid 21 and name HN ) 5.23  3.43  0
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assign (resid 20 and name HA ) (resid 77 and name HD* ) 5.50  3.70  0
assign (resid 20 and name HB* ) (resid 77 and name HN ) 5.50  3.70  0
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assign (resid 21 and name HN ) (resid 21 and name HG* ) 4.50  2.70  0
assign (resid 21 and name HG* ) (resid 22 and name HN ) 5.00  3.20  0
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assign (resid 87 and name HN ) (resid 99 and name HB* ) 4.14  2.34  0
assign (resid 87 and name HB* ) (resid 99 and name HB* ) 5.35  3.55  0
assign (resid 87 and name HN ) (resid 100 and name HN ) 5.20  3.40  0
assign (resid 87 and name HB* ) (resid 100 and name HN ) 3.99  2.19  0
assign (resid 87 and name HN ) (resid 101 and name HA ) 5.20  3.40  0
assign (resid 87 and name HB* ) (resid 104 and name HA ) 4.39  2.59  0
assign (resid 88 and name HN ) (resid 88 and name HA ) 4.49  2.69  0
assign (resid 88 and name HN ) (resid 88 and name HB ) 4.09  2.29  0
assign (resid 88 and name HN ) (resid 88 and name HG1* ) 4.00  2.20  0
assign (resid 88 and name HA ) (resid 88 and name HB ) 5.38  3.58  0
assign (resid 88 and name HA ) (resid 88 and name HG2* ) 5.20  3.40  0
assign (resid 88 and name HA ) (resid 88 and name HB ) 4.68  2.88  0
assign (resid 88 and name HA ) (resid 88 and name HG2* ) 4.67  2.87  0
assign (resid 88 and name HA ) (resid 88 and name HB ) 4.68  2.88  0
assign (resid 88 and name HN ) (resid 87 and name HA ) 2.70  0.90  0
assign (resid 88 and name HB ) (resid 89 and name HN ) 4.02  2.22  0
assign (resid 88 and name HG2* ) (resid 89 and name HN ) 5.00  3.20  0
assign (resid 88 and name HA ) (resid 98 and name HA ) 5.21  3.41  0
assign (resid 88 and name HG2* ) (resid 98 and name HA ) 4.96  3.16  0
assign (resid 88 and name HG2* ) (resid 99 and name HN ) 5.20  3.40  0
assign (resid 88 and name HA ) (resid 99 and name HN ) 3.91  2.11  0
assign (resid 88 and name HB ) (resid 99 and name HN ) 5.50  3.70  0
assign (resid 88 and name HA ) (resid 99 and name HB* ) 5.21  3.41  0
assign (resid 88 and name HN ) (resid 58 and name HA ) 4.70  2.90  0
assign (resid 89 and name HN ) (resid 89 and name HB ) 4.13  2.33  0
assign (resid 89 and name HN ) (resid 89 and name HG2* ) 4.37  2.57  0
assign (resid 89 and name HA ) (resid 89 and name HB ) 5.40  3.60  0
assign (resid 89 and name HA ) (resid 89 and name HG2* ) 4.27  2.47  0
assign (resid 89 and name HN ) (resid 89 and name HA ) 5.43  3.63  0
assign (resid 89 and name HN ) (resid 88 and name HA ) 2.70  0.90  0
assign (resid 89 and name HG2* ) (resid 90 and name HN ) 3.84  2.04  0
assign (resid 89 and name HN ) (resid 90 and name HN ) 4.70  2.90  0
assign (resid 89 and name HN ) (resid 97 and name HN ) 3.20  1.40  0
assign (resid 89 and name HN ) (resid 97 and name HB* ) 5.00  3.20  0
assign (resid 89 and name HB ) (resid 97 and name HN ) 4.42  2.62  0
assign (resid 89 and name HG2* ) (resid 97 and name HN ) 4.69  2.89  0
assign (resid 89 and name HB ) (resid 97 and name HD2 ) 5.50  3.70  0
assign (resid 89 and name HB ) (resid 97 and name HB* ) 4.50  2.70  0
assign (resid 89 and name HN ) (resid 98 and name HA ) 4.70  2.90  0
assign (resid 89 and name HN ) (resid 99 and name HN ) 5.20  3.40  0
assign (resid 89 and name HN ) (resid 99 and name HB* ) 5.10  3.30  0
assign (resid 90 and name HN ) (resid 90 and name HB* ) 3.66  1.86  0
assign (resid 90 and name HN ) (resid 90 and name HA ) 4.33  2.53  0
assign (resid 90 and name HA ) (resid 90 and name HB* ) 4.44  2.64  0
assign (resid 90 and name HN ) (resid 89 and name HA ) 2.70  0.90  0
assign (resid 90 and name HB* ) (resid 91 and name HN ) 4.19  2.39  0
assign (resid 90 and name HA ) (resid 91 and name HN ) 4.06  2.26  0
assign (resid 90 and name HA ) (resid 95 and name HA ) 4.73  2.93  0
assign (resid 90 and name HA ) (resid 96 and name HN ) 4.38  2.58  0
assign (resid 90 and name HN ) (resid 55 and name HN ) 4.70  2.90  0
assign (resid 91 and name HN ) (resid 91 and name HA ) 4.41  2.61  0
assign (resid 91 and name HN ) (resid 91 and name HB ) 4.07  2.27  0
assign (resid 91 and name HN ) (resid 91 and name HG* ) 3.80  2.00  0
assign (resid 91 and name HN ) (resid 90 and name HA ) 3.20  1.40  0
assign (resid 91 and name HB ) (resid 92 and name HN ) 5.50  3.70  0
assign (resid 91 and name HG* ) (resid 92 and name HN ) 4.06  2.26  0
assign (resid 91 and name HG* ) (resid 93 and name HN ) 5.20  3.40  0
assign (resid 91 and name HN ) (resid 93 and name HN ) 5.50  3.70  0
assign (resid 91 and name HN ) (resid 94 and name HN ) 3.20  1.40  0
assign (resid 91 and name HN ) (resid 94 and name HB* ) 5.50  3.70  0
assign (resid 91 and name HB ) (resid 94 and name HN ) 5.50  3.70  0
assign (resid 91 and name HN ) (resid 95 and name HA ) 4.70  2.90  0
assign (resid 91 and name HN ) (resid 96 and name HN ) 5.00  3.20  0
assign (resid 92 and name HN ) (resid 92 and name HA ) 3.61  1.81  0
assign (resid 92 and name HN ) (resid 92 and name HB* ) 4.67  2.87  0
assign (resid 92 and name HA ) (resid 92 and name HB* ) 4.27  2.47  0
assign (resid 92 and name HN ) (resid 91 and name HA ) 3.20  1.40  0
assign (resid 92 and name HB* ) (resid 93 and name HN ) 4.75  2.95  0
assign (resid 92 and name HA ) (resid 93 and name HG* ) 5.50  3.70  0
assign (resid 92 and name HB* ) (resid 94 and name HN ) 5.20  3.40  0
assign (resid 93 and name HN ) (resid 93 and name HA ) 3.69  1.89  0
assign (resid 93 and name HN ) (resid 93 and name HG* ) 4.59  2.79  0
assign (resid 93 and name HN ) (resid 93 and name HB* ) 3.93  2.13  0
assign (resid 93 and name HN ) (resid 92 and name HN ) 3.20  1.40  0
assign (resid 93 and name HN ) (resid 92 and name HA ) 3.20  1.40  0
assign (resid 93 and name HN ) (resid 94 and name HN ) 3.20  1.40  0
assign (resid 93 and name HA ) (resid 94 and name HN ) 4.85  3.05  0
assign (resid 94 and name HN ) (resid 94 and name HD* ) 5.50  3.70  0
assign (resid 94 and name HN ) (resid 94 and name HA ) 4.86  3.06  0
assign (resid 94 and name HN ) (resid 94 and name HB* ) 4.03  2.23  0
assign (resid 94 and name HA ) (resid 94 and name HG ) 4.98  3.18  0
assign (resid 94 and name HA ) (resid 94 and name HB* ) 4.83  3.03  0
assign (resid 94 and name HA ) (resid 94 and name HD* ) 5.00  3.20  0
assign (resid 94 and name HN ) (resid 48 and name HB* ) 3.70  1.90  0
assign (resid 95 and name HA ) (resid 97 and name HN ) 4.57  2.77  0
assign (resid 96 and name HN ) (resid 96 and name HA ) 4.64  2.84  0
assign (resid 96 and name HN ) (resid 96 and name HB ) 5.04  3.24  0
assign (resid 96 and name HN ) (resid 96 and name HG1* ) 3.98  2.18  0
assign (resid 96 and name HN ) (resid 96 and name HG2* ) 4.25  2.45  0
assign (resid 96 and name HN ) (resid 96 and name HD1* ) 4.00  2.20  0
assign (resid 96 and name HA ) (resid 96 and name HB ) 4.23  2.43  0
assign (resid 96 and name HA ) (resid 96 and name HG2* ) 4.13  2.33  0
assign (resid 96 and name HN ) (resid 95 and name HA ) 2.70  0.90  0
assign (resid 96 and name HN ) (resid 97 and name HB* ) 5.50  3.70  0
assign (resid 96 and name HN ) (resid 97 and name HN ) 2.70  0.90  0
assign (resid 96 and name HB ) (resid 97 and name HN ) 5.50  3.70  0
assign (resid 96 and name HD1* ) (resid 97 and name HN ) 3.95  2.15  0
assign (resid 96 and name HG1* ) (resid 97 and name HD2 ) 5.50  3.70  0
assign (resid 97 and name HN ) (resid 97 and name HB* ) 4.15  2.35  0
assign (resid 97 and name HN ) (resid 97 and name HA ) 5.11  3.31  0
assign (resid 97 and name HA ) (resid 97 and name HD2 ) 4.89  3.09  0
assign (resid 97 and name HA ) (resid 97 and name HB* ) 4.34  2.54  0
assign (resid 97 and name HN ) (resid 97 and name HA ) 5.36  3.56  0
assign (resid 97 and name HN ) (resid 96 and name HA ) 4.70  2.90  0
assign (resid 98 and name HA ) (resid 98 and name HB* ) 4.54  2.74  0
assign (resid 98 and name HA ) (resid 98 and name HD* ) 5.36  3.56  0
assign (resid 98 and name HB* ) (resid 99 and name HN ) 5.50  3.70  0
assign (resid 98 and name HA ) (resid 100 and name HN ) 5.50  3.70  0
assign (resid 99 and name HN ) (resid 99 and name HA ) 4.42  2.62  0
assign (resid 99 and name HN ) (resid 99 and name HB* ) 3.71  1.91  0
assign (resid 99 and name HA ) (resid 99 and name HB* ) 4.39  2.59  0
assign (resid 99 and name HN ) (resid 98 and name HA ) 2.70  0.90  0
assign (resid 99 and name HN ) (resid 100 and name HN ) 3.20  1.40  0
assign (resid 99 and name HB* ) (resid 100 and name HN ) 4.05  2.25  0
assign (resid 100 and name HN ) (resid 100 and name HA1 ) 4.00  2.20  0
assign (resid 100 and name HN ) (resid 100 and name HA2 ) 4.30  2.50  0
assign (resid 100 and name HA1 ) (resid 101 and name HN ) 3.54  1.74  0
assign (resid 100 and name HA2 ) (resid 101 and name HN ) 3.55  1.75  0
assign (resid 101 and name HN ) (resid 101 and name HA ) 5.18  3.38  0
assign (resid 101 and name HN ) (resid 101 and name HB ) 3.94  2.14  0
assign (resid 101 and name HN ) (resid 101 and name HG* ) 4.50  2.70  0
assign (resid 101 and name HA ) (resid 101 and name HB ) 4.71  2.91  0
assign (resid 101 and name HA ) (resid 101 and name HG* ) 4.40  2.60  0
assign (resid 101 and name HA ) (resid 102 and name HN ) 3.44  1.64  0
assign (resid 101 and name HG* ) (resid 102 and name HN ) 4.20  2.40  0
assign (resid 101 and name HB ) (resid 102 and name HN ) 4.98  3.18  0
assign (resid 101 and name HN ) (resid 102 and name HN ) 5.50  3.70  0
assign (resid 101 and name HG* ) (resid 102 and name HA* ) 5.50  3.70  0
assign (resid 102 and name HN ) (resid 102 and name HA1 ) 3.83  2.03  0
assign (resid 102 and name HN ) (resid 102 and name HA2 ) 3.80  2.00  0
assign (resid 102 and name HN ) (resid 103 and name HN ) 4.81  3.01  0
assign (resid 102 and name HA1 ) (resid 103 and name HN ) 4.60  2.80  0
assign (resid 102 and name HA2 ) (resid 103 and name HN ) 4.60  2.80  0
assign (resid 103 and name HN ) (resid 103 and name HA ) 4.20  2.40  0
assign (resid 103 and name HN ) (resid 103 and name HB* ) 4.92  3.12  0
assign (resid 103 and name HA ) (resid 104 and name HN ) 3.44  1.64  0
assign (resid 103 and name HB* ) (resid 104 and name HN ) 3.80  2.00  0
assign (resid 104 and name HN ) (resid 104 and name HA ) 4.44  2.64  0
assign (resid 104 and name HN ) (resid 104 and name HB* ) 3.80  2.00  0
assign (resid 104 and name HA ) (resid 104 and name HB* ) 4.70  2.90  0
assign (resid 104 and name HA ) (resid 105 and name HB* ) 5.49  3.69  0

! H-bond
assign  (resid  6  and  name  HN  )  (resid  2  and  name  O  )  1.8  0  0.5
assign  (resid  6  and  name  N  )  (resid  2  and  name  O  )  2.8  0  0.5
assign  (resid  7  and  name  HN  )  (resid  3  and  name  O  )  1.8  0  0.5
assign  (resid  7  and  name  N  )  (resid  3  and  name  O  )  2.8  0  0.5
assign  (resid  8  and  name  HN  )  (resid  4  and  name  O  )  1.8  0  0.5
assign  (resid  8  and  name  N  )  (resid  4  and  name  O  )  2.8  0  0.5
assign  (resid  9  and  name  HN  )  (resid  5  and  name  O  )  1.8  0  0.5
assign  (resid  9  and  name  N  )  (resid  5  and  name  O  )  2.8  0  0.5
assign  (resid  12  and  name  HN  )  (resid  37  and  name  O  )  1.8  0  0.5
assign  (resid  12  and  name  N  )  (resid  37  and  name  O  )  2.8  0  0.5
assign  (resid  37  and  name  HN  )  (resid  10  and  name  O  )  1.8  0  0.5
assign  (resid  37  and  name  N  )  (resid  10  and  name  O  )  2.8  0  0.5
assign  (resid  22  and  name  HN  )  (resid  18  and  name  O  )  1.8  0  0.5
assign  (resid  22  and  name  N  )  (resid  18  and  name  O  )  2.8  0  0.5
assign  (resid  23  and  name  HN  )  (resid  19  and  name  O  )  1.8  0  0.5
assign  (resid  23  and  name  N  )  (resid  19  and  name  O  )  2.8  0  0.5
assign  (resid  24  and  name  HN  )  (resid  20  and  name  O  )  1.8  0  0.5
assign  (resid  24  and  name  N  )  (resid  20  and  name  O  )  2.8  0  0.5
assign  (resid  25  and  name  HN  )  (resid  21  and  name  O  )  1.8  0  0.5
assign  (resid  25  and  name  N  )  (resid  21  and  name  O  )  2.8  0  0.5
assign  (resid  45  and  name  HN  )  (resid  41  and  name  O  )  1.8  0  0.5
assign  (resid  45  and  name  N  )  (resid  41  and  name  O  )  2.8  0  0.5
assign  (resid  46  and  name  HN  )  (resid  42  and  name  O  )  1.8  0  0.5
assign  (resid  46  and  name  N  )  (resid  42  and  name  O  )  2.8  0  0.5
assign  (resid  47  and  name  HN  )  (resid  43  and  name  O  )  1.8  0  0.5
assign  (resid  47  and  name  N  )  (resid  43  and  name  O  )  2.8  0  0.5
assign  (resid  57  and  name  HN  )  (resid  88  and  name  O  )  1.8  0  0.5
assign  (resid  57  and  name  N  )  (resid  88  and  name  O  )  2.8  0  0.5
assign  (resid  88  and  name  HN  )  (resid  57  and  name  O  )  1.8  0  0.5
assign  (resid  88  and  name  N  )  (resid  57  and  name  O  )  2.8  0  0.5
assign  (resid  59  and  name  HN  )  (resid  86  and  name  O  )  1.8  0  0.5
assign  (resid  59  and  name  N  )  (resid  86  and  name  O  )  2.8  0  0.5
assign  (resid  65  and  name  HN  )  (resid  82  and  name  O  )  1.8  0  0.5
assign  (resid  65  and  name  N  )  (resid  82  and  name  O  )  2.8  0  0.5
assign  (resid  67  and  name  HN  )  (resid  80  and  name  O  )  1.8  0  0.5
assign  (resid  67  and  name  N  )  (resid  80  and  name  O  )  2.8  0  0.5
assign  (resid  80  and  name  HN  )  (resid  67  and  name  O  )  1.8  0  0.5
assign  (resid  80  and  name  N  )  (resid  67  and  name  O  )  2.8  0  0.5
assign  (resid  78  and  name  HN  )  (resid  69  and  name  O  )  1.8  0  0.5
assign  (resid  78  and  name  N  )  (resid  69  and  name  O  )  2.8  0  0.5
assign  (resid  89  and  name  HN  )  (resid  97  and  name  O  )  1.8  0  0.5
assign  (resid  89  and  name  N  )  (resid  97  and  name  O  )  2.8  0  0.5
assign  (resid  97  and  name  HN  )  (resid  89  and  name  O  )  1.8  0  0.5
assign  (resid  97  and  name  N  )  (resid  89  and  name  O  )  2.8  0  0.5
assign  (resid  90  and  name  HN  )  (resid  55  and  name  O  )  1.8  0  0.5
assign  (resid  90  and  name  N  )  (resid  55  and  name  O  )  2.8  0  0.5
assign  (resid  34  and  name  HN  )  (resid  68  and  name  O  )  1.8  0  0.5
assign  (resid  34  and  name  N  )  (resid  68  and  name  O  )  2.8  0  0.5
assign  (resid  68  and  name  HN  )  (resid  34  and  name  O  )  1.8  0  0.5
assign  (resid  68  and  name  N  )  (resid  34  and  name  O  )  2.8  0  0.5
assign  (resid  36  and  name  HN  )  (resid  66  and  name  O  )  1.8  0  0.5
assign  (resid  36  and  name  N  )  (resid  66  and  name  O  )  2.8  0  0.5
assign  (resid  38  and  name  HN  )  (resid  64  and  name  O  )  1.8  0  0.5
assign  (resid  38  and  name  N  )  (resid  64  and  name  O  )  2.8  0  0.5
assign  (resid  55  and  name  HN  )  (resid  90  and  name  O  )  1.8  0  0.5
assign  (resid  55  and  name  N  )  (resid  90  and  name  O  )  2.8  0  0.5
assign  (resid  63  and  name  HN  )  (resid  84  and  name  O  )  1.8  0  0.5
assign  (resid  63  and  name  N  )  (resid  84  and  name  O  )  2.8  0  0.5
assign  (resid  84  and  name  HN  )  (resid  63  and  name  O  )  1.8  0  0.5
assign  (resid  84  and  name  N  )  (resid  63  and  name  O  )  2.8  0  0.5
assign  (resid  69  and  name  HN  )  (resid  78  and  name  O  )  1.8  0  0.5
assign  (resid  69  and  name  N  )  (resid  78  and  name  O  )  2.8  0  0.5



  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HN   PCA   1           H        PCA   1  -6.583   8.818   1.216
    2    HA   PCA   1           HA       PCA   1  -7.588  11.116   2.124
    3   1HB   PCA   1          1HB       PCA   1  -5.954  12.581   2.722
    4   2HB   PCA   1          2HB       PCA   1  -5.106  12.345   1.211
    5   1HG   PCA   1          1HG       PCA   1  -4.875  11.033   3.742
    6   2HG   PCA   1          2HG       PCA   1  -3.729  11.151   2.388
    7    H    ASP   2           H        ASP   2  -5.946   9.742  -0.550
    8    HA   ASP   2           HA       ASP   2  -7.885  10.829  -2.394
    9   1HB   ASP   2          2HB       ASP   2  -5.152  12.078  -2.219
   10   2HB   ASP   2          1HB       ASP   2  -5.934  11.936  -3.794
   11    H    TRP   3           H        TRP   3  -8.046   9.315  -4.003
   12    HA   TRP   3           HA       TRP   3  -6.607   6.932  -4.024
   13   1HB   TRP   3          2HB       TRP   3  -8.584   6.960  -5.305
   14   2HB   TRP   3          1HB       TRP   3  -8.093   8.401  -6.188
   15    HD1  TRP   3           HD       TRP   3  -7.960   7.612  -8.594
   16    HE1  TRP   3           1HE      TRP   3  -6.687   5.765  -9.857
   17    HE3  TRP   3           3HE      TRP   3  -5.980   5.010  -4.646
   18    HZ2  TRP   3           2HZ      TRP   3  -5.059   3.496  -9.285
   19    HZ3  TRP   3           3HZ      TRP   3  -4.580   3.015  -5.046
   20    HH2  TRP   3           HH       TRP   3  -4.116   2.251  -7.357
   21    H    GLU   4           H        GLU   4  -5.737  10.011  -5.473
   22    HA   GLU   4           HA       GLU   4  -3.640   9.077  -7.176
   23   1HB   GLU   4          2HB       GLU   4  -3.824  11.716  -5.686
   24   2HB   GLU   4          1HB       GLU   4  -2.794  11.384  -7.078
   25   1HG   GLU   4          2HG       GLU   4  -4.853  10.841  -8.402
   26   2HG   GLU   4          1HG       GLU   4  -5.824  11.355  -7.022
   27    H    THR   5           H        THR   5  -2.927  10.967  -4.235
   28    HA   THR   5           HA       THR   5  -0.346   9.945  -3.856
   29    HB   THR   5           HB       THR   5  -1.327  11.840  -2.569
   30    HG1  THR   5           1HG      THR   5   0.164  11.464  -1.158
   31   1HG2  THR   5          1HG2      THR   5  -3.475  10.464  -2.092
   32   2HG2  THR   5          2HG2      THR   5  -2.867  11.518  -0.818
   33   3HG2  THR   5          3HG2      THR   5  -2.558   9.783  -0.748
   34    H    PHE   6           H        PHE   6  -3.396   8.713  -2.457
   35    HA   PHE   6           HA       PHE   6  -2.375   6.555  -0.990
   36   1HB   PHE   6          2HB       PHE   6  -4.836   7.334  -1.319
   37   2HB   PHE   6          1HB       PHE   6  -4.834   6.262  -2.718
   38    HD1  PHE   6           1HD      PHE   6  -4.496   6.425   0.966
   39    HD2  PHE   6           2HD      PHE   6  -4.787   3.862  -2.469
   40    HE1  PHE   6           1HE      PHE   6  -4.881   4.477   2.450
   41    HE2  PHE   6           2HE      PHE   6  -5.170   1.914  -0.984
   42    HZ   PHE   6           HZ       PHE   6  -5.219   2.221   1.475
   43    H    GLN   7           H        GLN   7  -2.504   7.046  -4.426
   44    HA   GLN   7           HA       GLN   7  -1.890   4.212  -4.997
   45   1HB   GLN   7          2HB       GLN   7  -3.386   5.483  -6.523
   46   2HB   GLN   7          1HB       GLN   7  -2.064   6.593  -6.873
   47   1HG   GLN   7          2HG       GLN   7  -1.698   3.631  -7.265
   48   2HG   GLN   7          1HG       GLN   7  -2.496   4.602  -8.503
   49   1HE2  GLN   7          1HE2      GLN   7  -1.072   6.943  -8.579
   50   2HE2  GLN   7          2HE2      GLN   7   0.566   6.652  -8.922
   51    H    LYS   8           H        LYS   8  -0.286   7.218  -4.439
   52    HA   LYS   8           HA       LYS   8   2.197   6.362  -5.788
   53   1HB   LYS   8          2HB       LYS   8   1.729   8.804  -4.062
   54   2HB   LYS   8          1HB       LYS   8   3.036   8.550  -5.217
   55   1HG   LYS   8          2HG       LYS   8   0.195   8.375  -6.185
   56   2HG   LYS   8          1HG       LYS   8   0.903   9.963  -5.905
   57   1HD   LYS   8          2HD       LYS   8   2.750   9.448  -7.422
   58   2HD   LYS   8          1HD       LYS   8   2.135   7.810  -7.649
   59   1HE   LYS   8          2HE       LYS   8  -0.003   8.821  -8.527
   60   2HE   LYS   8          1HE       LYS   8   0.789  10.395  -8.475
   61   1HZ   LYS   8          1HZ       LYS   8   1.315   9.796 -10.579
   62   2HZ   LYS   8          2HZ       LYS   8   1.263   8.129 -10.252
   63   3HZ   LYS   8          3HZ       LYS   8   2.617   9.046  -9.791
   64    H    LYS   9           H        LYS   9   1.243   7.203  -2.426
   65    HA   LYS   9           HA       LYS   9   3.791   6.120  -1.437
   66   1HB   LYS   9          2HB       LYS   9   3.078   6.928   0.731
   67   2HB   LYS   9          1HB       LYS   9   2.741   8.173  -0.471
   68   1HG   LYS   9          2HG       LYS   9   0.387   7.097  -0.628
   69   2HG   LYS   9          1HG       LYS   9   0.801   6.310   0.895
   70   1HD   LYS   9          2HD       LYS   9   1.336   8.571   1.847
   71   2HD   LYS   9          1HD       LYS   9   0.727   9.292   0.357
   72   1HE   LYS   9          2HE       LYS   9  -1.445   8.051   0.762
   73   2HE   LYS   9          1HE       LYS   9  -0.820   7.625   2.356
   74   1HZ   LYS   9          1HZ       LYS   9  -0.541  10.413   1.748
   75   2HZ   LYS   9          2HZ       LYS   9  -1.205   9.663   3.120
   76   3HZ   LYS   9          3HZ       LYS   9  -2.159   9.904   1.735
   77    H    HIS  10           H        HIS  10   0.319   5.301  -0.960
   78    HA   HIS  10           HA       HIS  10   1.002   2.948   0.599
   79   1HB   HIS  10          2HB       HIS  10  -1.546   4.009  -0.597
   80   2HB   HIS  10          1HB       HIS  10  -1.494   2.394   0.104
   81    HD1  HIS  10           1HD      HIS  10  -0.218   2.461   2.640
   82    HD2  HIS  10           2HD      HIS  10  -2.188   5.888   1.309
   83    HE1  HIS  10           1HE      HIS  10  -0.675   3.871   4.696
   84    HE2  HIS  10           2HE      HIS  10  -1.873   5.958   3.897
   85    H    LEU  11           H        LEU  11   1.047   3.534  -2.769
   86    HA   LEU  11           HA       LEU  11   1.047   0.563  -3.243
   87   1HB   LEU  11          2HB       LEU  11  -0.391   2.744  -4.645
   88   2HB   LEU  11          1HB       LEU  11   0.407   1.585  -5.699
   89    HG   LEU  11           HG       LEU  11  -0.728  -0.255  -4.405
   90   1HD1  LEU  11          1HD1      LEU  11  -1.304   0.744  -2.340
   91   2HD1  LEU  11          2HD1      LEU  11  -2.843   0.602  -3.178
   92   3HD1  LEU  11          3HD1      LEU  11  -2.012   2.156  -3.115
   93   1HD2  LEU  11          1HD2      LEU  11  -2.322   1.834  -5.892
   94   2HD2  LEU  11          2HD2      LEU  11  -3.034   0.304  -5.379
   95   3HD2  LEU  11          3HD2      LEU  11  -1.678   0.312  -6.508
   96    H    THR  12           H        THR  12   2.466  -0.146  -4.959
   97    HA   THR  12           HA       THR  12   4.495   1.854  -5.843
   98    HB   THR  12           HB       THR  12   5.548   0.828  -3.930
   99    HG1  THR  12           1HG      THR  12   6.967   1.024  -5.577
  100   1HG2  THR  12          1HG2      THR  12   5.105  -1.281  -3.271
  101   2HG2  THR  12          2HG2      THR  12   5.651  -1.927  -4.814
  102   3HG2  THR  12          3HG2      THR  12   3.976  -1.416  -4.616
  103    H    ASP  13           H        ASP  13   6.152   0.137  -7.267
  104    HA   ASP  13           HA       ASP  13   4.235  -1.087  -9.224
  105   1HB   ASP  13          2HB       ASP  13   6.810   0.431  -9.697
  106   2HB   ASP  13          1HB       ASP  13   5.977  -0.489 -10.951
  107    H    THR  14           H        THR  14   6.006  -2.284  -6.928
  108    HA   THR  14           HA       THR  14   6.745  -4.643  -8.474
  109    HB   THR  14           HB       THR  14   8.686  -3.156  -8.915
  110    HG1  THR  14           1HG      THR  14   8.701  -5.596  -8.167
  111   1HG2  THR  14          1HG2      THR  14   9.135  -3.320  -5.926
  112   2HG2  THR  14          2HG2      THR  14   8.487  -1.902  -6.751
  113   3HG2  THR  14          3HG2      THR  14  10.126  -2.454  -7.099
  114    H    LYS  15           H        LYS  15   7.331  -6.433  -7.104
  115    HA   LYS  15           HA       LYS  15   6.128  -6.305  -4.460
  116   1HB   LYS  15          2HB       LYS  15   7.807  -8.506  -5.710
  117   2HB   LYS  15          1HB       LYS  15   6.759  -8.668  -4.301
  118   1HG   LYS  15          2HG       LYS  15   4.789  -8.233  -5.627
  119   2HG   LYS  15          1HG       LYS  15   5.770  -7.810  -7.032
  120   1HD   LYS  15          2HD       LYS  15   6.625 -10.096  -7.169
  121   2HD   LYS  15          1HD       LYS  15   5.740 -10.538  -5.708
  122   1HE   LYS  15          2HE       LYS  15   3.625  -9.779  -6.963
  123   2HE   LYS  15          1HE       LYS  15   4.622  -9.810  -8.418
  124   1HZ   LYS  15          1HZ       LYS  15   4.854 -12.061  -8.329
  125   2HZ   LYS  15          2HZ       LYS  15   3.306 -11.914  -7.644
  126   3HZ   LYS  15          3HZ       LYS  15   4.662 -12.142  -6.646
  127    H    LYS  16           H        LYS  16   9.297  -5.870  -5.762
  128    HA   LYS  16           HA       LYS  16  10.454  -5.886  -2.997
  129   1HB   LYS  16          2HB       LYS  16  12.058  -6.087  -5.549
  130   2HB   LYS  16          1HB       LYS  16  12.547  -6.519  -3.912
  131   1HG   LYS  16          2HG       LYS  16  12.064  -8.638  -4.672
  132   2HG   LYS  16          1HG       LYS  16  10.441  -8.182  -4.158
  133   1HD   LYS  16          2HD       LYS  16  10.028  -8.927  -6.328
  134   2HD   LYS  16          1HD       LYS  16  10.260  -7.201  -6.605
  135   1HE   LYS  16          2HE       LYS  16  12.760  -7.801  -6.948
  136   2HE   LYS  16          1HE       LYS  16  12.191  -9.461  -7.120
  137   1HZ   LYS  16          1HZ       LYS  16  12.371  -8.123  -9.226
  138   2HZ   LYS  16          2HZ       LYS  16  11.046  -7.214  -8.672
  139   3HZ   LYS  16          3HZ       LYS  16  10.876  -8.880  -8.960
  140    H    VAL  17           H        VAL  17   9.272  -3.628  -3.245
  141    HA   VAL  17           HA       VAL  17  10.226  -1.570  -4.893
  142    HB   VAL  17           HB       VAL  17   9.565  -0.007  -3.104
  143   1HG1  VAL  17          1HG1      VAL  17   7.280  -0.540  -3.146
  144   2HG1  VAL  17          2HG1      VAL  17   7.594  -2.272  -3.084
  145   3HG1  VAL  17          3HG1      VAL  17   7.915  -1.376  -4.563
  146   1HG2  VAL  17          1HG2      VAL  17  10.406  -1.075  -1.137
  147   2HG2  VAL  17          2HG2      VAL  17   9.511  -2.557  -1.474
  148   3HG2  VAL  17          3HG2      VAL  17   8.650  -1.100  -0.977
  149    H    LYS  18           H        LYS  18  11.592   0.300  -4.131
  150    HA   LYS  18           HA       LYS  18  14.126  -0.789  -3.030
  151   1HB   LYS  18          2HB       LYS  18  15.010   1.495  -3.840
  152   2HB   LYS  18          1HB       LYS  18  14.517   0.350  -5.088
  153   1HG   LYS  18          2HG       LYS  18  12.372   1.451  -5.340
  154   2HG   LYS  18          1HG       LYS  18  12.704   2.503  -3.965
  155   1HD   LYS  18          2HD       LYS  18  13.228   3.879  -5.793
  156   2HD   LYS  18          1HD       LYS  18  14.805   3.235  -5.337
  157   1HE   LYS  18          2HE       LYS  18  14.425   3.110  -7.790
  158   2HE   LYS  18          1HE       LYS  18  14.633   1.512  -7.074
  159   1HZ   LYS  18          1HZ       LYS  18  12.394   1.045  -7.255
  160   2HZ   LYS  18          2HZ       LYS  18  12.690   1.911  -8.687
  161   3HZ   LYS  18          3HZ       LYS  18  11.942   2.676  -7.367
  162    H    CYS  19           H        CYS  19  12.680  -0.739  -0.972
  163    HA   CYS  19           HA       CYS  19  11.690   1.314   0.443
  164   1HB   CYS  19          2HB       CYS  19  13.664  -0.770   1.373
  165   2HB   CYS  19          1HB       CYS  19  12.913   0.363   2.496
  166    H    ASP  20           H        ASP  20  15.191   0.854  -0.052
  167    HA   ASP  20           HA       ASP  20  16.243   2.845   1.579
  168   1HB   ASP  20          2HB       ASP  20  17.688   1.413   0.248
  169   2HB   ASP  20          1HB       ASP  20  17.066   2.114  -1.246
  170    H    VAL  21           H        VAL  21  14.743   3.251  -1.614
  171    HA   VAL  21           HA       VAL  21  14.956   6.209  -1.293
  172    HB   VAL  21           HB       VAL  21  13.903   4.807  -3.740
  173   1HG1  VAL  21          1HG1      VAL  21  13.710   7.248  -3.622
  174   2HG1  VAL  21          2HG1      VAL  21  14.902   6.798  -4.840
  175   3HG1  VAL  21          3HG1      VAL  21  15.432   7.382  -3.263
  176   1HG2  VAL  21          1HG2      VAL  21  16.790   5.163  -2.900
  177   2HG2  VAL  21          2HG2      VAL  21  16.304   4.886  -4.573
  178   3HG2  VAL  21          3HG2      VAL  21  15.979   3.662  -3.346
  179    H    GLU  22           H        GLU  22  12.673   3.543  -1.449
  180    HA   GLU  22           HA       GLU  22  10.287   5.051  -1.871
  181   1HB   GLU  22          2HB       GLU  22  10.891   2.374  -1.464
  182   2HB   GLU  22          1HB       GLU  22   9.996   2.793  -0.004
  183   1HG   GLU  22          2HG       GLU  22   8.384   2.067  -1.639
  184   2HG   GLU  22          1HG       GLU  22   8.228   3.820  -1.500
  185    H    MET  23           H        MET  23  12.512   5.183   0.611
  186    HA   MET  23           HA       MET  23  10.528   6.504   2.425
  187   1HB   MET  23          2HB       MET  23  12.901   4.807   3.261
  188   2HB   MET  23          1HB       MET  23  11.795   5.645   4.349
  189   1HG   MET  23          2HG       MET  23   9.912   4.312   3.311
  190   2HG   MET  23          1HG       MET  23  11.136   3.368   2.466
  191   1HE   MET  23          1HE       MET  23   9.833   4.791   5.562
  192   2HE   MET  23          2HE       MET  23  11.359   4.705   6.435
  193   3HE   MET  23          3HE       MET  23  10.056   3.594   6.844
  194    H    ALA  24           H        ALA  24  13.931   6.260   1.397
  195    HA   ALA  24           HA       ALA  24  14.652   8.742   2.759
  196   1HB   ALA  24          1HB       ALA  24  16.219   6.774   2.190
  197   2HB   ALA  24          2HB       ALA  24  16.831   8.400   1.892
  198   3HB   ALA  24          3HB       ALA  24  16.235   7.425   0.550
  199    H    LYS  25           H        LYS  25  12.789   8.178   0.100
  200    HA   LYS  25           HA       LYS  25  13.817   9.986  -1.838
  201   1HB   LYS  25          2HB       LYS  25  11.304  10.191  -2.499
  202   2HB   LYS  25          1HB       LYS  25  12.100   8.633  -2.650
  203   1HG   LYS  25          2HG       LYS  25  11.222   8.246  -0.200
  204   2HG   LYS  25          1HG       LYS  25  10.096   9.538  -0.599
  205   1HD   LYS  25          2HD       LYS  25  10.480   7.184  -2.451
  206   2HD   LYS  25          1HD       LYS  25   9.364   7.093  -1.092
  207   1HE   LYS  25          2HE       LYS  25   8.326   9.252  -1.979
  208   2HE   LYS  25          1HE       LYS  25   9.280   8.999  -3.438
  209   1HZ   LYS  25          1HZ       LYS  25   8.195   6.965  -3.853
  210   2HZ   LYS  25          2HZ       LYS  25   6.967   8.075  -3.477
  211   3HZ   LYS  25          3HZ       LYS  25   7.470   6.938  -2.321
  212    H    ALA  26           H        ALA  26  10.975  11.498  -1.609
  213    HA   ALA  26           HA       ALA  26  12.060  13.607   0.227
  214   1HB   ALA  26          1HB       ALA  26  10.350  14.028  -2.235
  215   2HB   ALA  26          2HB       ALA  26  12.105  14.200  -2.203
  216   3HB   ALA  26          3HB       ALA  26  11.096  15.277  -1.238
  217    H    LEU  27           H        LEU  27   9.136  11.897  -0.840
  218    HA   LEU  27           HA       LEU  27   7.414  13.558   0.836
  219   1HB   LEU  27          2HB       LEU  27   5.633  12.397  -0.078
  220   2HB   LEU  27          1HB       LEU  27   6.845  12.152  -1.328
  221    HG   LEU  27           HG       LEU  27   7.460   9.998   0.043
  222   1HD1  LEU  27          1HD1      LEU  27   4.865   9.319   0.828
  223   2HD1  LEU  27          2HD1      LEU  27   5.064  10.959   1.434
  224   3HD1  LEU  27          3HD1      LEU  27   6.204   9.702   1.904
  225   1HD2  LEU  27          1HD2      LEU  27   6.290  10.231  -2.256
  226   2HD2  LEU  27          2HD2      LEU  27   4.790   9.951  -1.374
  227   3HD2  LEU  27          3HD2      LEU  27   6.052   8.720  -1.379
  228    H    PHE  28           H        PHE  28   9.596  11.136   1.574
  229    HA   PHE  28           HA       PHE  28   8.046  10.371   4.027
  230   1HB   PHE  28          2HB       PHE  28  10.010   8.863   2.324
  231   2HB   PHE  28          1HB       PHE  28   9.845   8.453   4.028
  232    HD1  PHE  28           1HD      PHE  28   7.445   8.025   4.919
  233    HD2  PHE  28           2HD      PHE  28   8.481   8.019   0.753
  234    HE1  PHE  28           1HE      PHE  28   5.390   6.733   4.410
  235    HE2  PHE  28           2HE      PHE  28   6.428   6.725   0.242
  236    HZ   PHE  28           HZ       PHE  28   4.881   6.083   2.071
  237    H    ASP  29           H        ASP  29  11.402  10.871   2.878
  238    HA   ASP  29           HA       ASP  29  13.078  12.206   3.892
  239   1HB   ASP  29          2HB       ASP  29  10.981  13.301   5.111
  240   2HB   ASP  29          1HB       ASP  29  11.585  12.377   6.487
  241    H    CYS  30           H        CYS  30  12.911   9.356   3.900
  242    HA   CYS  30           HA       CYS  30  13.911   7.494   4.911
  243   1HB   CYS  30          2HB       CYS  30  15.914   8.866   4.709
  244   2HB   CYS  30          1HB       CYS  30  15.520   9.717   6.200
  245    H    LYS  31           H        LYS  31  11.699   7.357   6.092
  246    HA   LYS  31           HA       LYS  31  11.686   8.123   8.912
  247   1HB   LYS  31          2HB       LYS  31   9.863   6.126   7.548
  248   2HB   LYS  31          1HB       LYS  31   9.535   7.039   9.013
  249   1HG   LYS  31          2HG       LYS  31   9.893   8.207   6.241
  250   2HG   LYS  31          1HG       LYS  31   8.357   8.013   7.078
  251   1HD   LYS  31          2HD       LYS  31  10.663   9.809   7.875
  252   2HD   LYS  31          1HD       LYS  31   9.059  10.302   7.344
  253   1HE   LYS  31          2HE       LYS  31   8.225   8.893   9.389
  254   2HE   LYS  31          1HE       LYS  31   9.878   9.094   9.971
  255   1HZ   LYS  31          1HZ       LYS  31   7.921  10.868  10.366
  256   2HZ   LYS  31          2HZ       LYS  31   8.629  11.498   8.956
  257   3HZ   LYS  31          3HZ       LYS  31   9.570  11.265  10.351
  258    H    LYS  32           H        LYS  32  10.367   5.221   9.181
  259    HA   LYS  32           HA       LYS  32  12.887   3.678   9.511
  260   1HB   LYS  32          2HB       LYS  32  10.978   4.486  11.693
  261   2HB   LYS  32          1HB       LYS  32  11.841   2.951  11.812
  262   1HG   LYS  32          2HG       LYS  32  13.970   4.032  11.746
  263   2HG   LYS  32          1HG       LYS  32  13.251   5.569  11.265
  264   1HD   LYS  32          2HD       LYS  32  13.857   5.529  13.681
  265   2HD   LYS  32          1HD       LYS  32  12.127   5.758  13.429
  266   1HE   LYS  32          2HE       LYS  32  11.617   3.544  14.055
  267   2HE   LYS  32          1HE       LYS  32  13.276   2.996  13.810
  268   1HZ   LYS  32          1HZ       LYS  32  12.073   4.239  16.110
  269   2HZ   LYS  32          2HZ       LYS  32  13.558   4.935  15.663
  270   3HZ   LYS  32          3HZ       LYS  32  13.462   3.272  16.002
  271    H    THR  33           H        THR  33   9.363   3.761   9.378
  272    HA   THR  33           HA       THR  33   9.415   0.897   8.510
  273    HB   THR  33           HB       THR  33   8.511   0.981  10.789
  274    HG1  THR  33           1HG      THR  33   6.569   0.678   8.748
  275   1HG2  THR  33          1HG2      THR  33   6.613   2.352  11.365
  276   2HG2  THR  33          2HG2      THR  33   6.426   2.884   9.694
  277   3HG2  THR  33          3HG2      THR  33   7.825   3.403  10.633
  278    H    ASN  34           H        ASN  34   7.979   0.421   6.796
  279    HA   ASN  34           HA       ASN  34   6.125   2.504   5.851
  280   1HB   ASN  34          2HB       ASN  34   8.485   2.999   4.934
  281   2HB   ASN  34          1HB       ASN  34   8.269   1.551   3.953
  282   1HD2  ASN  34          1HD2      ASN  34   8.150   4.711   3.475
  283   2HD2  ASN  34          2HD2      ASN  34   6.794   4.857   2.464
  284    H    THR  35           H        THR  35   4.601   1.678   4.362
  285    HA   THR  35           HA       THR  35   4.847  -1.192   3.611
  286    HB   THR  35           HB       THR  35   2.403   0.025   4.937
  287    HG1  THR  35           1HG      THR  35   3.329  -2.031   6.260
  288   1HG2  THR  35          1HG2      THR  35   1.650  -2.379   4.935
  289   2HG2  THR  35          2HG2      THR  35   3.026  -2.750   3.896
  290   3HG2  THR  35          3HG2      THR  35   1.762  -1.659   3.329
  291    H    PHE  36           H        PHE  36   3.585  -1.742   1.750
  292    HA   PHE  36           HA       PHE  36   2.019   0.400   0.443
  293   1HB   PHE  36          2HB       PHE  36   4.036  -0.827  -1.367
  294   2HB   PHE  36          1HB       PHE  36   3.379   0.801  -1.370
  295    HD1  PHE  36           1HD      PHE  36   5.512  -1.396   0.795
  296    HD2  PHE  36           2HD      PHE  36   4.808   2.536  -0.763
  297    HE1  PHE  36           1HE      PHE  36   7.572  -0.593   1.904
  298    HE2  PHE  36           2HE      PHE  36   6.868   3.347   0.350
  299    HZ   PHE  36           HZ       PHE  36   8.255   1.780   1.676
  300    H    ILE  37           H        ILE  37   1.289  -0.620  -1.855
  301    HA   ILE  37           HA       ILE  37   0.710  -3.519  -1.373
  302    HB   ILE  37           HB       ILE  37  -1.162  -1.512  -2.639
  303   1HG1  ILE  37          2HG1      ILE  37  -1.625  -2.766   0.058
  304   2HG1  ILE  37          1HG1      ILE  37  -0.596  -1.343  -0.053
  305   1HG2  ILE  37          1HG2      ILE  37  -1.421  -4.405  -1.801
  306   2HG2  ILE  37          2HG2      ILE  37  -1.600  -3.736  -3.422
  307   3HG2  ILE  37          3HG2      ILE  37  -2.809  -3.388  -2.186
  308   1HD1  ILE  37          1HD1      ILE  37  -3.340  -1.287   0.169
  309   2HD1  ILE  37          2HD1      ILE  37  -3.109  -1.078  -1.565
  310   3HD1  ILE  37          3HD1      ILE  37  -2.348   0.040  -0.431
  311    H    TYR  38           H        TYR  38   1.113  -4.858  -3.072
  312    HA   TYR  38           HA       TYR  38   2.181  -3.596  -5.545
  313   1HB   TYR  38          2HB       TYR  38   3.522  -5.390  -4.556
  314   2HB   TYR  38          1HB       TYR  38   2.142  -6.484  -4.618
  315    HD1  TYR  38           1HD      TYR  38   3.979  -4.165  -6.931
  316    HD2  TYR  38           2HD      TYR  38   2.069  -7.977  -6.404
  317    HE1  TYR  38           1HE      TYR  38   4.562  -4.780  -9.262
  318    HE2  TYR  38           2HE      TYR  38   2.654  -8.591  -8.735
  319    HH   TYR  38           HH       TYR  38   3.183  -6.974 -10.983
  320    H    ALA  39           H        ALA  39   0.373  -2.959  -6.738
  321    HA   ALA  39           HA       ALA  39  -1.175  -5.127  -7.972
  322   1HB   ALA  39          1HB       ALA  39  -2.379  -4.480  -5.804
  323   2HB   ALA  39          2HB       ALA  39  -3.341  -4.401  -7.279
  324   3HB   ALA  39          3HB       ALA  39  -2.697  -2.922  -6.567
  325    H    LEU  40           H        LEU  40  -2.398  -4.338  -9.847
  326    HA   LEU  40           HA       LEU  40  -1.102  -1.972 -11.019
  327   1HB   LEU  40          2HB       LEU  40  -1.598  -2.875 -13.071
  328   2HB   LEU  40          1HB       LEU  40  -1.637  -4.344 -12.104
  329    HG   LEU  40           HG       LEU  40  -4.203  -3.629 -11.799
  330   1HD1  LEU  40          1HD1      LEU  40  -5.091  -2.453 -13.636
  331   2HD1  LEU  40          2HD1      LEU  40  -3.637  -2.678 -14.604
  332   3HD1  LEU  40          3HD1      LEU  40  -3.630  -1.549 -13.253
  333   1HD2  LEU  40          1HD2      LEU  40  -3.510  -5.764 -12.719
  334   2HD2  LEU  40          2HD2      LEU  40  -2.974  -4.995 -14.212
  335   3HD2  LEU  40          3HD2      LEU  40  -4.692  -5.053 -13.818
  336    HA   PRO  41           HA       PRO  41  -4.145   1.077 -10.102
  337   1HB   PRO  41          2HB       PRO  41  -4.255   1.632 -13.031
  338   2HB   PRO  41          1HB       PRO  41  -3.959   2.742 -11.681
  339   1HG   PRO  41          2HG       PRO  41  -2.012   1.812 -13.324
  340   2HG   PRO  41          1HG       PRO  41  -1.735   2.314 -11.650
  341   1HD   PRO  41          2HD       PRO  41  -1.647  -0.389 -12.798
  342   2HD   PRO  41          1HD       PRO  41  -1.040   0.188 -11.232
  343    H    GLY  42           H        GLY  42  -4.951  -0.419 -13.262
  344   1HA   GLY  42          2HA       GLY  42  -7.727  -0.023 -13.159
  345   2HA   GLY  42          1HA       GLY  42  -6.976  -1.371 -14.007
  346    H    ARG  43           H        ARG  43  -5.940  -2.888 -11.981
  347    HA   ARG  43           HA       ARG  43  -8.223  -4.250 -10.956
  348   1HB   ARG  43          2HB       ARG  43  -5.972  -5.285 -11.326
  349   2HB   ARG  43          1HB       ARG  43  -5.382  -4.404  -9.916
  350   1HG   ARG  43          2HG       ARG  43  -6.857  -5.569  -8.446
  351   2HG   ARG  43          1HG       ARG  43  -7.791  -6.226  -9.790
  352   1HD   ARG  43          2HD       ARG  43  -6.326  -7.968  -8.932
  353   2HD   ARG  43          1HD       ARG  43  -5.757  -7.482 -10.529
  354    HE   ARG  43           HE       ARG  43  -4.274  -5.875  -8.888
  355   1HH1  ARG  43          1HH2      ARG  43  -5.046  -9.235  -8.898
  356   2HH1  ARG  43          2HH2      ARG  43  -3.557  -9.714  -8.154
  357   1HH2  ARG  43          1HH1      ARG  43  -2.326  -6.482  -7.917
  358   2HH2  ARG  43          2HH1      ARG  43  -2.017  -8.156  -7.599
  359    H    VAL  44           H        VAL  44  -6.243  -1.667  -9.631
  360    HA   VAL  44           HA       VAL  44  -7.221  -1.981  -6.908
  361    HB   VAL  44           HB       VAL  44  -5.852   0.346  -8.288
  362   1HG1  VAL  44          1HG1      VAL  44  -6.649  -0.151  -5.416
  363   2HG1  VAL  44          2HG1      VAL  44  -6.976   1.269  -6.409
  364   3HG1  VAL  44          3HG1      VAL  44  -5.338   0.950  -5.838
  365   1HG2  VAL  44          1HG2      VAL  44  -4.674  -1.956  -7.958
  366   2HG2  VAL  44          2HG2      VAL  44  -4.665  -1.534  -6.247
  367   3HG2  VAL  44          3HG2      VAL  44  -3.833  -0.505  -7.414
  368    H    LYS  45           H        LYS  45  -7.800   0.552  -9.381
  369    HA   LYS  45           HA       LYS  45 -10.004   1.720  -7.943
  370   1HB   LYS  45          2HB       LYS  45 -10.455   2.942 -10.008
  371   2HB   LYS  45          1HB       LYS  45  -8.712   2.893  -9.736
  372   1HG   LYS  45          2HG       LYS  45  -8.715   0.782 -11.209
  373   2HG   LYS  45          1HG       LYS  45 -10.342   1.266 -11.689
  374   1HD   LYS  45          2HD       LYS  45  -7.821   2.925 -11.987
  375   2HD   LYS  45          1HD       LYS  45  -8.719   2.149 -13.292
  376   1HE   LYS  45          2HE       LYS  45  -9.576   4.465 -11.555
  377   2HE   LYS  45          1HE       LYS  45  -9.468   4.399 -13.314
  378   1HZ   LYS  45          1HZ       LYS  45 -11.710   4.139 -12.934
  379   2HZ   LYS  45          2HZ       LYS  45 -11.486   3.203 -11.534
  380   3HZ   LYS  45          3HZ       LYS  45 -11.198   2.528 -13.067
  381    H    ALA  46           H        ALA  46  -9.692  -1.069  -9.931
  382    HA   ALA  46           HA       ALA  46 -12.476  -1.248 -10.747
  383   1HB   ALA  46          1HB       ALA  46 -10.201  -3.244 -10.670
  384   2HB   ALA  46          2HB       ALA  46 -10.844  -2.409 -12.083
  385   3HB   ALA  46          3HB       ALA  46 -11.804  -3.646 -11.275
  386    H    LEU  47           H        LEU  47 -10.521  -2.568  -8.094
  387    HA   LEU  47           HA       LEU  47 -12.610  -4.265  -7.050
  388   1HB   LEU  47          2HB       LEU  47 -10.104  -3.097  -5.820
  389   2HB   LEU  47          1HB       LEU  47 -11.180  -4.182  -4.941
  390    HG   LEU  47           HG       LEU  47 -10.142  -4.969  -7.658
  391   1HD1  LEU  47          1HD1      LEU  47  -8.225  -6.065  -6.577
  392   2HD1  LEU  47          2HD1      LEU  47  -8.709  -5.395  -5.019
  393   3HD1  LEU  47          3HD1      LEU  47  -8.168  -4.323  -6.310
  394   1HD2  LEU  47          1HD2      LEU  47 -11.866  -6.392  -6.745
  395   2HD2  LEU  47          2HD2      LEU  47 -11.068  -6.443  -5.173
  396   3HD2  LEU  47          3HD2      LEU  47 -10.336  -7.247  -6.559
  397    H    CYS  48           H        CYS  48 -12.544  -0.974  -7.301
  398    HA   CYS  48           HA       CYS  48 -14.059  -0.581  -4.746
  399   1HB   CYS  48          2HB       CYS  48 -12.197   1.130  -6.310
  400   2HB   CYS  48          1HB       CYS  48 -13.592   1.947  -5.615
  401    H    LYS  49           H        LYS  49 -14.280  -0.681  -8.164
  402    HA   LYS  49           HA       LYS  49 -16.456   1.113  -8.595
  403   1HB   LYS  49          2HB       LYS  49 -16.619   0.153 -10.727
  404   2HB   LYS  49          1HB       LYS  49 -14.939  -0.161 -10.297
  405   1HG   LYS  49          2HG       LYS  49 -15.772  -2.411  -9.367
  406   2HG   LYS  49          1HG       LYS  49 -17.267  -2.086 -10.245
  407   1HD   LYS  49          2HD       LYS  49 -16.028  -1.899 -12.347
  408   2HD   LYS  49          1HD       LYS  49 -14.504  -2.140 -11.493
  409   1HE   LYS  49          2HE       LYS  49 -15.503  -4.209 -12.628
  410   2HE   LYS  49          1HE       LYS  49 -15.055  -4.389 -10.932
  411   1HZ   LYS  49          1HZ       LYS  49 -17.239  -5.298 -11.318
  412   2HZ   LYS  49          2HZ       LYS  49 -17.777  -3.828 -11.979
  413   3HZ   LYS  49          3HZ       LYS  49 -17.364  -3.923 -10.333
  414    H    ASN  50           H        ASN  50 -18.720   0.677  -8.748
  415    HA   ASN  50           HA       ASN  50 -20.741  -0.410  -8.245
  416   1HB   ASN  50          2HB       ASN  50 -19.251  -2.480  -9.024
  417   2HB   ASN  50          1HB       ASN  50 -19.334  -2.885  -7.310
  418   1HD2  ASN  50          1HD2      ASN  50 -20.865  -4.590  -7.349
  419   2HD2  ASN  50          2HD2      ASN  50 -22.444  -4.423  -7.950
  420    H    ILE  51           H        ILE  51 -18.157   0.042  -6.084
  421    HA   ILE  51           HA       ILE  51 -19.540  -0.871  -3.684
  422    HB   ILE  51           HB       ILE  51 -17.159   0.976  -4.004
  423   1HG1  ILE  51          2HG1      ILE  51 -16.714  -1.254  -4.907
  424   2HG1  ILE  51          1HG1      ILE  51 -15.860  -1.060  -3.377
  425   1HG2  ILE  51          1HG2      ILE  51 -17.926   1.390  -1.832
  426   2HG2  ILE  51          2HG2      ILE  51 -16.771   0.082  -1.584
  427   3HG2  ILE  51          3HG2      ILE  51 -18.500  -0.265  -1.616
  428   1HD1  ILE  51          1HD1      ILE  51 -18.258  -2.743  -4.009
  429   2HD1  ILE  51          2HD1      ILE  51 -18.083  -2.109  -2.374
  430   3HD1  ILE  51          3HD1      ILE  51 -16.832  -3.144  -3.057
  431    H    ARG  52           H        ARG  52 -19.833   0.829  -1.869
  432    HA   ARG  52           HA       ARG  52 -21.545   2.985  -2.989
  433   1HB   ARG  52          2HB       ARG  52 -21.275   1.786  -0.222
  434   2HB   ARG  52          1HB       ARG  52 -22.273   3.200  -0.563
  435   1HG   ARG  52          2HG       ARG  52 -23.649   1.172  -0.640
  436   2HG   ARG  52          1HG       ARG  52 -23.533   1.883  -2.250
  437   1HD   ARG  52          2HD       ARG  52 -22.132   0.200  -3.042
  438   2HD   ARG  52          1HD       ARG  52 -21.522  -0.193  -1.435
  439    HE   ARG  52           HE       ARG  52 -23.287  -1.733  -1.239
  440   1HH1  ARG  52          1HH2      ARG  52 -23.979   0.711  -3.569
  441   2HH1  ARG  52          2HH2      ARG  52 -25.480   0.002  -4.063
  442   1HH2  ARG  52          1HH1      ARG  52 -25.243  -2.674  -1.870
  443   2HH2  ARG  52          2HH1      ARG  52 -26.196  -1.914  -3.101
  444    H    ASP  53           H        ASP  53 -21.471   4.797  -0.880
  445    HA   ASP  53           HA       ASP  53 -19.185   6.387  -1.492
  446   1HB   ASP  53          2HB       ASP  53 -19.929   7.845   0.282
  447   2HB   ASP  53          1HB       ASP  53 -21.361   7.224  -0.542
  448    H    ASN  54           H        ASN  54 -18.581   7.148   1.254
  449    HA   ASN  54           HA       ASN  54 -16.222   5.583   1.632
  450   1HB   ASN  54          2HB       ASN  54 -17.477   7.135   3.882
  451   2HB   ASN  54          1HB       ASN  54 -15.771   6.970   3.461
  452   1HD2  ASN  54          1HD2      ASN  54 -16.882   9.554   3.829
  453   2HD2  ASN  54          2HD2      ASN  54 -16.947  10.347   2.330
  454    H    THR  55           H        THR  55 -16.223   3.505   2.254
  455    HA   THR  55           HA       THR  55 -17.723   2.720   4.672
  456    HB   THR  55           HB       THR  55 -17.939   0.823   2.371
  457    HG1  THR  55           1HG      THR  55 -19.614   3.084   2.710
  458   1HG2  THR  55          1HG2      THR  55 -19.921   1.655   4.501
  459   2HG2  THR  55          2HG2      THR  55 -18.751   0.353   4.706
  460   3HG2  THR  55          3HG2      THR  55 -20.003   0.225   3.472
  461    H    ASP  56           H        ASP  56 -16.948   0.553   5.443
  462    HA   ASP  56           HA       ASP  56 -14.053   0.312   4.916
  463   1HB   ASP  56          2HB       ASP  56 -15.740  -1.267   6.873
  464   2HB   ASP  56          1HB       ASP  56 -13.987  -1.065   6.890
  465    H    VAL  57           H        VAL  57 -13.376  -1.048   3.344
  466    HA   VAL  57           HA       VAL  57 -15.016  -3.490   2.775
  467    HB   VAL  57           HB       VAL  57 -13.856  -3.439   0.531
  468   1HG1  VAL  57          1HG1      VAL  57 -15.207  -1.466  -0.293
  469   2HG1  VAL  57          2HG1      VAL  57 -15.566  -1.090   1.392
  470   3HG1  VAL  57          3HG1      VAL  57 -16.117  -2.612   0.692
  471   1HG2  VAL  57          1HG2      VAL  57 -12.625  -1.514  -0.140
  472   2HG2  VAL  57          2HG2      VAL  57 -11.987  -1.930   1.449
  473   3HG2  VAL  57          3HG2      VAL  57 -13.132  -0.600   1.281
  474    H    LEU  58           H        LEU  58 -13.410  -5.214   1.674
  475    HA   LEU  58           HA       LEU  58 -10.742  -5.261   2.900
  476   1HB   LEU  58          2HB       LEU  58 -12.080  -5.969   4.798
  477   2HB   LEU  58          1HB       LEU  58 -12.966  -7.117   3.801
  478    HG   LEU  58           HG       LEU  58 -11.011  -8.505   3.531
  479   1HD1  LEU  58          1HD1      LEU  58  -9.602  -6.176   4.817
  480   2HD1  LEU  58          2HD1      LEU  58  -9.227  -6.955   3.286
  481   3HD1  LEU  58          3HD1      LEU  58  -8.887  -7.780   4.799
  482   1HD2  LEU  58          1HD2      LEU  58 -10.977  -7.581   6.408
  483   2HD2  LEU  58          2HD2      LEU  58 -10.673  -9.204   5.789
  484   3HD2  LEU  58          3HD2      LEU  58 -12.302  -8.530   5.734
  485    H    SER  59           H        SER  59  -9.376  -6.685   1.750
  486    HA   SER  59           HA       SER  59 -10.161  -7.537  -0.821
  487   1HB   SER  59          2HB       SER  59  -7.866  -7.554  -0.657
  488   2HB   SER  59          1HB       SER  59  -7.884  -8.160   0.993
  489    HG   SER  59           HG       SER  59  -7.263  -9.888  -0.147
  490    H    ARG  60           H        ARG  60 -10.605  -9.688  -1.652
  491    HA   ARG  60           HA       ARG  60 -12.295 -11.229   0.218
  492   1HB   ARG  60          2HB       ARG  60 -11.835 -11.719  -2.734
  493   2HB   ARG  60          1HB       ARG  60 -13.166 -12.319  -1.744
  494   1HG   ARG  60          2HG       ARG  60 -13.982 -10.041  -1.398
  495   2HG   ARG  60          1HG       ARG  60 -12.609  -9.388  -2.292
  496   1HD   ARG  60          2HD       ARG  60 -13.403 -10.855  -4.251
  497   2HD   ARG  60          1HD       ARG  60 -14.906 -11.041  -3.347
  498    HE   ARG  60           HE       ARG  60 -14.588  -8.321  -3.380
  499   1HH1  ARG  60          1HH2      ARG  60 -14.399 -10.803  -5.766
  500   2HH1  ARG  60          2HH2      ARG  60 -14.937  -9.784  -7.059
  501   1HH2  ARG  60          1HH1      ARG  60 -15.291  -6.977  -5.055
  502   2HH2  ARG  60          2HH1      ARG  60 -15.443  -7.618  -6.657
  503    H    ASP  61           H        ASP  61  -9.086 -11.290  -0.374
  504    HA   ASP  61           HA       ASP  61  -8.873 -14.080   0.478
  505   1HB   ASP  61          2HB       ASP  61  -8.022 -13.213  -2.289
  506   2HB   ASP  61          1HB       ASP  61  -7.300 -14.609  -1.489
  507    H    ALA  62           H        ALA  62  -6.314 -12.642  -1.396
  508    HA   ALA  62           HA       ALA  62  -5.031 -11.544   1.033
  509   1HB   ALA  62          1HB       ALA  62  -3.139 -12.951   0.969
  510   2HB   ALA  62          2HB       ALA  62  -3.513 -13.530  -0.653
  511   3HB   ALA  62          3HB       ALA  62  -4.486 -14.060   0.719
  512    H    PHE  63           H        PHE  63  -2.917 -10.455   0.434
  513    HA   PHE  63           HA       PHE  63  -2.675  -9.717  -2.420
  514   1HB   PHE  63          2HB       PHE  63  -3.631  -7.894  -0.247
  515   2HB   PHE  63          1HB       PHE  63  -2.518  -7.224  -1.438
  516    HD1  PHE  63           1HD      PHE  63  -5.784  -8.958  -1.020
  517    HD2  PHE  63           2HD      PHE  63  -3.216  -6.762  -3.673
  518    HE1  PHE  63           1HE      PHE  63  -7.643  -8.753  -2.649
  519    HE2  PHE  63           2HE      PHE  63  -5.075  -6.556  -5.301
  520    HZ   PHE  63           HZ       PHE  63  -7.289  -7.552  -4.790
  521    H    LEU  64           H        LEU  64  -0.549  -9.530  -2.923
  522    HA   LEU  64           HA       LEU  64   1.451  -9.848  -0.816
  523   1HB   LEU  64          2HB       LEU  64   1.491 -10.846  -3.202
  524   2HB   LEU  64          1HB       LEU  64   2.007  -9.247  -3.725
  525    HG   LEU  64           HG       LEU  64   3.433 -10.680  -1.479
  526   1HD1  LEU  64          1HD1      LEU  64   3.581 -12.263  -3.254
  527   2HD1  LEU  64          2HD1      LEU  64   5.091 -11.352  -3.305
  528   3HD1  LEU  64          3HD1      LEU  64   3.808 -10.999  -4.462
  529   1HD2  LEU  64          1HD2      LEU  64   5.336  -9.268  -2.555
  530   2HD2  LEU  64          2HD2      LEU  64   4.115  -8.418  -1.614
  531   3HD2  LEU  64          3HD2      LEU  64   4.037  -8.403  -3.375
  532    H    LEU  65           H        LEU  65   2.059  -8.061   0.357
  533    HA   LEU  65           HA       LEU  65   2.383  -5.507  -1.161
  534   1HB   LEU  65          2HB       LEU  65   2.181  -4.899   1.601
  535   2HB   LEU  65          1HB       LEU  65   1.045  -4.500   0.329
  536    HG   LEU  65           HG       LEU  65   0.986  -7.223   1.590
  537   1HD1  LEU  65          1HD1      LEU  65   0.908  -5.657   3.450
  538   2HD1  LEU  65          2HD1      LEU  65  -0.726  -6.254   3.155
  539   3HD1  LEU  65          3HD1      LEU  65  -0.259  -4.646   2.596
  540   1HD2  LEU  65          1HD2      LEU  65  -0.331  -6.795  -0.468
  541   2HD2  LEU  65          2HD2      LEU  65  -1.084  -5.402   0.301
  542   3HD2  LEU  65          3HD2      LEU  65  -1.400  -7.024   0.913
  543    HA   PRO  66           HA       PRO  66   6.619  -5.865   0.261
  544   1HB   PRO  66          2HB       PRO  66   7.485  -3.423  -0.618
  545   2HB   PRO  66          1HB       PRO  66   7.248  -4.812  -1.693
  546   1HG   PRO  66          2HG       PRO  66   5.542  -2.430  -1.287
  547   2HG   PRO  66          1HG       PRO  66   5.819  -3.384  -2.749
  548   1HD   PRO  66          2HD       PRO  66   3.556  -3.567  -1.156
  549   2HD   PRO  66          1HD       PRO  66   4.113  -4.821  -2.287
  550    H    GLN  67           H        GLN  67   7.872  -4.952   2.060
  551    HA   GLN  67           HA       GLN  67   6.654  -2.623   3.437
  552   1HB   GLN  67          2HB       GLN  67   5.618  -4.802   4.289
  553   2HB   GLN  67          1HB       GLN  67   7.209  -5.175   4.957
  554   1HG   GLN  67          2HG       GLN  67   7.167  -3.032   6.209
  555   2HG   GLN  67          1HG       GLN  67   5.547  -2.717   5.585
  556   1HE2  GLN  67          1HE2      GLN  67   7.018  -3.788   8.323
  557   2HE2  GLN  67          2HE2      GLN  67   5.838  -4.866   8.895
  558    H    CYS  68           H        CYS  68   8.171  -1.344   4.382
  559    HA   CYS  68           HA       CYS  68  10.995  -2.307   4.329
  560   1HB   CYS  68          2HB       CYS  68  10.050   0.496   4.950
  561   2HB   CYS  68          1HB       CYS  68  11.640  -0.016   4.390
  562    H    ASP  69           H        ASP  69  12.207  -2.500   6.224
  563    HA   ASP  69           HA       ASP  69  10.903  -1.657   8.783
  564   1HB   ASP  69          2HB       ASP  69  10.532  -4.127   8.269
  565   2HB   ASP  69          1HB       ASP  69  12.276  -4.332   8.444
  566    H    ARG  70           H        ARG  70  12.330  -0.262   9.707
  567    HA   ARG  70           HA       ARG  70  15.239  -0.622   9.210
  568   1HB   ARG  70          2HB       ARG  70  14.545   1.628   8.862
  569   2HB   ARG  70          1HB       ARG  70  13.579   1.637  10.335
  570   1HG   ARG  70          2HG       ARG  70  15.465   1.771  11.728
  571   2HG   ARG  70          1HG       ARG  70  16.550   1.164  10.479
  572   1HD   ARG  70          2HD       ARG  70  16.863   3.235   9.578
  573   2HD   ARG  70          1HD       ARG  70  15.167   3.677   9.765
  574    HE   ARG  70           HE       ARG  70  16.685   3.583  12.276
  575   1HH1  ARG  70          1HH2      ARG  70  15.585   5.405   9.561
  576   2HH1  ARG  70          2HH2      ARG  70  15.709   6.932  10.368
  577   1HH2  ARG  70          1HH1      ARG  70  16.854   5.568  13.343
  578   2HH2  ARG  70          2HH1      ARG  70  16.428   7.024  12.508
  579    H    ILE  71           H        ILE  71  16.300  -1.863  10.658
  580    HA   ILE  71           HA       ILE  71  15.571  -1.604  13.550
  581    HB   ILE  71           HB       ILE  71  14.749  -3.763  12.570
  582   1HG1  ILE  71          2HG1      ILE  71  17.064  -4.193  14.477
  583   2HG1  ILE  71          1HG1      ILE  71  15.534  -3.469  14.978
  584   1HG2  ILE  71          1HG2      ILE  71  16.274  -5.384  11.726
  585   2HG2  ILE  71          2HG2      ILE  71  17.674  -4.479  12.301
  586   3HG2  ILE  71          3HG2      ILE  71  16.730  -3.873  10.939
  587   1HD1  ILE  71          1HD1      ILE  71  14.315  -5.463  14.315
  588   2HD1  ILE  71          2HD1      ILE  71  15.636  -5.942  15.380
  589   3HD1  ILE  71          3HD1      ILE  71  15.777  -6.178  13.638
  590    H    LYS  72           H        LYS  72  17.968  -1.464  11.142
  591    HA   LYS  72           HA       LYS  72  20.066  -1.229  13.243
  592   1HB   LYS  72          2HB       LYS  72  21.628  -2.392  11.543
  593   2HB   LYS  72          1HB       LYS  72  20.514  -3.418  12.447
  594   1HG   LYS  72          2HG       LYS  72  19.034  -3.627  10.604
  595   2HG   LYS  72          1HG       LYS  72  19.776  -2.275   9.749
  596   1HD   LYS  72          2HD       LYS  72  21.797  -3.546   9.360
  597   2HD   LYS  72          1HD       LYS  72  21.223  -4.860  10.387
  598   1HE   LYS  72          2HE       LYS  72  19.399  -5.331   8.839
  599   2HE   LYS  72          1HE       LYS  72  19.850  -3.947   7.842
  600   1HZ   LYS  72          1HZ       LYS  72  21.510  -6.354   8.360
  601   2HZ   LYS  72          2HZ       LYS  72  22.009  -5.001   7.462
  602   3HZ   LYS  72          3HZ       LYS  72  20.729  -5.969   6.905
  603    H    LEU  73           H        LEU  73  22.133  -0.264  12.121
  604    HA   LEU  73           HA       LEU  73  23.020   1.649  11.096
  605   1HB   LEU  73          2HB       LEU  73  21.086   1.190   8.831
  606   2HB   LEU  73          1HB       LEU  73  22.773   1.694   8.761
  607    HG   LEU  73           HG       LEU  73  21.747  -1.062   9.487
  608   1HD1  LEU  73          1HD1      LEU  73  23.263  -1.622   7.486
  609   2HD1  LEU  73          2HD1      LEU  73  23.236   0.106   7.131
  610   3HD1  LEU  73          3HD1      LEU  73  21.736  -0.819   7.124
  611   1HD2  LEU  73          1HD2      LEU  73  24.271  -1.559   9.491
  612   2HD2  LEU  73          2HD2      LEU  73  23.640  -0.687  10.887
  613   3HD2  LEU  73          3HD2      LEU  73  24.501   0.185   9.620
  614    HA   PRO  74           HA       PRO  74  20.118   4.948  11.696
  615   1HB   PRO  74          2HB       PRO  74  21.147   6.993  10.234
  616   2HB   PRO  74          1HB       PRO  74  21.977   6.315  11.646
  617   1HG   PRO  74          2HG       PRO  74  22.617   6.040   8.791
  618   2HG   PRO  74          1HG       PRO  74  23.663   5.863  10.206
  619   1HD   PRO  74          2HD       PRO  74  22.418   3.773   8.663
  620   2HD   PRO  74          1HD       PRO  74  23.459   3.593  10.091
  621    H    CYS  75           H        CYS  75  20.786   4.829   8.167
  622    HA   CYS  75           HA       CYS  75  17.861   5.323   7.728
  623   1HB   CYS  75          2HB       CYS  75  19.405   7.265   7.138
  624   2HB   CYS  75          1HB       CYS  75  20.064   6.236   5.868
  625    H    HIS  76           H        HIS  76  18.332   2.780   7.896
  626    HA   HIS  76           HA       HIS  76  18.474   1.828   5.070
  627   1HB   HIS  76          2HB       HIS  76  20.624   1.403   6.503
  628   2HB   HIS  76          1HB       HIS  76  19.641   0.185   7.315
  629    HD1  HIS  76           1HD      HIS  76  19.816  -2.063   6.267
  630    HD2  HIS  76           2HD      HIS  76  20.377   0.970   3.459
  631    HE1  HIS  76           1HE      HIS  76  20.277  -3.210   4.054
  632    HE2  HIS  76           2HE      HIS  76  20.620  -1.373   2.338
  633    H    TYR  77           H        TYR  77  17.148  -0.056   4.692
  634    HA   TYR  77           HA       TYR  77  15.399  -0.866   6.971
  635   1HB   TYR  77          2HB       TYR  77  14.194  -0.455   4.254
  636   2HB   TYR  77          1HB       TYR  77  13.419  -0.408   5.838
  637    HD1  TYR  77           1HD      TYR  77  13.176   1.630   7.015
  638    HD2  TYR  77           2HD      TYR  77  15.821   1.410   3.639
  639    HE1  TYR  77           1HE      TYR  77  13.479   4.090   7.092
  640    HE2  TYR  77           2HE      TYR  77  16.120   3.870   3.713
  641    HH   TYR  77           HH       TYR  77  15.614   5.749   4.764
  642    H    LYS  78           H        LYS  78  14.189  -2.878   6.489
  643    HA   LYS  78           HA       LYS  78  15.805  -4.684   4.737
  644   1HB   LYS  78          2HB       LYS  78  15.534  -5.142   7.267
  645   2HB   LYS  78          1HB       LYS  78  13.862  -5.553   6.886
  646   1HG   LYS  78          2HG       LYS  78  14.898  -7.095   5.058
  647   2HG   LYS  78          1HG       LYS  78  16.391  -6.922   5.983
  648   1HD   LYS  78          2HD       LYS  78  13.740  -7.931   7.056
  649   2HD   LYS  78          1HD       LYS  78  15.165  -8.917   6.721
  650   1HE   LYS  78          2HE       LYS  78  16.427  -7.415   8.352
  651   2HE   LYS  78          1HE       LYS  78  14.859  -6.763   8.824
  652   1HZ   LYS  78          1HZ       LYS  78  16.049  -9.309   9.441
  653   2HZ   LYS  78          2HZ       LYS  78  14.444  -9.428   8.896
  654   3HZ   LYS  78          3HZ       LYS  78  14.817  -8.465  10.244
  655    H    LEU  79           H        LEU  79  14.632  -6.160   3.365
  656    HA   LEU  79           HA       LEU  79  12.013  -5.064   2.513
  657   1HB   LEU  79          2HB       LEU  79  14.176  -5.883   1.063
  658   2HB   LEU  79          1HB       LEU  79  13.201  -7.351   1.036
  659    HG   LEU  79           HG       LEU  79  12.189  -4.595   0.269
  660   1HD1  LEU  79          1HD1      LEU  79  12.440  -5.207  -1.994
  661   2HD1  LEU  79          2HD1      LEU  79  12.655  -6.914  -1.603
  662   3HD1  LEU  79          3HD1      LEU  79  13.941  -5.759  -1.250
  663   1HD2  LEU  79          1HD2      LEU  79  10.404  -6.012   1.100
  664   2HD2  LEU  79          2HD2      LEU  79  10.977  -7.372   0.135
  665   3HD2  LEU  79          3HD2      LEU  79  10.283  -5.958  -0.659
  666    H    SER  80           H        SER  80  10.166  -6.024   3.160
  667    HA   SER  80           HA       SER  80  10.111  -8.961   3.586
  668   1HB   SER  80          2HB       SER  80  10.526  -8.233   5.823
  669   2HB   SER  80          1HB       SER  80   9.419  -6.873   5.663
  670    HG   SER  80           HG       SER  80   8.868  -9.627   5.904
  671    H    SER  81           H        SER  81   8.327  -9.730   2.556
  672    HA   SER  81           HA       SER  81   5.896  -8.000   2.424
  673   1HB   SER  81          2HB       SER  81   5.710  -8.153   0.110
  674   2HB   SER  81          1HB       SER  81   7.459  -8.051   0.289
  675    HG   SER  81           HG       SER  81   5.827 -10.223  -0.364
  676    H    SER  82           H        SER  82   3.930  -9.247   1.970
  677    HA   SER  82           HA       SER  82   4.055 -12.165   2.018
  678   1HB   SER  82          2HB       SER  82   3.104 -12.537   4.167
  679   2HB   SER  82          1HB       SER  82   4.396 -11.374   4.449
  680    HG   SER  82           HG       SER  82   1.933 -11.088   5.131
  681    H    THR  83           H        THR  83   1.825 -13.091   1.944
  682    HA   THR  83           HA       THR  83   0.011 -11.188   0.568
  683    HB   THR  83           HB       THR  83  -0.950 -13.696   0.070
  684    HG1  THR  83           1HG      THR  83   1.210 -14.193   1.275
  685   1HG2  THR  83          1HG2      THR  83   1.288 -12.272  -1.382
  686   2HG2  THR  83          2HG2      THR  83  -0.435 -11.956  -1.594
  687   3HG2  THR  83          3HG2      THR  83   0.244 -13.509  -2.082
  688    H    ASN  84           H        ASN  84  -1.696 -10.506   1.749
  689    HA   ASN  84           HA       ASN  84  -3.275 -12.415   3.308
  690   1HB   ASN  84          2HB       ASN  84  -3.064 -11.206   5.448
  691   2HB   ASN  84          1HB       ASN  84  -1.499 -11.833   4.928
  692   1HD2  ASN  84          1HD2      ASN  84  -3.418  -8.863   5.269
  693   2HD2  ASN  84          2HD2      ASN  84  -2.116  -7.793   5.063
  694    H    THR  85           H        THR  85  -5.353 -11.493   3.919
  695    HA   THR  85           HA       THR  85  -6.343  -9.535   2.088
  696    HB   THR  85           HB       THR  85  -7.904  -9.844   4.561
  697    HG1  THR  85           1HG      THR  85  -8.174 -12.197   3.682
  698   1HG2  THR  85          1HG2      THR  85  -8.297 -10.487   1.635
  699   2HG2  THR  85          2HG2      THR  85  -9.017  -9.175   2.567
  700   3HG2  THR  85          3HG2      THR  85  -9.516 -10.838   2.859
  701    H    ILE  86           H        ILE  86  -7.055  -7.338   2.584
  702    HA   ILE  86           HA       ILE  86  -5.934  -6.177   5.088
  703    HB   ILE  86           HB       ILE  86  -4.446  -4.818   4.024
  704   1HG1  ILE  86          2HG1      ILE  86  -6.494  -4.588   1.792
  705   2HG1  ILE  86          1HG1      ILE  86  -6.133  -3.382   3.031
  706   1HG2  ILE  86          1HG2      ILE  86  -5.010  -6.633   1.660
  707   2HG2  ILE  86          2HG2      ILE  86  -4.024  -7.088   3.049
  708   3HG2  ILE  86          3HG2      ILE  86  -3.505  -5.777   1.995
  709   1HD1  ILE  86          1HD1      ILE  86  -3.742  -3.409   2.124
  710   2HD1  ILE  86          2HD1      ILE  86  -4.969  -2.654   1.106
  711   3HD1  ILE  86          3HD1      ILE  86  -4.398  -4.282   0.739
  712    H    CYS  87           H        CYS  87  -7.237  -4.622   5.963
  713    HA   CYS  87           HA       CYS  87  -9.820  -4.117   4.647
  714   1HB   CYS  87          2HB       CYS  87  -8.695  -3.799   7.388
  715   2HB   CYS  87          1HB       CYS  87  -9.985  -2.688   6.925
  716    H    ILE  88           H        ILE  88 -10.405  -2.220   3.741
  717    HA   ILE  88           HA       ILE  88  -8.748   0.198   4.159
  718    HB   ILE  88           HB       ILE  88  -7.531  -0.227   2.281
  719   1HG1  ILE  88          2HG1      ILE  88 -10.135   0.098   0.761
  720   2HG1  ILE  88          1HG1      ILE  88  -9.252   1.452   1.464
  721   1HG2  ILE  88          1HG2      ILE  88  -9.686  -2.218   1.530
  722   2HG2  ILE  88          2HG2      ILE  88  -8.130  -2.577   2.274
  723   3HG2  ILE  88          3HG2      ILE  88  -8.197  -1.976   0.620
  724   1HD1  ILE  88          1HD1      ILE  88  -7.819   1.488  -0.269
  725   2HD1  ILE  88          2HD1      ILE  88  -8.814   0.264  -1.055
  726   3HD1  ILE  88          3HD1      ILE  88  -7.445  -0.222  -0.059
  727    H    THR  89           H        THR  89  -9.872   2.149   3.406
  728    HA   THR  89           HA       THR  89 -12.815   1.673   3.180
  729    HB   THR  89           HB       THR  89 -11.163   3.734   4.512
  730    HG1  THR  89           1HG      THR  89 -12.964   2.031   5.143
  731   1HG2  THR  89          1HG2      THR  89 -13.087   5.391   4.337
  732   2HG2  THR  89          2HG2      THR  89 -13.680   4.430   2.983
  733   3HG2  THR  89          3HG2      THR  89 -12.106   5.221   2.881
  734    H    CYS  90           H        CYS  90 -13.895   2.341   1.399
  735    HA   CYS  90           HA       CYS  90 -12.405   3.931  -0.656
  736   1HB   CYS  90          2HB       CYS  90 -12.639   1.389  -1.077
  737   2HB   CYS  90          1HB       CYS  90 -14.353   1.722  -1.326
  738    H    VAL  91           H        VAL  91 -13.742   5.316  -1.948
  739    HA   VAL  91           HA       VAL  91 -16.272   6.069  -0.625
  740    HB   VAL  91           HB       VAL  91 -16.164   8.069  -2.045
  741   1HG1  VAL  91          1HG1      VAL  91 -13.391   7.517  -0.973
  742   2HG1  VAL  91          2HG1      VAL  91 -14.770   7.802   0.088
  743   3HG1  VAL  91          3HG1      VAL  91 -14.247   9.058  -1.033
  744   1HG2  VAL  91          1HG2      VAL  91 -15.286   7.276  -4.101
  745   2HG2  VAL  91          2HG2      VAL  91 -13.900   6.524  -3.314
  746   3HG2  VAL  91          3HG2      VAL  91 -13.995   8.281  -3.442
  747    H    ASN  92           H        ASN  92 -17.250   7.248  -3.207
  748    HA   ASN  92           HA       ASN  92 -19.111   5.345  -3.973
  749   1HB   ASN  92          2HB       ASN  92 -17.839   7.572  -5.552
  750   2HB   ASN  92          1HB       ASN  92 -19.137   6.582  -6.221
  751   1HD2  ASN  92          1HD2      ASN  92 -18.380   9.051  -3.811
  752   2HD2  ASN  92          2HD2      ASN  92 -19.987   9.374  -3.372
  753    H    GLN  93           H        GLN  93 -15.843   5.682  -5.110
  754    HA   GLN  93           HA       GLN  93 -15.596   2.954  -5.873
  755   1HB   GLN  93          2HB       GLN  93 -15.450   3.391  -8.410
  756   2HB   GLN  93          1HB       GLN  93 -17.063   3.293  -7.705
  757   1HG   GLN  93          2HG       GLN  93 -17.319   5.664  -7.709
  758   2HG   GLN  93          1HG       GLN  93 -15.604   5.921  -8.026
  759   1HE2  GLN  93          1HE2      GLN  93 -17.040   3.296  -9.781
  760   2HE2  GLN  93          2HE2      GLN  93 -17.179   4.093 -11.274
  761    H    LEU  94           H        LEU  94 -13.994   4.828  -4.514
  762    HA   LEU  94           HA       LEU  94 -11.532   4.683  -6.150
  763   1HB   LEU  94          2HB       LEU  94 -12.876   7.203  -5.265
  764   2HB   LEU  94          1HB       LEU  94 -11.117   7.145  -5.148
  765    HG   LEU  94           HG       LEU  94 -12.451   6.258  -7.694
  766   1HD1  LEU  94          1HD1      LEU  94 -12.247   8.610  -8.519
  767   2HD1  LEU  94          2HD1      LEU  94 -11.902   9.120  -6.867
  768   3HD1  LEU  94          3HD1      LEU  94 -13.473   8.422  -7.265
  769   1HD2  LEU  94          1HD2      LEU  94 -10.359   6.690  -8.651
  770   2HD2  LEU  94          2HD2      LEU  94  -9.911   6.119  -7.044
  771   3HD2  LEU  94          3HD2      LEU  94  -9.917   7.846  -7.396
  772    HA   PRO  95           HA       PRO  95 -10.540   3.465  -1.890
  773   1HB   PRO  95          2HB       PRO  95  -8.126   2.316  -2.414
  774   2HB   PRO  95          1HB       PRO  95  -9.667   1.515  -2.778
  775   1HG   PRO  95          2HG       PRO  95  -7.801   2.941  -4.604
  776   2HG   PRO  95          1HG       PRO  95  -8.746   1.467  -4.879
  777   1HD   PRO  95          2HD       PRO  95  -9.478   3.965  -5.809
  778   2HD   PRO  95          1HD       PRO  95 -10.626   2.640  -5.515
  779    H    ILE  96           H        ILE  96  -9.620   4.814  -0.343
  780    HA   ILE  96           HA       ILE  96  -7.149   6.292  -1.090
  781    HB   ILE  96           HB       ILE  96  -8.087   8.412  -0.330
  782   1HG1  ILE  96          2HG1      ILE  96 -10.697   8.364  -0.034
  783   2HG1  ILE  96          1HG1      ILE  96 -10.455   6.656   0.323
  784   1HG2  ILE  96          1HG2      ILE  96  -9.422   8.848  -2.226
  785   2HG2  ILE  96          2HG2      ILE  96 -10.120   7.229  -2.218
  786   3HG2  ILE  96          3HG2      ILE  96  -8.448   7.465  -2.717
  787   1HD1  ILE  96          1HD1      ILE  96  -8.644   8.528   1.750
  788   2HD1  ILE  96          2HD1      ILE  96  -9.469   7.087   2.337
  789   3HD1  ILE  96          3HD1      ILE  96 -10.345   8.607   2.203
  790    H    HIS  97           H        HIS  97  -8.844   4.491   1.290
  791    HA   HIS  97           HA       HIS  97  -6.956   5.586   3.360
  792   1HB   HIS  97          2HB       HIS  97  -9.838   5.146   3.447
  793   2HB   HIS  97          1HB       HIS  97  -9.012   4.277   4.738
  794    HD1  HIS  97           1HD      HIS  97  -9.901   5.918   6.550
  795    HD2  HIS  97           2HD      HIS  97  -7.566   7.762   3.626
  796    HE1  HIS  97           1HE      HIS  97  -9.358   8.235   7.419
  797    HE2  HIS  97           2HE      HIS  97  -7.938   9.364   5.647
  798    H    PHE  98           H        PHE  98  -5.800   4.135   4.570
  799    HA   PHE  98           HA       PHE  98  -5.964   1.263   3.734
  800   1HB   PHE  98          2HB       PHE  98  -3.818   2.570   3.288
  801   2HB   PHE  98          1HB       PHE  98  -3.620   2.679   5.036
  802    HD1  PHE  98           1HD      PHE  98  -3.201   0.608   2.113
  803    HD2  PHE  98           2HD      PHE  98  -3.540   0.519   6.394
  804    HE1  PHE  98           1HE      PHE  98  -2.196  -1.660   2.147
  805    HE2  PHE  98           2HE      PHE  98  -2.536  -1.749   6.425
  806    HZ   PHE  98           HZ       PHE  98  -1.865  -2.838   4.302
  807    H    ALA  99           H        ALA  99  -7.349   0.405   5.291
  808    HA   ALA  99           HA       ALA  99  -7.541   1.232   7.994
  809   1HB   ALA  99          1HB       ALA  99  -7.948  -1.654   7.299
  810   2HB   ALA  99          2HB       ALA  99  -8.988  -0.449   6.541
  811   3HB   ALA  99          3HB       ALA  99  -8.941  -0.594   8.296
  812    H    GLY 100           H        GLY 100  -6.154  -1.944   7.112
  813   1HA   GLY 100          2HA       GLY 100  -3.638  -1.427   8.447
  814   2HA   GLY 100          1HA       GLY 100  -4.726  -2.365   9.470
  815    H    VAL 101           H        VAL 101  -2.904  -3.994   9.154
  816    HA   VAL 101           HA       VAL 101  -2.901  -5.324   6.511
  817    HB   VAL 101           HB       VAL 101  -1.427  -6.201   9.002
  818   1HG1  VAL 101          1HG1      VAL 101  -0.961  -6.562   6.027
  819   2HG1  VAL 101          2HG1      VAL 101  -1.463  -7.809   7.167
  820   3HG1  VAL 101          3HG1      VAL 101   0.148  -7.103   7.287
  821   1HG2  VAL 101          1HG2      VAL 101   0.482  -4.854   8.112
  822   2HG2  VAL 101          2HG2      VAL 101  -0.877  -3.851   8.620
  823   3HG2  VAL 101          3HG2      VAL 101  -0.605  -4.165   6.907
  824    H    GLY 102           H        GLY 102  -3.328  -7.664   6.378
  825   1HA   GLY 102          2HA       GLY 102  -4.654  -9.556   6.794
  826   2HA   GLY 102          1HA       GLY 102  -4.517  -9.158   8.506
  827    H    SER 103           H        SER 103  -6.864  -9.993   8.337
  828    HA   SER 103           HA       SER 103  -8.876  -8.422   7.048
  829   1HB   SER 103          2HB       SER 103 -10.445  -9.556   8.588
  830   2HB   SER 103          1HB       SER 103  -9.306 -10.699   7.883
  831    HG   SER 103           HG       SER 103  -8.931 -11.171   9.904
  832    H    CYS 104           H        CYS 104 -10.627  -7.264   8.471
  833    HA   CYS 104           HA       CYS 104  -9.522  -4.916   9.558
  834   1HB   CYS 104          2HB       CYS 104 -12.196  -6.257   9.761
  835   2HB   CYS 104          1HB       CYS 104 -11.867  -4.877  10.807
  836    HA   PRO 105           HA       PRO 105  -7.863  -5.613  13.584
  837   1HB   PRO 105          2HB       PRO 105 -10.133  -3.918  14.580
  838   2HB   PRO 105          1HB       PRO 105  -8.405  -3.827  14.977
  839   1HG   PRO 105          2HG       PRO 105  -9.565  -2.141  13.238
  840   2HG   PRO 105          1HG       PRO 105  -7.887  -2.679  13.066
  841   1HD   PRO 105          2HD       PRO 105 -10.226  -3.363  11.402
  842   2HD   PRO 105          1HD       PRO 105  -8.496  -3.539  11.036
  Start of MODEL    2
    1    HN   PCA   1           H        PCA   1  -6.505   9.059   1.080
    2    HA   PCA   1           HA       PCA   1  -7.940  11.135   1.894
    3   1HB   PCA   1          1HB       PCA   1  -6.530  12.546   2.982
    4   2HB   PCA   1          2HB       PCA   1  -5.910  13.005   1.414
    5   1HG   PCA   1          1HG       PCA   1  -4.578  11.705   3.329
    6   2HG   PCA   1          2HG       PCA   1  -4.193  11.681   1.593
    7    H    ASP   2           H        ASP   2  -5.996   9.984  -0.609
    8    HA   ASP   2           HA       ASP   2  -7.793  11.121  -2.585
    9   1HB   ASP   2          2HB       ASP   2  -5.078  12.300  -2.137
   10   2HB   ASP   2          1HB       ASP   2  -5.614  12.100  -3.804
   11    H    TRP   3           H        TRP   3  -8.019   9.450  -3.977
   12    HA   TRP   3           HA       TRP   3  -6.569   7.089  -3.971
   13   1HB   TRP   3          2HB       TRP   3  -8.558   7.023  -5.192
   14   2HB   TRP   3          1HB       TRP   3  -8.167   8.479  -6.098
   15    HD1  TRP   3           HD       TRP   3  -8.182   7.659  -8.496
   16    HE1  TRP   3           1HE      TRP   3  -6.899   5.870  -9.832
   17    HE3  TRP   3           3HE      TRP   3  -5.787   5.222  -4.678
   18    HZ2  TRP   3           2HZ      TRP   3  -5.113   3.700  -9.357
   19    HZ3  TRP   3           3HZ      TRP   3  -4.310   3.300  -5.159
   20    HH2  TRP   3           HH       TRP   3  -3.969   2.535  -7.491
   21    H    GLU   4           H        GLU   4  -5.713  10.120  -5.510
   22    HA   GLU   4           HA       GLU   4  -3.667   9.136  -7.254
   23   1HB   GLU   4          2HB       GLU   4  -4.623  11.471  -7.276
   24   2HB   GLU   4          1HB       GLU   4  -3.702  11.803  -5.808
   25   1HG   GLU   4          2HG       GLU   4  -2.399  12.585  -7.688
   26   2HG   GLU   4          1HG       GLU   4  -1.618  11.136  -7.057
   27    H    THR   5           H        THR   5  -2.865  11.077  -4.370
   28    HA   THR   5           HA       THR   5  -0.281  10.058  -4.019
   29    HB   THR   5           HB       THR   5  -1.166  11.959  -2.730
   30    HG1  THR   5           1HG      THR   5   0.620  10.795  -1.921
   31   1HG2  THR   5          1HG2      THR   5  -2.769  11.715  -1.006
   32   2HG2  THR   5          2HG2      THR   5  -2.596   9.959  -0.985
   33   3HG2  THR   5          3HG2      THR   5  -3.406  10.750  -2.337
   34    H    PHE   6           H        PHE   6  -3.329   8.800  -2.689
   35    HA   PHE   6           HA       PHE   6  -2.315   6.682  -1.136
   36   1HB   PHE   6          2HB       PHE   6  -4.774   7.442  -1.519
   37   2HB   PHE   6          1HB       PHE   6  -4.741   6.356  -2.904
   38    HD1  PHE   6           1HD      PHE   6  -4.118   6.481   0.780
   39    HD2  PHE   6           2HD      PHE   6  -5.051   4.037  -2.626
   40    HE1  PHE   6           1HE      PHE   6  -4.529   4.549   2.276
   41    HE2  PHE   6           2HE      PHE   6  -5.460   2.105  -1.131
   42    HZ   PHE   6           HZ       PHE   6  -5.202   2.361   1.321
   43    H    GLN   7           H        GLN   7  -2.436   7.120  -4.569
   44    HA   GLN   7           HA       GLN   7  -1.801   4.299  -5.137
   45   1HB   GLN   7          2HB       GLN   7  -3.264   5.733  -6.641
   46   2HB   GLN   7          1HB       GLN   7  -1.817   6.646  -7.056
   47   1HG   GLN   7          2HG       GLN   7  -1.879   3.645  -7.335
   48   2HG   GLN   7          1HG       GLN   7  -2.512   4.687  -8.608
   49   1HE2  GLN   7          1HE2      GLN   7  -0.762   6.759  -8.802
   50   2HE2  GLN   7          2HE2      GLN   7   0.819   6.218  -9.097
   51    H    LYS   8           H        LYS   8  -0.166   7.328  -4.616
   52    HA   LYS   8           HA       LYS   8   2.308   6.380  -5.922
   53   1HB   LYS   8          2HB       LYS   8   1.967   8.884  -4.271
   54   2HB   LYS   8          1HB       LYS   8   3.168   8.559  -5.521
   55   1HG   LYS   8          2HG       LYS   8   1.245   8.333  -7.162
   56   2HG   LYS   8          1HG       LYS   8   0.189   8.943  -5.894
   57   1HD   LYS   8          2HD       LYS   8   1.160  11.069  -5.913
   58   2HD   LYS   8          1HD       LYS   8   2.672  10.486  -6.605
   59   1HE   LYS   8          2HE       LYS   8   0.165  10.223  -8.229
   60   2HE   LYS   8          1HE       LYS   8   0.934  11.806  -8.106
   61   1HZ   LYS   8          1HZ       LYS   8   2.896  11.004  -9.045
   62   2HZ   LYS   8          2HZ       LYS   8   1.672  10.296  -9.986
   63   3HZ   LYS   8          3HZ       LYS   8   2.473   9.381  -8.801
   64    H    LYS   9           H        LYS   9   1.387   7.346  -2.574
   65    HA   LYS   9           HA       LYS   9   3.940   6.307  -1.581
   66   1HB   LYS   9          2HB       LYS   9   2.831   6.883   0.688
   67   2HB   LYS   9          1HB       LYS   9   3.226   8.205  -0.408
   68   1HG   LYS   9          2HG       LYS   9   0.974   8.467  -1.092
   69   2HG   LYS   9          1HG       LYS   9   0.509   6.891  -0.451
   70   1HD   LYS   9          2HD       LYS   9   0.980   7.719   1.851
   71   2HD   LYS   9          1HD       LYS   9   1.344   9.308   1.180
   72   1HE   LYS   9          2HE       LYS   9  -0.878   9.706   0.570
   73   2HE   LYS   9          1HE       LYS   9  -1.286   7.990   0.548
   74   1HZ   LYS   9          1HZ       LYS   9  -0.496   9.366   3.041
   75   2HZ   LYS   9          2HZ       LYS   9  -1.325   7.894   2.861
   76   3HZ   LYS   9          3HZ       LYS   9  -2.105   9.360   2.503
   77    H    HIS  10           H        HIS  10   0.502   5.313  -1.198
   78    HA   HIS  10           HA       HIS  10   1.316   2.998   0.396
   79   1HB   HIS  10          2HB       HIS  10  -1.357   3.733  -0.814
   80   2HB   HIS  10          1HB       HIS  10  -1.086   2.376   0.276
   81    HD1  HIS  10           1HD      HIS  10  -2.814   3.776   1.857
   82    HD2  HIS  10           2HD      HIS  10   0.974   5.438   1.334
   83    HE1  HIS  10           1HE      HIS  10  -2.520   5.486   3.705
   84    HE2  HIS  10           2HE      HIS  10  -0.218   6.504   3.394
   85    H    LEU  11           H        LEU  11   1.172   3.588  -2.979
   86    HA   LEU  11           HA       LEU  11   1.188   0.615  -3.440
   87   1HB   LEU  11          2HB       LEU  11  -0.244   2.810  -4.841
   88   2HB   LEU  11          1HB       LEU  11   0.485   1.589  -5.876
   89    HG   LEU  11           HG       LEU  11  -0.668  -0.172  -4.519
   90   1HD1  LEU  11          1HD1      LEU  11  -1.098   0.826  -2.432
   91   2HD1  LEU  11          2HD1      LEU  11  -2.685   0.798  -3.188
   92   3HD1  LEU  11          3HD1      LEU  11  -1.749   2.291  -3.156
   93   1HD2  LEU  11          1HD2      LEU  11  -2.391   1.959  -5.809
   94   2HD2  LEU  11          2HD2      LEU  11  -2.943   0.330  -5.422
   95   3HD2  LEU  11          3HD2      LEU  11  -1.660   0.567  -6.609
   96    H    THR  12           H        THR  12   2.649  -0.152  -5.031
   97    HA   THR  12           HA       THR  12   4.655   1.842  -6.008
   98    HB   THR  12           HB       THR  12   5.754   0.823  -4.137
   99    HG1  THR  12           1HG      THR  12   7.377   0.633  -5.420
  100   1HG2  THR  12          1HG2      THR  12   4.101  -1.414  -4.761
  101   2HG2  THR  12          2HG2      THR  12   5.186  -1.223  -3.386
  102   3HG2  THR  12          3HG2      THR  12   5.775  -1.954  -4.876
  103    H    ASP  13           H        ASP  13   6.273   0.057  -7.426
  104    HA   ASP  13           HA       ASP  13   4.320  -1.094  -9.389
  105   1HB   ASP  13          2HB       ASP  13   6.090  -0.566 -11.110
  106   2HB   ASP  13          1HB       ASP  13   5.350   0.849 -10.364
  107    H    THR  14           H        THR  14   6.215  -2.236  -7.078
  108    HA   THR  14           HA       THR  14   6.830  -4.666  -8.621
  109    HB   THR  14           HB       THR  14   8.836  -3.251  -8.979
  110    HG1  THR  14           1HG      THR  14   9.055  -5.513  -8.775
  111   1HG2  THR  14          1HG2      THR  14   8.583  -1.987  -6.824
  112   2HG2  THR  14          2HG2      THR  14  10.218  -2.583  -7.110
  113   3HG2  THR  14          3HG2      THR  14   9.161  -3.420  -5.974
  114    H    LYS  15           H        LYS  15   7.283  -6.484  -7.247
  115    HA   LYS  15           HA       LYS  15   5.982  -6.328  -4.655
  116   1HB   LYS  15          2HB       LYS  15   6.945  -8.761  -4.532
  117   2HB   LYS  15          1HB       LYS  15   5.687  -8.403  -5.715
  118   1HG   LYS  15          2HG       LYS  15   7.237  -8.288  -7.503
  119   2HG   LYS  15          1HG       LYS  15   8.613  -8.150  -6.412
  120   1HD   LYS  15          2HD       LYS  15   8.605 -10.405  -7.259
  121   2HD   LYS  15          1HD       LYS  15   8.075 -10.478  -5.579
  122   1HE   LYS  15          2HE       LYS  15   6.672 -11.857  -7.152
  123   2HE   LYS  15          1HE       LYS  15   5.755 -10.650  -6.252
  124   1HZ   LYS  15          1HZ       LYS  15   5.525  -9.318  -8.096
  125   2HZ   LYS  15          2HZ       LYS  15   5.429 -10.866  -8.791
  126   3HZ   LYS  15          3HZ       LYS  15   6.873  -9.975  -8.888
  127    H    LYS  16           H        LYS  16   9.203  -5.931  -5.801
  128    HA   LYS  16           HA       LYS  16  10.228  -6.005  -2.984
  129   1HB   LYS  16          2HB       LYS  16  11.749  -6.536  -5.556
  130   2HB   LYS  16          1HB       LYS  16  12.428  -6.578  -3.929
  131   1HG   LYS  16          2HG       LYS  16  11.310  -8.545  -3.362
  132   2HG   LYS  16          1HG       LYS  16  10.038  -8.288  -4.556
  133   1HD   LYS  16          2HD       LYS  16  11.473  -8.902  -6.362
  134   2HD   LYS  16          1HD       LYS  16  12.907  -8.831  -5.339
  135   1HE   LYS  16          2HE       LYS  16  10.631 -10.748  -4.805
  136   2HE   LYS  16          1HE       LYS  16  12.002 -11.172  -5.829
  137   1HZ   LYS  16          1HZ       LYS  16  13.422 -10.443  -3.881
  138   2HZ   LYS  16          2HZ       LYS  16  12.576 -11.904  -3.702
  139   3HZ   LYS  16          3HZ       LYS  16  12.005 -10.491  -2.951
  140    H    VAL  17           H        VAL  17   9.232  -3.694  -3.284
  141    HA   VAL  17           HA       VAL  17  10.338  -1.720  -4.939
  142    HB   VAL  17           HB       VAL  17   9.714  -0.099  -3.198
  143   1HG1  VAL  17          1HG1      VAL  17   7.669  -2.305  -3.178
  144   2HG1  VAL  17          2HG1      VAL  17   8.017  -1.390  -4.640
  145   3HG1  VAL  17          3HG1      VAL  17   7.398  -0.565  -3.209
  146   1HG2  VAL  17          1HG2      VAL  17   9.552  -2.604  -1.508
  147   2HG2  VAL  17          2HG2      VAL  17   8.727  -1.112  -1.056
  148   3HG2  VAL  17          3HG2      VAL  17  10.485  -1.142  -1.193
  149    H    LYS  18           H        LYS  18  11.747   0.125  -4.045
  150    HA   LYS  18           HA       LYS  18  14.229  -1.111  -2.974
  151   1HB   LYS  18          2HB       LYS  18  15.143   1.249  -3.684
  152   2HB   LYS  18          1HB       LYS  18  14.794   0.055  -4.935
  153   1HG   LYS  18          2HG       LYS  18  12.612   1.060  -5.351
  154   2HG   LYS  18          1HG       LYS  18  12.843   2.187  -4.016
  155   1HD   LYS  18          2HD       LYS  18  13.448   3.494  -5.862
  156   2HD   LYS  18          1HD       LYS  18  15.011   2.887  -5.317
  157   1HE   LYS  18          2HE       LYS  18  14.742   2.658  -7.773
  158   2HE   LYS  18          1HE       LYS  18  14.918   1.089  -6.989
  159   1HZ   LYS  18          1HZ       LYS  18  12.202   2.068  -7.226
  160   2HZ   LYS  18          2HZ       LYS  18  12.823   0.507  -7.481
  161   3HZ   LYS  18          3HZ       LYS  18  12.960   1.689  -8.695
  162    H    CYS  19           H        CYS  19  12.830  -1.080  -0.910
  163    HA   CYS  19           HA       CYS  19  11.863   0.886   0.600
  164   1HB   CYS  19          2HB       CYS  19  13.946  -1.137   1.413
  165   2HB   CYS  19          1HB       CYS  19  13.189  -0.062   2.588
  166    H    ASP  20           H        ASP  20  15.377   0.595   0.026
  167    HA   ASP  20           HA       ASP  20  16.364   2.604   1.669
  168   1HB   ASP  20          2HB       ASP  20  17.852   1.299   0.263
  169   2HB   ASP  20          1HB       ASP  20  17.140   1.987  -1.196
  170    H    VAL  21           H        VAL  21  14.785   2.992  -1.476
  171    HA   VAL  21           HA       VAL  21  14.770   5.945  -1.086
  172    HB   VAL  21           HB       VAL  21  13.778   4.558  -3.559
  173   1HG1  VAL  21          1HG1      VAL  21  15.194   7.173  -2.974
  174   2HG1  VAL  21          2HG1      VAL  21  13.517   6.962  -3.475
  175   3HG1  VAL  21          3HG1      VAL  21  14.824   6.600  -4.599
  176   1HG2  VAL  21          1HG2      VAL  21  16.663   4.947  -2.731
  177   2HG2  VAL  21          2HG2      VAL  21  16.171   4.708  -4.407
  178   3HG2  VAL  21          3HG2      VAL  21  15.877   3.444  -3.212
  179    H    GLU  22           H        GLU  22  12.676   3.116  -1.469
  180    HA   GLU  22           HA       GLU  22  10.182   4.424  -1.754
  181   1HB   GLU  22          2HB       GLU  22  11.031   1.789  -1.373
  182   2HB   GLU  22          1HB       GLU  22  10.041   2.120   0.049
  183   1HG   GLU  22          2HG       GLU  22   8.579   1.272  -1.676
  184   2HG   GLU  22          1HG       GLU  22   8.254   2.996  -1.503
  185    H    MET  23           H        MET  23  12.410   4.713   0.692
  186    HA   MET  23           HA       MET  23  10.343   5.774   2.584
  187   1HB   MET  23          2HB       MET  23  12.846   4.182   3.203
  188   2HB   MET  23          1HB       MET  23  11.960   5.096   4.420
  189   1HG   MET  23          2HG       MET  23   9.883   3.763   3.573
  190   2HG   MET  23          1HG       MET  23  11.076   2.671   2.871
  191   1HE   MET  23          1HE       MET  23   9.850   4.601   5.694
  192   2HE   MET  23          2HE       MET  23  11.345   4.597   6.624
  193   3HE   MET  23          3HE       MET  23   9.996   3.588   7.136
  194    H    ALA  24           H        ALA  24  13.785   5.872   1.626
  195    HA   ALA  24           HA       ALA  24  14.295   8.376   2.973
  196   1HB   ALA  24          1HB       ALA  24  16.039   6.676   2.267
  197   2HB   ALA  24          2HB       ALA  24  16.417   8.345   1.843
  198   3HB   ALA  24          3HB       ALA  24  15.810   7.238   0.611
  199    H    LYS  25           H        LYS  25  12.209   7.823   0.570
  200    HA   LYS  25           HA       LYS  25  12.750   9.587  -1.544
  201   1HB   LYS  25          2HB       LYS  25  10.267   8.621  -0.194
  202   2HB   LYS  25          1HB       LYS  25  10.097  10.011  -1.260
  203   1HG   LYS  25          2HG       LYS  25  10.452   8.777  -3.142
  204   2HG   LYS  25          1HG       LYS  25  11.721   7.814  -2.392
  205   1HD   LYS  25          2HD       LYS  25   9.872   6.344  -2.847
  206   2HD   LYS  25          1HD       LYS  25   9.928   6.598  -1.102
  207   1HE   LYS  25          2HE       LYS  25   7.622   6.819  -1.844
  208   2HE   LYS  25          1HE       LYS  25   8.219   8.407  -1.364
  209   1HZ   LYS  25          1HZ       LYS  25   8.616   7.664  -4.147
  210   2HZ   LYS  25          2HZ       LYS  25   8.190   9.162  -3.471
  211   3HZ   LYS  25          3HZ       LYS  25   7.013   7.954  -3.676
  212    H    ALA  26           H        ALA  26  11.016  11.659  -1.633
  213    HA   ALA  26           HA       ALA  26  12.081  13.495   0.453
  214   1HB   ALA  26          1HB       ALA  26  12.454  14.332  -1.752
  215   2HB   ALA  26          2HB       ALA  26  11.090  15.255  -1.122
  216   3HB   ALA  26          3HB       ALA  26  10.813  13.934  -2.258
  217    H    LEU  27           H        LEU  27   9.245  11.770  -0.388
  218    HA   LEU  27           HA       LEU  27   7.498  13.688   1.082
  219   1HB   LEU  27          2HB       LEU  27   5.630  12.449   0.207
  220   2HB   LEU  27          1HB       LEU  27   6.750  12.728  -1.123
  221    HG   LEU  27           HG       LEU  27   7.678  10.331  -0.128
  222   1HD1  LEU  27          1HD1      LEU  27   5.847  10.024   1.428
  223   2HD1  LEU  27          2HD1      LEU  27   5.604   8.912   0.084
  224   3HD1  LEU  27          3HD1      LEU  27   4.660  10.396   0.178
  225   1HD2  LEU  27          1HD2      LEU  27   7.410  10.597  -2.460
  226   2HD2  LEU  27          2HD2      LEU  27   5.703  11.012  -2.308
  227   3HD2  LEU  27          3HD2      LEU  27   6.232   9.350  -2.053
  228    H    PHE  28           H        PHE  28   9.493  11.166   1.794
  229    HA   PHE  28           HA       PHE  28   7.771  10.266   4.080
  230   1HB   PHE  28          2HB       PHE  28   9.734   8.813   2.341
  231   2HB   PHE  28          1HB       PHE  28   9.585   8.315   4.022
  232    HD1  PHE  28           1HD      PHE  28   8.406   7.641   0.828
  233    HD2  PHE  28           2HD      PHE  28   6.963   8.259   4.828
  234    HE1  PHE  28           1HE      PHE  28   6.345   6.377   0.281
  235    HE2  PHE  28           2HE      PHE  28   4.902   6.997   4.279
  236    HZ   PHE  28           HZ       PHE  28   4.593   6.055   2.006
  237    H    ASP  29           H        ASP  29  11.018  11.253   3.056
  238    HA   ASP  29           HA       ASP  29  12.712  12.298   4.301
  239   1HB   ASP  29          2HB       ASP  29  11.035  12.238   6.792
  240   2HB   ASP  29          1HB       ASP  29  12.137  13.488   6.214
  241    H    CYS  30           H        CYS  30  12.480   9.415   4.098
  242    HA   CYS  30           HA       CYS  30  13.403   7.478   5.049
  243   1HB   CYS  30          2HB       CYS  30  15.408   8.946   4.970
  244   2HB   CYS  30          1HB       CYS  30  15.025   9.527   6.589
  245    H    LYS  31           H        LYS  31  11.124   7.431   6.164
  246    HA   LYS  31           HA       LYS  31  10.947   8.116   8.962
  247   1HB   LYS  31          2HB       LYS  31   9.372   5.969   7.520
  248   2HB   LYS  31          1HB       LYS  31   8.891   6.843   8.965
  249   1HG   LYS  31          2HG       LYS  31   9.304   8.063   6.222
  250   2HG   LYS  31          1HG       LYS  31   7.743   7.713   6.954
  251   1HD   LYS  31          2HD       LYS  31   9.800   9.730   7.888
  252   2HD   LYS  31          1HD       LYS  31   8.179  10.053   7.283
  253   1HE   LYS  31          2HE       LYS  31   8.987   8.875   9.934
  254   2HE   LYS  31          1HE       LYS  31   7.910  10.230   9.607
  255   1HZ   LYS  31          1HZ       LYS  31   7.345   7.402   9.647
  256   2HZ   LYS  31          2HZ       LYS  31   6.696   8.217   8.306
  257   3HZ   LYS  31          3HZ       LYS  31   6.305   8.720   9.880
  258    H    LYS  32           H        LYS  32   9.806   5.309   9.508
  259    HA   LYS  32           HA       LYS  32  12.377   3.844   9.929
  260   1HB   LYS  32          2HB       LYS  32  12.097   4.664  12.091
  261   2HB   LYS  32          1HB       LYS  32  10.341   4.727  11.951
  262   1HG   LYS  32          2HG       LYS  32  10.109   2.404  12.306
  263   2HG   LYS  32          1HG       LYS  32  11.807   2.091  11.947
  264   1HD   LYS  32          2HD       LYS  32  12.475   3.275  13.997
  265   2HD   LYS  32          1HD       LYS  32  10.783   3.627  14.353
  266   1HE   LYS  32          2HE       LYS  32  10.368   1.123  14.321
  267   2HE   LYS  32          1HE       LYS  32  12.118   0.912  14.261
  268   1HZ   LYS  32          1HZ       LYS  32  12.076   1.073  16.460
  269   2HZ   LYS  32          2HZ       LYS  32  10.453   1.575  16.477
  270   3HZ   LYS  32          3HZ       LYS  32  11.697   2.716  16.275
  271    H    THR  33           H        THR  33   8.864   3.790   9.618
  272    HA   THR  33           HA       THR  33   9.051   0.916   8.804
  273    HB   THR  33           HB       THR  33   6.754   2.158  10.349
  274    HG1  THR  33           1HG      THR  33   9.102   0.915  11.124
  275   1HG2  THR  33          1HG2      THR  33   6.102   0.295   8.905
  276   2HG2  THR  33          2HG2      THR  33   6.061  -0.216  10.592
  277   3HG2  THR  33          3HG2      THR  33   7.407  -0.694   9.558
  278    H    ASN  34           H        ASN  34   7.817   0.413   6.956
  279    HA   ASN  34           HA       ASN  34   5.925   2.429   5.921
  280   1HB   ASN  34          2HB       ASN  34   8.474   2.784   5.167
  281   2HB   ASN  34          1HB       ASN  34   8.025   1.560   3.984
  282   1HD2  ASN  34          1HD2      ASN  34   5.117   2.653   4.186
  283   2HD2  ASN  34          2HD2      ASN  34   5.145   4.032   3.198
  284    H    THR  35           H        THR  35   4.492   1.568   4.391
  285    HA   THR  35           HA       THR  35   4.861  -1.274   3.587
  286    HB   THR  35           HB       THR  35   2.321  -0.175   4.832
  287    HG1  THR  35           1HG      THR  35   3.291  -2.207   6.171
  288   1HG2  THR  35          1HG2      THR  35   1.849  -1.874   3.168
  289   2HG2  THR  35          2HG2      THR  35   1.656  -2.593   4.767
  290   3HG2  THR  35          3HG2      THR  35   3.108  -2.921   3.822
  291    H    PHE  36           H        PHE  36   3.597  -1.828   1.682
  292    HA   PHE  36           HA       PHE  36   2.075   0.344   0.385
  293   1HB   PHE  36          2HB       PHE  36   4.106  -0.849  -1.427
  294   2HB   PHE  36          1HB       PHE  36   3.473   0.788  -1.384
  295    HD1  PHE  36           1HD      PHE  36   4.909   2.485  -0.691
  296    HD2  PHE  36           2HD      PHE  36   5.556  -1.513   0.720
  297    HE1  PHE  36           1HE      PHE  36   6.979   3.224   0.456
  298    HE2  PHE  36           2HE      PHE  36   7.621  -0.779   1.872
  299    HZ   PHE  36           HZ       PHE  36   8.338   1.591   1.733
  300    H    ILE  37           H        ILE  37   1.352  -0.623  -1.926
  301    HA   ILE  37           HA       ILE  37   0.764  -3.529  -1.516
  302    HB   ILE  37           HB       ILE  37  -1.081  -1.448  -2.703
  303   1HG1  ILE  37          2HG1      ILE  37  -1.718  -2.876  -0.152
  304   2HG1  ILE  37          1HG1      ILE  37  -0.512  -1.598  -0.060
  305   1HG2  ILE  37          1HG2      ILE  37  -2.747  -3.351  -2.397
  306   2HG2  ILE  37          2HG2      ILE  37  -1.359  -4.399  -2.101
  307   3HG2  ILE  37          3HG2      ILE  37  -1.540  -3.593  -3.660
  308   1HD1  ILE  37          1HD1      ILE  37  -2.028   0.059  -0.505
  309   2HD1  ILE  37          2HD1      ILE  37  -3.148  -1.116   0.178
  310   3HD1  ILE  37          3HD1      ILE  37  -2.997  -0.958  -1.572
  311    H    TYR  38           H        TYR  38   1.144  -4.839  -3.246
  312    HA   TYR  38           HA       TYR  38   2.206  -3.526  -5.703
  313   1HB   TYR  38          2HB       TYR  38   3.588  -5.299  -4.706
  314   2HB   TYR  38          1HB       TYR  38   2.240  -6.428  -4.818
  315    HD1  TYR  38           1HD      TYR  38   4.002  -3.987  -7.073
  316    HD2  TYR  38           2HD      TYR  38   2.300  -7.906  -6.613
  317    HE1  TYR  38           1HE      TYR  38   4.646  -4.542  -9.402
  318    HE2  TYR  38           2HE      TYR  38   2.947  -8.460  -8.941
  319    HH   TYR  38           HH       TYR  38   4.298  -7.798 -10.678
  320    H    ALA  39           H        ALA  39   0.373  -2.934  -6.887
  321    HA   ALA  39           HA       ALA  39  -1.119  -5.140  -8.124
  322   1HB   ALA  39          1HB       ALA  39  -2.683  -2.988  -6.682
  323   2HB   ALA  39          2HB       ALA  39  -2.331  -4.555  -5.951
  324   3HB   ALA  39          3HB       ALA  39  -3.303  -4.465  -7.420
  325    H    LEU  40           H        LEU  40  -2.396  -4.369  -9.978
  326    HA   LEU  40           HA       LEU  40  -1.202  -1.920 -11.124
  327   1HB   LEU  40          2HB       LEU  40  -1.553  -2.859 -13.184
  328   2HB   LEU  40          1HB       LEU  40  -1.568  -4.335 -12.230
  329    HG   LEU  40           HG       LEU  40  -4.180  -3.724 -12.035
  330   1HD1  LEU  40          1HD1      LEU  40  -5.026  -2.634 -13.969
  331   2HD1  LEU  40          2HD1      LEU  40  -3.479  -2.743 -14.804
  332   3HD1  LEU  40          3HD1      LEU  40  -3.674  -1.629 -13.457
  333   1HD2  LEU  40          1HD2      LEU  40  -2.785  -5.055 -14.374
  334   2HD2  LEU  40          2HD2      LEU  40  -4.516  -5.179 -14.062
  335   3HD2  LEU  40          3HD2      LEU  40  -3.361  -5.835 -12.900
  336    HA   PRO  41           HA       PRO  41  -4.396   1.002 -10.408
  337   1HB   PRO  41          2HB       PRO  41  -4.757   1.105 -13.372
  338   2HB   PRO  41          1HB       PRO  41  -4.500   2.427 -12.220
  339   1HG   PRO  41          2HG       PRO  41  -2.563   1.364 -13.851
  340   2HG   PRO  41          1HG       PRO  41  -2.254   2.267 -12.364
  341   1HD   PRO  41          2HD       PRO  41  -1.753  -0.538 -12.881
  342   2HD   PRO  41          1HD       PRO  41  -1.382   0.391 -11.413
  343    H    GLY  42           H        GLY  42  -5.284  -1.002 -13.243
  344   1HA   GLY  42          2HA       GLY  42  -8.069  -0.868 -12.965
  345   2HA   GLY  42          1HA       GLY  42  -7.236  -2.262 -13.650
  346    H    ARG  43           H        ARG  43  -5.916  -3.341 -11.540
  347    HA   ARG  43           HA       ARG  43  -7.951  -4.721 -10.106
  348   1HB   ARG  43          2HB       ARG  43  -4.971  -4.465  -9.672
  349   2HB   ARG  43          1HB       ARG  43  -5.993  -5.491  -8.664
  350   1HG   ARG  43          2HG       ARG  43  -6.791  -6.640 -10.750
  351   2HG   ARG  43          1HG       ARG  43  -5.608  -5.703 -11.663
  352   1HD   ARG  43          2HD       ARG  43  -4.628  -7.860 -11.147
  353   2HD   ARG  43          1HD       ARG  43  -3.815  -6.636 -10.171
  354    HE   ARG  43           HE       ARG  43  -4.733  -7.645  -8.241
  355   1HH1  ARG  43          1HH2      ARG  43  -6.314  -8.660 -11.132
  356   2HH1  ARG  43          2HH2      ARG  43  -7.260  -9.878 -10.344
  357   1HH2  ARG  43          1HH1      ARG  43  -5.960  -9.230  -7.196
  358   2HH2  ARG  43          2HH1      ARG  43  -7.060 -10.200  -8.115
  359    H    VAL  44           H        VAL  44  -6.107  -1.814  -9.340
  360    HA   VAL  44           HA       VAL  44  -6.881  -1.805  -6.532
  361    HB   VAL  44           HB       VAL  44  -5.870   0.480  -8.251
  362   1HG1  VAL  44          1HG1      VAL  44  -6.202   0.047  -5.281
  363   2HG1  VAL  44          2HG1      VAL  44  -6.750   1.407  -6.259
  364   3HG1  VAL  44          3HG1      VAL  44  -5.034   1.207  -5.911
  365   1HG2  VAL  44          1HG2      VAL  44  -3.663  -0.139  -7.578
  366   2HG2  VAL  44          2HG2      VAL  44  -4.425  -1.636  -8.113
  367   3HG2  VAL  44          3HG2      VAL  44  -4.272  -1.292  -6.391
  368    H    LYS  45           H        LYS  45  -7.804   0.318  -9.279
  369    HA   LYS  45           HA       LYS  45  -9.974   1.553  -7.882
  370   1HB   LYS  45          2HB       LYS  45 -10.704   2.351 -10.050
  371   2HB   LYS  45          1HB       LYS  45  -8.941   2.395 -10.028
  372   1HG   LYS  45          2HG       LYS  45  -9.041   0.042 -11.069
  373   2HG   LYS  45          1HG       LYS  45 -10.742   0.386 -11.388
  374   1HD   LYS  45          2HD       LYS  45  -8.366   2.001 -12.361
  375   2HD   LYS  45          1HD       LYS  45  -9.426   0.996 -13.349
  376   1HE   LYS  45          2HE       LYS  45 -10.086   3.583 -11.939
  377   2HE   LYS  45          1HE       LYS  45 -10.248   3.200 -13.652
  378   1HZ   LYS  45          1HZ       LYS  45 -11.882   2.195 -11.399
  379   2HZ   LYS  45          2HZ       LYS  45 -11.895   1.457 -12.929
  380   3HZ   LYS  45          3HZ       LYS  45 -12.397   3.072 -12.755
  381    H    ALA  46           H        ALA  46  -9.577  -1.537  -9.315
  382    HA   ALA  46           HA       ALA  46 -12.437  -2.088  -9.643
  383   1HB   ALA  46          1HB       ALA  46  -9.968  -3.844  -9.764
  384   2HB   ALA  46          2HB       ALA  46 -10.877  -3.209 -11.134
  385   3HB   ALA  46          3HB       ALA  46 -11.599  -4.427 -10.084
  386    H    LEU  47           H        LEU  47  -9.979  -2.436  -7.193
  387    HA   LEU  47           HA       LEU  47 -11.279  -4.442  -5.601
  388   1HB   LEU  47          2HB       LEU  47  -8.855  -3.179  -5.501
  389   2HB   LEU  47          1HB       LEU  47  -9.692  -2.381  -4.172
  390    HG   LEU  47           HG       LEU  47  -9.436  -5.384  -4.523
  391   1HD1  LEU  47          1HD1      LEU  47  -7.329  -4.081  -3.916
  392   2HD1  LEU  47          2HD1      LEU  47  -7.821  -5.317  -2.757
  393   3HD1  LEU  47          3HD1      LEU  47  -8.154  -3.616  -2.428
  394   1HD2  LEU  47          1HD2      LEU  47 -10.750  -3.614  -2.455
  395   2HD2  LEU  47          2HD2      LEU  47 -10.243  -5.258  -2.070
  396   3HD2  LEU  47          3HD2      LEU  47 -11.446  -4.978  -3.328
  397    H    CYS  48           H        CYS  48 -12.098  -1.191  -6.242
  398    HA   CYS  48           HA       CYS  48 -14.090  -1.277  -4.024
  399   1HB   CYS  48          2HB       CYS  48 -12.352   1.109  -4.738
  400   2HB   CYS  48          1HB       CYS  48 -13.712   1.152  -3.618
  401    H    LYS  49           H        LYS  49 -14.713  -1.980  -6.615
  402    HA   LYS  49           HA       LYS  49 -15.863   0.457  -7.880
  403   1HB   LYS  49          2HB       LYS  49 -16.187  -0.911  -9.838
  404   2HB   LYS  49          1HB       LYS  49 -14.558  -1.224  -9.239
  405   1HG   LYS  49          2HG       LYS  49 -15.541  -3.200  -7.964
  406   2HG   LYS  49          1HG       LYS  49 -17.015  -2.958  -8.902
  407   1HD   LYS  49          2HD       LYS  49 -15.523  -3.064 -10.986
  408   2HD   LYS  49          1HD       LYS  49 -14.262  -3.682  -9.917
  409   1HE   LYS  49          2HE       LYS  49 -15.865  -5.473  -9.175
  410   2HE   LYS  49          1HE       LYS  49 -16.987  -4.912 -10.414
  411   1HZ   LYS  49          1HZ       LYS  49 -15.591  -6.774 -11.157
  412   2HZ   LYS  49          2HZ       LYS  49 -14.207  -5.815 -10.935
  413   3HZ   LYS  49          3HZ       LYS  49 -15.365  -5.383 -12.100
  414    H    ASN  50           H        ASN  50 -18.123   0.517  -8.427
  415    HA   ASN  50           HA       ASN  50 -20.400   0.232  -7.964
  416   1HB   ASN  50          2HB       ASN  50 -19.702  -2.614  -7.223
  417   2HB   ASN  50          1HB       ASN  50 -21.223  -2.002  -7.871
  418   1HD2  ASN  50          1HD2      ASN  50 -19.988  -0.279  -9.912
  419   2HD2  ASN  50          2HD2      ASN  50 -19.338  -1.310 -11.093
  420    H    ILE  51           H        ILE  51 -18.048   0.051  -5.624
  421    HA   ILE  51           HA       ILE  51 -19.643  -0.757  -3.347
  422    HB   ILE  51           HB       ILE  51 -17.135   0.945  -3.485
  423   1HG1  ILE  51          2HG1      ILE  51 -16.767  -1.289  -4.403
  424   2HG1  ILE  51          1HG1      ILE  51 -16.013  -1.184  -2.813
  425   1HG2  ILE  51          1HG2      ILE  51 -18.687  -0.248  -1.201
  426   2HG2  ILE  51          2HG2      ILE  51 -17.999   1.369  -1.350
  427   3HG2  ILE  51          3HG2      ILE  51 -16.945  -0.014  -1.065
  428   1HD1  ILE  51          1HD1      ILE  51 -18.355  -2.110  -1.987
  429   2HD1  ILE  51          2HD1      ILE  51 -17.131  -3.208  -2.619
  430   3HD1  ILE  51          3HD1      ILE  51 -18.464  -2.691  -3.649
  431    H    ARG  52           H        ARG  52 -19.912   0.932  -1.495
  432    HA   ARG  52           HA       ARG  52 -21.517   3.144  -2.627
  433   1HB   ARG  52          2HB       ARG  52 -21.187   2.494   0.305
  434   2HB   ARG  52          1HB       ARG  52 -22.539   3.299  -0.493
  435   1HG   ARG  52          2HG       ARG  52 -23.040   1.186  -1.713
  436   2HG   ARG  52          1HG       ARG  52 -21.743   0.391  -0.818
  437   1HD   ARG  52          2HD       ARG  52 -22.967   1.195   1.308
  438   2HD   ARG  52          1HD       ARG  52 -24.341   1.503   0.245
  439    HE   ARG  52           HE       ARG  52 -23.648  -1.094  -0.368
  440   1HH1  ARG  52          1HH2      ARG  52 -24.270   0.672   2.527
  441   2HH1  ARG  52          2HH2      ARG  52 -24.897  -0.696   3.385
  442   1HH2  ARG  52          1HH1      ARG  52 -24.462  -2.890   0.735
  443   2HH2  ARG  52          2HH1      ARG  52 -25.005  -2.713   2.370
  444    H    ASP  53           H        ASP  53 -21.324   4.983  -0.525
  445    HA   ASP  53           HA       ASP  53 -19.053   6.534  -1.262
  446   1HB   ASP  53          2HB       ASP  53 -20.513   6.753   1.370
  447   2HB   ASP  53          1HB       ASP  53 -19.707   8.036   0.467
  448    H    ASN  54           H        ASN  54 -18.308   7.289   1.457
  449    HA   ASN  54           HA       ASN  54 -15.935   5.717   1.713
  450   1HB   ASN  54          2HB       ASN  54 -15.655   6.908   3.887
  451   2HB   ASN  54          1HB       ASN  54 -16.030   8.004   2.557
  452   1HD2  ASN  54          1HD2      ASN  54 -16.609   8.818   5.198
  453   2HD2  ASN  54          2HD2      ASN  54 -18.291   8.844   5.421
  454    H    THR  55           H        THR  55 -15.896   3.645   2.337
  455    HA   THR  55           HA       THR  55 -17.215   2.845   4.839
  456    HB   THR  55           HB       THR  55 -17.747   1.005   2.546
  457    HG1  THR  55           1HG      THR  55 -19.749   2.805   2.936
  458   1HG2  THR  55          1HG2      THR  55 -18.331   0.599   4.993
  459   2HG2  THR  55          2HG2      THR  55 -19.661   0.419   3.849
  460   3HG2  THR  55          3HG2      THR  55 -19.530   1.882   4.824
  461    H    ASP  56           H        ASP  56 -16.445   0.639   5.492
  462    HA   ASP  56           HA       ASP  56 -13.627   0.312   4.702
  463   1HB   ASP  56          2HB       ASP  56 -15.278  -1.248   6.711
  464   2HB   ASP  56          1HB       ASP  56 -13.522  -1.291   6.547
  465    H    VAL  57           H        VAL  57 -12.759  -1.639   3.833
  466    HA   VAL  57           HA       VAL  57 -14.695  -3.690   2.901
  467    HB   VAL  57           HB       VAL  57 -14.113  -3.524   0.626
  468   1HG1  VAL  57          1HG1      VAL  57 -14.524  -1.200   0.026
  469   2HG1  VAL  57          2HG1      VAL  57 -14.006  -0.662   1.623
  470   3HG1  VAL  57          3HG1      VAL  57 -15.488  -1.602   1.447
  471   1HG2  VAL  57          1HG2      VAL  57 -11.711  -2.001   1.643
  472   2HG2  VAL  57          2HG2      VAL  57 -12.200  -1.898  -0.048
  473   3HG2  VAL  57          3HG2      VAL  57 -11.747  -3.454   0.647
  474    H    LEU  58           H        LEU  58 -13.461  -5.622   1.997
  475    HA   LEU  58           HA       LEU  58 -10.761  -5.888   3.265
  476   1HB   LEU  58          2HB       LEU  58 -13.125  -7.147   4.119
  477   2HB   LEU  58          1HB       LEU  58 -12.303  -8.383   3.173
  478    HG   LEU  58           HG       LEU  58 -11.696  -8.436   5.592
  479   1HD1  LEU  58          1HD1      LEU  58  -9.513  -7.749   3.610
  480   2HD1  LEU  58          2HD1      LEU  58 -10.106  -9.352   4.042
  481   3HD1  LEU  58          3HD1      LEU  58  -9.204  -8.400   5.218
  482   1HD2  LEU  58          1HD2      LEU  58  -9.923  -6.095   5.410
  483   2HD2  LEU  58          2HD2      LEU  58 -10.968  -6.617   6.729
  484   3HD2  LEU  58          3HD2      LEU  58 -11.638  -5.679   5.397
  485    H    SER  59           H        SER  59  -9.245  -7.005   1.982
  486    HA   SER  59           HA       SER  59  -9.672  -7.145  -0.801
  487   1HB   SER  59          2HB       SER  59  -7.434  -7.365  -0.566
  488   2HB   SER  59          1HB       SER  59  -7.595  -8.022   1.055
  489    HG   SER  59           HG       SER  59  -8.108  -9.464  -1.337
  490    H    ARG  60           H        ARG  60  -9.769  -9.116  -2.182
  491    HA   ARG  60           HA       ARG  60 -12.010 -10.742  -1.470
  492   1HB   ARG  60          2HB       ARG  60 -11.076 -10.150  -3.816
  493   2HB   ARG  60          1HB       ARG  60  -9.988 -11.514  -3.570
  494   1HG   ARG  60          2HG       ARG  60 -11.762 -12.609  -4.585
  495   2HG   ARG  60          1HG       ARG  60 -12.247 -12.757  -2.896
  496   1HD   ARG  60          2HD       ARG  60 -14.182 -11.960  -4.027
  497   2HD   ARG  60          1HD       ARG  60 -13.504 -10.540  -3.233
  498    HE   ARG  60           HE       ARG  60 -12.331 -10.493  -5.734
  499   1HH1  ARG  60          1HH2      ARG  60 -15.541 -10.760  -4.504
  500   2HH1  ARG  60          2HH2      ARG  60 -16.269  -9.965  -5.859
  501   1HH2  ARG  60          1HH1      ARG  60 -13.263  -9.453  -7.511
  502   2HH2  ARG  60          2HH1      ARG  60 -14.980  -9.225  -7.562
  503    H    ASP  61           H        ASP  61  -8.508 -11.422  -1.467
  504    HA   ASP  61           HA       ASP  61  -9.009 -13.593   0.476
  505   1HB   ASP  61          2HB       ASP  61  -7.557 -15.158  -0.934
  506   2HB   ASP  61          1HB       ASP  61  -9.195 -14.879  -1.526
  507    H    ALA  62           H        ALA  62  -6.275 -12.700  -1.667
  508    HA   ALA  62           HA       ALA  62  -4.790 -11.768   0.728
  509   1HB   ALA  62          1HB       ALA  62  -2.960 -13.230   0.423
  510   2HB   ALA  62          2HB       ALA  62  -3.497 -13.703  -1.189
  511   3HB   ALA  62          3HB       ALA  62  -4.372 -14.270   0.233
  512    H    PHE  63           H        PHE  63  -2.805 -10.582   0.126
  513    HA   PHE  63           HA       PHE  63  -2.598  -9.754  -2.709
  514   1HB   PHE  63          2HB       PHE  63  -3.648  -8.058  -0.503
  515   2HB   PHE  63          1HB       PHE  63  -2.433  -7.297  -1.529
  516    HD1  PHE  63           1HD      PHE  63  -5.677  -9.136  -1.614
  517    HD2  PHE  63           2HD      PHE  63  -2.973  -6.538  -3.707
  518    HE1  PHE  63           1HE      PHE  63  -7.387  -8.777  -3.374
  519    HE2  PHE  63           2HE      PHE  63  -4.683  -6.179  -5.468
  520    HZ   PHE  63           HZ       PHE  63  -6.889  -7.299  -5.302
  521    H    LEU  64           H        LEU  64  -0.476  -9.524  -3.224
  522    HA   LEU  64           HA       LEU  64   1.538  -9.890  -1.137
  523   1HB   LEU  64          2HB       LEU  64   1.584 -10.827  -3.541
  524   2HB   LEU  64          1HB       LEU  64   2.063  -9.206  -4.035
  525    HG   LEU  64           HG       LEU  64   3.526 -10.735  -1.868
  526   1HD1  LEU  64          1HD1      LEU  64   3.799 -12.135  -3.757
  527   2HD1  LEU  64          2HD1      LEU  64   5.230 -11.104  -3.773
  528   3HD1  LEU  64          3HD1      LEU  64   3.888 -10.767  -4.866
  529   1HD2  LEU  64          1HD2      LEU  64   4.168  -8.485  -1.731
  530   2HD2  LEU  64          2HD2      LEU  64   3.991  -8.220  -3.465
  531   3HD2  LEU  64          3HD2      LEU  64   5.369  -9.127  -2.848
  532    H    LEU  65           H        LEU  65   2.109  -8.130   0.088
  533    HA   LEU  65           HA       LEU  65   2.422  -5.535  -1.358
  534   1HB   LEU  65          2HB       LEU  65   2.201  -4.993   1.411
  535   2HB   LEU  65          1HB       LEU  65   1.058  -4.586   0.148
  536    HG   LEU  65           HG       LEU  65   1.042  -7.335   1.350
  537   1HD1  LEU  65          1HD1      LEU  65  -0.235  -4.798   2.417
  538   2HD1  LEU  65          2HD1      LEU  65   0.944  -5.815   3.245
  539   3HD1  LEU  65          3HD1      LEU  65  -0.683  -6.424   2.938
  540   1HD2  LEU  65          1HD2      LEU  65  -1.060  -5.517   0.108
  541   2HD2  LEU  65          2HD2      LEU  65  -1.346  -7.161   0.675
  542   3HD2  LEU  65          3HD2      LEU  65  -0.282  -6.876  -0.699
  543    HA   PRO  66           HA       PRO  66   6.644  -5.918   0.083
  544   1HB   PRO  66          2HB       PRO  66   7.508  -3.449  -0.727
  545   2HB   PRO  66          1HB       PRO  66   7.291  -4.813  -1.839
  546   1HG   PRO  66          2HG       PRO  66   5.569  -2.448  -1.396
  547   2HG   PRO  66          1HG       PRO  66   5.865  -3.369  -2.875
  548   1HD   PRO  66          2HD       PRO  66   3.587  -3.597  -1.310
  549   2HD   PRO  66          1HD       PRO  66   4.161  -4.824  -2.462
  550    H    GLN  67           H        GLN  67   7.900  -5.009   1.893
  551    HA   GLN  67           HA       GLN  67   6.632  -2.748   3.335
  552   1HB   GLN  67          2HB       GLN  67   5.694  -5.033   4.115
  553   2HB   GLN  67          1HB       GLN  67   7.283  -5.283   4.837
  554   1HG   GLN  67          2HG       GLN  67   7.003  -3.055   6.001
  555   2HG   GLN  67          1HG       GLN  67   5.334  -3.043   5.431
  556   1HE2  GLN  67          1HE2      GLN  67   5.600  -6.200   5.754
  557   2HE2  GLN  67          2HE2      GLN  67   5.254  -6.418   7.401
  558    H    CYS  68           H        CYS  68   8.124  -1.464   4.315
  559    HA   CYS  68           HA       CYS  68  10.962  -2.415   4.304
  560   1HB   CYS  68          2HB       CYS  68   9.909   0.411   4.570
  561   2HB   CYS  68          1HB       CYS  68  11.578  -0.075   4.273
  562    H    ASP  69           H        ASP  69  11.912  -2.814   6.266
  563    HA   ASP  69           HA       ASP  69  10.645  -1.576   8.691
  564   1HB   ASP  69          2HB       ASP  69  10.238  -4.103   8.305
  565   2HB   ASP  69          1HB       ASP  69  11.942  -4.299   8.719
  566    H    ARG  70           H        ARG  70  12.055  -0.349   9.816
  567    HA   ARG  70           HA       ARG  70  14.856  -0.206   9.137
  568   1HB   ARG  70          2HB       ARG  70  13.301   1.590  10.230
  569   2HB   ARG  70          1HB       ARG  70  13.730   0.797  11.745
  570   1HG   ARG  70          2HG       ARG  70  16.183   1.040  10.929
  571   2HG   ARG  70          1HG       ARG  70  15.531   2.217   9.788
  572   1HD   ARG  70          2HD       ARG  70  16.194   3.472  11.712
  573   2HD   ARG  70          1HD       ARG  70  14.436   3.356  11.792
  574    HE   ARG  70           HE       ARG  70  15.752   1.201  13.236
  575   1HH1  ARG  70          1HH2      ARG  70  14.719   4.490  13.288
  576   2HH1  ARG  70          2HH2      ARG  70  14.566   4.554  15.012
  577   1HH2  ARG  70          1HH1      ARG  70  15.558   1.265  15.487
  578   2HH2  ARG  70          2HH1      ARG  70  15.040   2.729  16.258
  579    H    ILE  71           H        ILE  71  16.594  -1.238  10.082
  580    HA   ILE  71           HA       ILE  71  16.046  -2.963  12.467
  581    HB   ILE  71           HB       ILE  71  17.655  -3.667   9.994
  582   1HG1  ILE  71          2HG1      ILE  71  15.026  -3.839  10.104
  583   2HG1  ILE  71          1HG1      ILE  71  15.960  -5.180   9.450
  584   1HG2  ILE  71          1HG2      ILE  71  17.377  -4.999  12.690
  585   2HG2  ILE  71          2HG2      ILE  71  18.852  -4.607  11.805
  586   3HG2  ILE  71          3HG2      ILE  71  17.813  -5.918  11.248
  587   1HD1  ILE  71          1HD1      ILE  71  14.110  -5.671  11.238
  588   2HD1  ILE  71          2HD1      ILE  71  15.318  -5.105  12.389
  589   3HD1  ILE  71          3HD1      ILE  71  15.663  -6.495  11.362
  590    H    LYS  72           H        LYS  72  18.408  -1.123  10.576
  591    HA   LYS  72           HA       LYS  72  19.870  -0.517  13.053
  592   1HB   LYS  72          2HB       LYS  72  20.780  -2.731  12.116
  593   2HB   LYS  72          1HB       LYS  72  21.401  -1.779  10.770
  594   1HG   LYS  72          2HG       LYS  72  22.841  -0.524  12.172
  595   2HG   LYS  72          1HG       LYS  72  21.998  -1.028  13.635
  596   1HD   LYS  72          2HD       LYS  72  23.245  -3.141  11.910
  597   2HD   LYS  72          1HD       LYS  72  24.296  -2.164  12.934
  598   1HE   LYS  72          2HE       LYS  72  23.173  -2.854  14.921
  599   2HE   LYS  72          1HE       LYS  72  21.826  -3.538  14.011
  600   1HZ   LYS  72          1HZ       LYS  72  24.255  -4.694  13.156
  601   2HZ   LYS  72          2HZ       LYS  72  22.901  -5.449  13.849
  602   3HZ   LYS  72          3HZ       LYS  72  24.132  -4.830  14.841
  603    H    LEU  73           H        LEU  73  21.847   0.951  12.415
  604    HA   LEU  73           HA       LEU  73  22.552   2.953  11.426
  605   1HB   LEU  73          2HB       LEU  73  21.073   2.080   8.933
  606   2HB   LEU  73          1HB       LEU  73  22.533   3.056   9.048
  607    HG   LEU  73           HG       LEU  73  22.348   0.133   9.822
  608   1HD1  LEU  73          1HD1      LEU  73  23.918  -0.070   7.814
  609   2HD1  LEU  73          2HD1      LEU  73  23.406   1.561   7.378
  610   3HD1  LEU  73          3HD1      LEU  73  22.224   0.253   7.445
  611   1HD2  LEU  73          1HD2      LEU  73  24.041   1.184  11.147
  612   2HD2  LEU  73          2HD2      LEU  73  24.590   2.166   9.789
  613   3HD2  LEU  73          3HD2      LEU  73  24.893   0.428   9.800
  614    HA   PRO  74           HA       PRO  74  18.963   5.573  11.568
  615   1HB   PRO  74          2HB       PRO  74  19.806   7.844  10.315
  616   2HB   PRO  74          1HB       PRO  74  20.467   7.294  11.865
  617   1HG   PRO  74          2HG       PRO  74  21.714   7.314   9.220
  618   2HG   PRO  74          1HG       PRO  74  22.462   7.179  10.817
  619   1HD   PRO  74          2HD       PRO  74  21.864   5.056   8.925
  620   2HD   PRO  74          1HD       PRO  74  22.733   4.939  10.471
  621    H    CYS  75           H        CYS  75  20.006   4.693   8.389
  622    HA   CYS  75           HA       CYS  75  17.264   5.161   7.386
  623   1HB   CYS  75          2HB       CYS  75  18.954   7.151   6.896
  624   2HB   CYS  75          1HB       CYS  75  19.495   6.079   5.607
  625    H    HIS  76           H        HIS  76  17.798   2.717   7.804
  626    HA   HIS  76           HA       HIS  76  18.395   1.541   5.159
  627   1HB   HIS  76          2HB       HIS  76  20.568   1.571   6.429
  628   2HB   HIS  76          1HB       HIS  76  19.801   0.576   7.668
  629    HD1  HIS  76           1HD      HIS  76  20.641  -1.753   7.344
  630    HD2  HIS  76           2HD      HIS  76  19.733   0.076   3.705
  631    HE1  HIS  76           1HE      HIS  76  20.979  -3.513   5.551
  632    HE2  HIS  76           2HE      HIS  76  20.431  -2.410   3.334
  633    H    TYR  77           H        TYR  77  16.617   0.292   4.811
  634    HA   TYR  77           HA       TYR  77  15.418  -1.122   7.167
  635   1HB   TYR  77          2HB       TYR  77  13.757  -0.729   4.742
  636   2HB   TYR  77          1HB       TYR  77  13.319  -0.577   6.443
  637    HD1  TYR  77           1HD      TYR  77  13.275   1.543   7.508
  638    HD2  TYR  77           2HD      TYR  77  15.144   1.114   3.665
  639    HE1  TYR  77           1HE      TYR  77  13.488   4.008   7.336
  640    HE2  TYR  77           2HE      TYR  77  15.356   3.580   3.494
  641    HH   TYR  77           HH       TYR  77  13.691   5.677   5.072
  642    H    LYS  78           H        LYS  78  14.233  -3.153   6.530
  643    HA   LYS  78           HA       LYS  78  15.844  -4.650   4.503
  644   1HB   LYS  78          2HB       LYS  78  15.288  -6.657   5.735
  645   2HB   LYS  78          1HB       LYS  78  15.871  -5.462   6.892
  646   1HG   LYS  78          2HG       LYS  78  13.959  -5.955   8.037
  647   2HG   LYS  78          1HG       LYS  78  13.190  -4.889   6.866
  648   1HD   LYS  78          2HD       LYS  78  11.867  -6.809   6.696
  649   2HD   LYS  78          1HD       LYS  78  13.028  -7.065   5.394
  650   1HE   LYS  78          2HE       LYS  78  14.392  -8.486   6.852
  651   2HE   LYS  78          1HE       LYS  78  13.296  -8.185   8.200
  652   1HZ   LYS  78          1HZ       LYS  78  12.602  -9.526   5.643
  653   2HZ   LYS  78          2HZ       LYS  78  11.507  -9.189   6.899
  654   3HZ   LYS  78          3HZ       LYS  78  12.784 -10.281   7.150
  655    H    LEU  79           H        LEU  79  14.674  -6.115   3.096
  656    HA   LEU  79           HA       LEU  79  12.014  -5.063   2.371
  657   1HB   LEU  79          2HB       LEU  79  14.063  -5.755   0.803
  658   2HB   LEU  79          1HB       LEU  79  13.309  -7.342   0.914
  659    HG   LEU  79           HG       LEU  79  12.412  -6.214  -1.031
  660   1HD1  LEU  79          1HD1      LEU  79  10.107  -6.466  -0.600
  661   2HD1  LEU  79          2HD1      LEU  79  10.266  -5.913   1.066
  662   3HD1  LEU  79          3HD1      LEU  79  10.877  -7.501   0.602
  663   1HD2  LEU  79          1HD2      LEU  79  12.890  -3.875   0.237
  664   2HD2  LEU  79          2HD2      LEU  79  11.159  -4.013   0.548
  665   3HD2  LEU  79          3HD2      LEU  79  11.760  -4.012  -1.108
  666    H    SER  80           H        SER  80  10.165  -6.052   2.980
  667    HA   SER  80           HA       SER  80  10.145  -8.980   3.460
  668   1HB   SER  80          2HB       SER  80  10.439  -8.385   5.700
  669   2HB   SER  80          1HB       SER  80   9.601  -6.848   5.505
  670    HG   SER  80           HG       SER  80   8.576  -9.443   5.820
  671    H    SER  81           H        SER  81   8.415  -9.749   2.334
  672    HA   SER  81           HA       SER  81   5.951  -8.066   2.201
  673   1HB   SER  81          2HB       SER  81   6.774  -9.615  -0.227
  674   2HB   SER  81          1HB       SER  81   5.826  -8.134  -0.112
  675    HG   SER  81           HG       SER  81   8.297  -7.761   0.888
  676    H    SER  82           H        SER  82   4.013  -9.343   1.652
  677    HA   SER  82           HA       SER  82   4.175 -12.252   1.640
  678   1HB   SER  82          2HB       SER  82   4.528 -11.751   4.060
  679   2HB   SER  82          1HB       SER  82   2.997 -10.881   4.079
  680    HG   SER  82           HG       SER  82   3.353 -13.427   4.469
  681    H    THR  83           H        THR  83   1.951 -13.206   1.566
  682    HA   THR  83           HA       THR  83   0.114 -11.299   0.225
  683    HB   THR  83           HB       THR  83  -0.822 -13.815  -0.301
  684    HG1  THR  83           1HG      THR  83   1.132 -14.513   0.895
  685   1HG2  THR  83          1HG2      THR  83  -0.355 -12.055  -1.949
  686   2HG2  THR  83          2HG2      THR  83   0.370 -13.580  -2.457
  687   3HG2  THR  83          3HG2      THR  83   1.376 -12.318  -1.743
  688    H    ASN  84           H        ASN  84  -1.573 -10.637   1.441
  689    HA   ASN  84           HA       ASN  84  -3.148 -12.570   2.974
  690   1HB   ASN  84          2HB       ASN  84  -2.896 -11.480   5.141
  691   2HB   ASN  84          1HB       ASN  84  -1.304 -11.970   4.559
  692   1HD2  ASN  84          1HD2      ASN  84  -3.467  -9.094   4.158
  693   2HD2  ASN  84          2HD2      ASN  84  -2.224  -7.956   4.370
  694    H    THR  85           H        THR  85  -5.197 -11.600   3.695
  695    HA   THR  85           HA       THR  85  -6.155  -9.584   1.872
  696    HB   THR  85           HB       THR  85  -7.853  -9.929   4.209
  697    HG1  THR  85           1HG      THR  85  -7.399 -12.360   2.947
  698   1HG2  THR  85          1HG2      THR  85  -9.297 -11.064   2.435
  699   2HG2  THR  85          2HG2      THR  85  -8.000 -10.720   1.296
  700   3HG2  THR  85          3HG2      THR  85  -8.840  -9.398   2.104
  701    H    ILE  86           H        ILE  86  -6.963  -7.433   2.524
  702    HA   ILE  86           HA       ILE  86  -5.801  -6.393   5.064
  703    HB   ILE  86           HB       ILE  86  -4.424  -4.876   4.039
  704   1HG1  ILE  86          2HG1      ILE  86  -6.547  -4.703   1.877
  705   2HG1  ILE  86          1HG1      ILE  86  -6.145  -3.490   3.093
  706   1HG2  ILE  86          1HG2      ILE  86  -3.897  -7.110   3.008
  707   2HG2  ILE  86          2HG2      ILE  86  -3.425  -5.740   2.008
  708   3HG2  ILE  86          3HG2      ILE  86  -4.886  -6.648   1.623
  709   1HD1  ILE  86          1HD1      ILE  86  -4.515  -4.335   0.697
  710   2HD1  ILE  86          2HD1      ILE  86  -3.803  -3.448   2.045
  711   3HD1  ILE  86          3HD1      ILE  86  -5.106  -2.724   1.102
  712    H    CYS  87           H        CYS  87  -6.718  -4.154   5.550
  713    HA   CYS  87           HA       CYS  87  -9.529  -3.988   4.536
  714   1HB   CYS  87          2HB       CYS  87  -9.708  -4.442   6.843
  715   2HB   CYS  87          1HB       CYS  87  -8.315  -3.448   7.244
  716    H    ILE  88           H        ILE  88 -10.121  -2.084   3.584
  717    HA   ILE  88           HA       ILE  88  -8.506   0.350   4.055
  718    HB   ILE  88           HB       ILE  88  -7.279  -0.018   2.174
  719   1HG1  ILE  88          2HG1      ILE  88  -9.888   0.288   0.655
  720   2HG1  ILE  88          1HG1      ILE  88  -9.022   1.643   1.377
  721   1HG2  ILE  88          1HG2      ILE  88  -7.880  -1.753   0.491
  722   2HG2  ILE  88          2HG2      ILE  88  -9.395  -2.024   1.352
  723   3HG2  ILE  88          3HG2      ILE  88  -7.860  -2.380   2.137
  724   1HD1  ILE  88          1HD1      ILE  88  -7.643   1.741  -0.391
  725   2HD1  ILE  88          2HD1      ILE  88  -8.552   0.436  -1.150
  726   3HD1  ILE  88          3HD1      ILE  88  -7.157   0.065  -0.141
  727    H    THR  89           H        THR  89  -9.643   2.295   3.252
  728    HA   THR  89           HA       THR  89 -12.582   1.784   3.031
  729    HB   THR  89           HB       THR  89 -10.962   3.796   4.478
  730    HG1  THR  89           1HG      THR  89 -12.363   3.288   5.973
  731   1HG2  THR  89          1HG2      THR  89 -11.945   5.352   2.941
  732   2HG2  THR  89          2HG2      THR  89 -12.926   5.415   4.404
  733   3HG2  THR  89          3HG2      THR  89 -13.500   4.521   2.997
  734    H    CYS  90           H        CYS  90 -13.651   2.495   1.256
  735    HA   CYS  90           HA       CYS  90 -12.201   4.310  -0.640
  736   1HB   CYS  90          2HB       CYS  90 -14.030   2.070  -1.520
  737   2HB   CYS  90          1HB       CYS  90 -12.905   3.007  -2.504
  738    H    VAL  91           H        VAL  91 -13.603   5.694  -1.885
  739    HA   VAL  91           HA       VAL  91 -16.086   6.371  -0.475
  740    HB   VAL  91           HB       VAL  91 -16.150   8.300  -1.994
  741   1HG1  VAL  91          1HG1      VAL  91 -13.306   7.830  -1.066
  742   2HG1  VAL  91          2HG1      VAL  91 -14.625   8.247   0.027
  743   3HG1  VAL  91          3HG1      VAL  91 -14.136   9.377  -1.235
  744   1HG2  VAL  91          1HG2      VAL  91 -14.140   8.518  -3.583
  745   2HG2  VAL  91          2HG2      VAL  91 -15.403   7.388  -4.068
  746   3HG2  VAL  91          3HG2      VAL  91 -13.909   6.786  -3.351
  747    H    ASN  92           H        ASN  92 -17.326   7.391  -2.989
  748    HA   ASN  92           HA       ASN  92 -19.189   5.439  -3.546
  749   1HB   ASN  92          2HB       ASN  92 -18.975   7.874  -4.438
  750   2HB   ASN  92          1HB       ASN  92 -18.117   7.130  -5.786
  751   1HD2  ASN  92          1HD2      ASN  92 -19.717   7.295  -7.428
  752   2HD2  ASN  92          2HD2      ASN  92 -21.255   6.585  -7.312
  753    H    GLN  93           H        GLN  93 -16.002   5.729  -4.861
  754    HA   GLN  93           HA       GLN  93 -15.740   2.971  -5.481
  755   1HB   GLN  93          2HB       GLN  93 -15.691   3.286  -8.047
  756   2HB   GLN  93          1HB       GLN  93 -17.273   3.176  -7.277
  757   1HG   GLN  93          2HG       GLN  93 -17.624   5.519  -7.409
  758   2HG   GLN  93          1HG       GLN  93 -15.921   5.837  -7.742
  759   1HE2  GLN  93          1HE2      GLN  93 -15.135   4.609  -9.872
  760   2HE2  GLN  93          2HE2      GLN  93 -16.201   4.700 -11.190
  761    H    LEU  94           H        LEU  94 -14.095   4.763  -4.235
  762    HA   LEU  94           HA       LEU  94 -11.730   4.710  -6.005
  763   1HB   LEU  94          2HB       LEU  94 -13.201   7.070  -5.731
  764   2HB   LEU  94          1HB       LEU  94 -11.879   7.269  -4.586
  765    HG   LEU  94           HG       LEU  94 -10.350   6.469  -6.531
  766   1HD1  LEU  94          1HD1      LEU  94 -12.913   7.167  -7.985
  767   2HD1  LEU  94          2HD1      LEU  94 -11.981   5.673  -8.096
  768   3HD1  LEU  94          3HD1      LEU  94 -11.336   7.167  -8.774
  769   1HD2  LEU  94          1HD2      LEU  94 -10.169   8.765  -7.377
  770   2HD2  LEU  94          2HD2      LEU  94 -10.441   8.787  -5.636
  771   3HD2  LEU  94          3HD2      LEU  94 -11.769   9.143  -6.740
  772    HA   PRO  95           HA       PRO  95 -10.388   3.540  -1.839
  773   1HB   PRO  95          2HB       PRO  95  -7.977   2.498  -2.529
  774   2HB   PRO  95          1HB       PRO  95  -9.502   1.643  -2.837
  775   1HG   PRO  95          2HG       PRO  95  -7.795   3.200  -4.713
  776   2HG   PRO  95          1HG       PRO  95  -8.679   1.687  -4.979
  777   1HD   PRO  95          2HD       PRO  95  -9.582   4.170  -5.800
  778   2HD   PRO  95          1HD       PRO  95 -10.641   2.775  -5.492
  779    H    ILE  96           H        ILE  96  -9.494   4.978  -0.373
  780    HA   ILE  96           HA       ILE  96  -7.083   6.509  -1.208
  781    HB   ILE  96           HB       ILE  96  -8.044   8.618  -0.454
  782   1HG1  ILE  96          2HG1      ILE  96 -10.618   8.554  -0.030
  783   2HG1  ILE  96          1HG1      ILE  96 -10.374   6.837   0.285
  784   1HG2  ILE  96          1HG2      ILE  96  -8.489   7.611  -2.811
  785   2HG2  ILE  96          2HG2      ILE  96  -9.442   9.003  -2.305
  786   3HG2  ILE  96          3HG2      ILE  96 -10.139   7.384  -2.236
  787   1HD1  ILE  96          1HD1      ILE  96  -8.442   8.558   1.690
  788   2HD1  ILE  96          2HD1      ILE  96  -9.427   7.233   2.300
  789   3HD1  ILE  96          3HD1      ILE  96 -10.117   8.846   2.157
  790    H    HIS  97           H        HIS  97  -8.675   4.693   1.205
  791    HA   HIS  97           HA       HIS  97  -6.787   5.828   3.247
  792   1HB   HIS  97          2HB       HIS  97  -9.656   5.241   3.377
  793   2HB   HIS  97          1HB       HIS  97  -8.753   4.478   4.683
  794    HD1  HIS  97           1HD      HIS  97  -6.601   6.592   5.211
  795    HD2  HIS  97           2HD      HIS  97 -10.621   7.537   4.611
  796    HE1  HIS  97           1HE      HIS  97  -6.973   8.861   6.277
  797    HE2  HIS  97           2HE      HIS  97  -9.415   9.445   5.917
  798    H    PHE  98           H        PHE  98  -5.526   4.402   4.375
  799    HA   PHE  98           HA       PHE  98  -5.669   1.526   3.546
  800   1HB   PHE  98          2HB       PHE  98  -3.554   2.503   2.904
  801   2HB   PHE  98          1HB       PHE  98  -3.359   3.257   4.485
  802    HD1  PHE  98           1HD      PHE  98  -2.328   2.095   6.267
  803    HD2  PHE  98           2HD      PHE  98  -3.608  -0.052   2.775
  804    HE1  PHE  98           1HE      PHE  98  -1.177   0.062   7.097
  805    HE2  PHE  98           2HE      PHE  98  -2.458  -2.087   3.605
  806    HZ   PHE  98           HZ       PHE  98  -1.242  -2.029   5.765
  807    H    ALA  99           H        ALA  99  -6.963   0.640   5.147
  808    HA   ALA  99           HA       ALA  99  -7.006   1.465   7.874
  809   1HB   ALA  99          1HB       ALA  99  -8.564  -0.156   6.420
  810   2HB   ALA  99          2HB       ALA  99  -8.516  -0.250   8.180
  811   3HB   ALA  99          3HB       ALA  99  -7.580  -1.386   7.211
  812    H    GLY 100           H        GLY 100  -5.780  -1.731   6.813
  813   1HA   GLY 100          2HA       GLY 100  -3.207  -1.343   8.097
  814   2HA   GLY 100          1HA       GLY 100  -4.289  -2.329   9.081
  815    H    VAL 101           H        VAL 101  -3.523  -4.393   8.827
  816    HA   VAL 101           HA       VAL 101  -3.397  -5.455   6.036
  817    HB   VAL 101           HB       VAL 101  -1.426  -6.184   8.218
  818   1HG1  VAL 101          1HG1      VAL 101  -0.223  -7.271   6.412
  819   2HG1  VAL 101          2HG1      VAL 101  -1.363  -6.644   5.223
  820   3HG1  VAL 101          3HG1      VAL 101  -1.888  -7.851   6.397
  821   1HG2  VAL 101          1HG2      VAL 101  -1.033  -4.343   5.837
  822   2HG2  VAL 101          2HG2      VAL 101   0.195  -4.792   7.020
  823   3HG2  VAL 101          3HG2      VAL 101  -1.180  -3.803   7.510
  824    H    GLY 102           H        GLY 102  -3.985  -7.675   5.859
  825   1HA   GLY 102          2HA       GLY 102  -4.771  -9.783   6.664
  826   2HA   GLY 102          1HA       GLY 102  -4.764  -9.136   8.303
  827    H    SER 103           H        SER 103  -6.517  -7.573   8.839
  828    HA   SER 103           HA       SER 103  -8.775  -7.224   7.098
  829   1HB   SER 103          2HB       SER 103 -10.372  -8.670   8.333
  830   2HB   SER 103          1HB       SER 103  -9.110  -9.614   7.548
  831    HG   SER 103           HG       SER 103  -9.339 -10.305   9.670
  832    H    CYS 104           H        CYS 104 -10.224  -5.728   7.982
  833    HA   CYS 104           HA       CYS 104  -9.281  -4.063  10.088
  834   1HB   CYS 104          2HB       CYS 104 -11.618  -4.201   8.347
  835   2HB   CYS 104          1HB       CYS 104 -12.060  -3.659   9.965
  836    HA   PRO 105           HA       PRO 105 -10.654  -6.070  13.767
  837   1HB   PRO 105          2HB       PRO 105 -11.518  -3.977  15.309
  838   2HB   PRO 105          1HB       PRO 105  -9.806  -4.288  14.965
  839   1HG   PRO 105          2HG       PRO 105 -11.660  -2.324  13.705
  840   2HG   PRO 105          1HG       PRO 105  -9.957  -2.137  14.161
  841   1HD   PRO 105          2HD       PRO 105 -10.756  -2.602  11.584
  842   2HD   PRO 105          1HD       PRO 105  -9.186  -3.143  12.220
  Start of MODEL    3
    1    HN   PCA   1           H        PCA   1  -6.611   8.938   1.349
    2    HA   PCA   1           HA       PCA   1  -8.165  10.909   2.126
    3   1HB   PCA   1          1HB       PCA   1  -6.877  12.324   3.356
    4   2HB   PCA   1          2HB       PCA   1  -6.270  12.932   1.833
    5   1HG   PCA   1          1HG       PCA   1  -4.864  11.628   3.686
    6   2HG   PCA   1          2HG       PCA   1  -4.458  11.729   1.957
    7    H    ASP   2           H        ASP   2  -6.222   9.846  -0.346
    8    HA   ASP   2           HA       ASP   2  -7.920  11.102  -2.333
    9   1HB   ASP   2          2HB       ASP   2  -5.362  12.355  -1.626
   10   2HB   ASP   2          1HB       ASP   2  -5.439  11.922  -3.332
   11    H    TRP   3           H        TRP   3  -8.079   9.586  -3.934
   12    HA   TRP   3           HA       TRP   3  -6.659   7.155  -3.873
   13   1HB   TRP   3          2HB       TRP   3  -8.632   7.074  -5.119
   14   2HB   TRP   3          1HB       TRP   3  -8.265   8.564  -5.983
   15    HD1  TRP   3           HD       TRP   3  -8.157   7.856  -8.416
   16    HE1  TRP   3           1HE      TRP   3  -6.833   6.110  -9.769
   17    HE3  TRP   3           3HE      TRP   3  -5.917   5.267  -4.604
   18    HZ2  TRP   3           2HZ      TRP   3  -5.069   3.916  -9.307
   19    HZ3  TRP   3           3HZ      TRP   3  -4.425   3.361  -5.100
   20    HH2  TRP   3           HH       TRP   3  -3.997   2.679  -7.444
   21    H    GLU   4           H        GLU   4  -5.865  10.203  -5.432
   22    HA   GLU   4           HA       GLU   4  -3.787   9.264  -7.147
   23   1HB   GLU   4          2HB       GLU   4  -4.794  11.614  -7.067
   24   2HB   GLU   4          1HB       GLU   4  -3.752  11.910  -5.676
   25   1HG   GLU   4          2HG       GLU   4  -2.533  12.690  -7.578
   26   2HG   GLU   4          1HG       GLU   4  -1.805  11.144  -7.139
   27    H    THR   5           H        THR   5  -3.098  11.120  -4.171
   28    HA   THR   5           HA       THR   5  -0.487  10.176  -3.819
   29    HB   THR   5           HB       THR   5  -1.360  11.981  -2.446
   30    HG1  THR   5           1HG      THR   5  -0.037  11.381  -0.955
   31   1HG2  THR   5          1HG2      THR   5  -3.105  11.739  -0.875
   32   2HG2  THR   5          2HG2      THR   5  -2.992   9.981  -0.893
   33   3HG2  THR   5          3HG2      THR   5  -3.675  10.834  -2.276
   34    H    PHE   6           H        PHE   6  -3.489   8.790  -2.430
   35    HA   PHE   6           HA       PHE   6  -2.381   6.625  -1.054
   36   1HB   PHE   6          2HB       PHE   6  -4.861   7.291  -1.325
   37   2HB   PHE   6          1HB       PHE   6  -4.828   6.324  -2.798
   38    HD1  PHE   6           1HD      PHE   6  -5.215   4.015  -2.674
   39    HD2  PHE   6           2HD      PHE   6  -3.930   6.136   0.833
   40    HE1  PHE   6           1HE      PHE   6  -5.503   1.955  -1.323
   41    HE2  PHE   6           2HE      PHE   6  -4.218   4.078   2.182
   42    HZ   PHE   6           HZ       PHE   6  -5.006   1.986   1.105
   43    H    GLN   7           H        GLN   7  -2.509   7.217  -4.468
   44    HA   GLN   7           HA       GLN   7  -1.818   4.423  -5.133
   45   1HB   GLN   7          2HB       GLN   7  -3.341   5.865  -6.575
   46   2HB   GLN   7          1HB       GLN   7  -1.916   6.811  -6.995
   47   1HG   GLN   7          2HG       GLN   7  -1.938   3.813  -7.331
   48   2HG   GLN   7          1HG       GLN   7  -2.595   4.872  -8.577
   49   1HE2  GLN   7          1HE2      GLN   7  -0.717   7.050  -8.305
   50   2HE2  GLN   7          2HE2      GLN   7   0.805   6.494  -8.811
   51    H    LYS   8           H        LYS   8  -0.278   7.458  -4.497
   52    HA   LYS   8           HA       LYS   8   2.210   6.693  -5.883
   53   1HB   LYS   8          2HB       LYS   8   1.770   9.044  -4.036
   54   2HB   LYS   8          1HB       LYS   8   3.015   8.863  -5.270
   55   1HG   LYS   8          2HG       LYS   8   0.103   8.745  -6.041
   56   2HG   LYS   8          1HG       LYS   8   0.888  10.302  -5.807
   57   1HD   LYS   8          2HD       LYS   8   1.903   8.130  -7.667
   58   2HD   LYS   8          1HD       LYS   8   0.955   9.522  -8.182
   59   1HE   LYS   8          2HE       LYS   8   2.994  10.498  -8.495
   60   2HE   LYS   8          1HE       LYS   8   2.948  10.748  -6.751
   61   1HZ   LYS   8          1HZ       LYS   8   4.772   9.246  -8.188
   62   2HZ   LYS   8          2HZ       LYS   8   3.819   8.125  -7.338
   63   3HZ   LYS   8          3HZ       LYS   8   4.634   9.358  -6.501
   64    H    LYS   9           H        LYS   9   1.298   7.363  -2.465
   65    HA   LYS   9           HA       LYS   9   3.886   6.241  -1.608
   66   1HB   LYS   9          2HB       LYS   9   3.145   6.906   0.665
   67   2HB   LYS   9          1HB       LYS   9   3.089   8.242  -0.483
   68   1HG   LYS   9          2HG       LYS   9   0.611   7.539  -0.845
   69   2HG   LYS   9          1HG       LYS   9   0.800   6.651   0.667
   70   1HD   LYS   9          2HD       LYS   9   1.564   8.751   1.769
   71   2HD   LYS   9          1HD       LYS   9   1.258   9.621   0.266
   72   1HE   LYS   9          2HE       LYS   9  -0.730   8.293   2.103
   73   2HE   LYS   9          1HE       LYS   9  -0.718   9.954   1.512
   74   1HZ   LYS   9          1HZ       LYS   9  -1.207   9.172  -0.692
   75   2HZ   LYS   9          2HZ       LYS   9  -2.368   8.556   0.386
   76   3HZ   LYS   9          3HZ       LYS   9  -1.122   7.555  -0.188
   77    H    HIS  10           H        HIS  10   0.439   5.492  -0.862
   78    HA   HIS  10           HA       HIS  10   1.114   3.094   0.583
   79   1HB   HIS  10          2HB       HIS  10  -1.443   4.097  -0.663
   80   2HB   HIS  10          1HB       HIS  10  -1.356   2.527   0.134
   81    HD1  HIS  10           1HD      HIS  10  -0.739   2.534   2.710
   82    HD2  HIS  10           2HD      HIS  10  -1.481   6.304   1.085
   83    HE1  HIS  10           1HE      HIS  10  -1.057   4.111   4.669
   84    HE2  HIS  10           2HE      HIS  10  -1.508   6.407   3.691
   85    H    LEU  11           H        LEU  11   1.034   3.712  -2.813
   86    HA   LEU  11           HA       LEU  11   1.104   0.743  -3.273
   87   1HB   LEU  11          2HB       LEU  11  -0.355   2.915  -4.676
   88   2HB   LEU  11          1HB       LEU  11   0.392   1.704  -5.711
   89    HG   LEU  11           HG       LEU  11  -0.740  -0.073  -4.361
   90   1HD1  LEU  11          1HD1      LEU  11  -1.194   0.898  -2.270
   91   2HD1  LEU  11          2HD1      LEU  11  -2.778   0.879  -3.035
   92   3HD1  LEU  11          3HD1      LEU  11  -1.841   2.373  -2.982
   93   1HD2  LEU  11          1HD2      LEU  11  -2.555   2.025  -5.583
   94   2HD2  LEU  11          2HD2      LEU  11  -2.975   0.332  -5.319
   95   3HD2  LEU  11          3HD2      LEU  11  -1.707   0.758  -6.469
   96    H    THR  12           H        THR  12   2.545   0.012  -4.923
   97    HA   THR  12           HA       THR  12   4.547   2.029  -5.859
   98    HB   THR  12           HB       THR  12   5.669   0.953  -4.039
   99    HG1  THR  12           1HG      THR  12   7.325   0.599  -5.248
  100   1HG2  THR  12          1HG2      THR  12   5.681  -1.801  -4.774
  101   2HG2  THR  12          2HG2      THR  12   4.000  -1.275  -4.749
  102   3HG2  THR  12          3HG2      THR  12   5.010  -1.074  -3.320
  103    H    ASP  13           H        ASP  13   6.144   0.235  -7.325
  104    HA   ASP  13           HA       ASP  13   4.162  -0.815  -9.317
  105   1HB   ASP  13          2HB       ASP  13   6.921   0.255  -9.943
  106   2HB   ASP  13          1HB       ASP  13   5.626  -0.120 -11.081
  107    H    THR  14           H        THR  14   6.099  -2.030  -7.040
  108    HA   THR  14           HA       THR  14   6.641  -4.440  -8.662
  109    HB   THR  14           HB       THR  14   8.678  -3.060  -8.948
  110    HG1  THR  14           1HG      THR  14   9.966  -4.734  -8.580
  111   1HG2  THR  14          1HG2      THR  14  10.038  -2.450  -7.050
  112   2HG2  THR  14          2HG2      THR  14   8.971  -3.319  -5.948
  113   3HG2  THR  14          3HG2      THR  14   8.404  -1.857  -6.753
  114    H    LYS  15           H        LYS  15   7.136  -6.309  -7.329
  115    HA   LYS  15           HA       LYS  15   5.779  -6.234  -4.751
  116   1HB   LYS  15          2HB       LYS  15   7.399  -8.459  -6.030
  117   2HB   LYS  15          1HB       LYS  15   6.293  -8.634  -4.666
  118   1HG   LYS  15          2HG       LYS  15   4.396  -8.060  -6.029
  119   2HG   LYS  15          1HG       LYS  15   5.435  -7.585  -7.374
  120   1HD   LYS  15          2HD       LYS  15   6.249  -9.916  -7.559
  121   2HD   LYS  15          1HD       LYS  15   5.179 -10.385  -6.237
  122   1HE   LYS  15          2HE       LYS  15   3.221  -9.711  -7.548
  123   2HE   LYS  15          1HE       LYS  15   4.266  -9.170  -8.862
  124   1HZ   LYS  15          1HZ       LYS  15   3.262 -11.485  -9.030
  125   2HZ   LYS  15          2HZ       LYS  15   4.381 -11.939  -7.836
  126   3HZ   LYS  15          3HZ       LYS  15   4.925 -11.338  -9.330
  127    H    LYS  16           H        LYS  16   8.990  -5.771  -5.849
  128    HA   LYS  16           HA       LYS  16  10.001  -5.963  -3.034
  129   1HB   LYS  16          2HB       LYS  16  11.456  -6.530  -5.637
  130   2HB   LYS  16          1HB       LYS  16  12.229  -6.475  -4.052
  131   1HG   LYS  16          2HG       LYS  16  11.218  -8.440  -3.334
  132   2HG   LYS  16          1HG       LYS  16   9.831  -8.242  -4.405
  133   1HD   LYS  16          2HD       LYS  16  11.059  -8.946  -6.310
  134   2HD   LYS  16          1HD       LYS  16  12.605  -8.767  -5.478
  135   1HE   LYS  16          2HE       LYS  16  11.921 -10.594  -3.911
  136   2HE   LYS  16          1HE       LYS  16  10.457 -10.820  -4.869
  137   1HZ   LYS  16          1HZ       LYS  16  11.784 -12.301  -5.912
  138   2HZ   LYS  16          2HZ       LYS  16  13.221 -11.493  -5.504
  139   3HZ   LYS  16          3HZ       LYS  16  12.259 -10.929  -6.786
  140    H    VAL  17           H        VAL  17   9.056  -3.632  -3.261
  141    HA   VAL  17           HA       VAL  17  10.176  -1.634  -4.873
  142    HB   VAL  17           HB       VAL  17   9.615  -0.048  -3.074
  143   1HG1  VAL  17          1HG1      VAL  17   7.882  -1.261  -4.551
  144   2HG1  VAL  17          2HG1      VAL  17   7.295  -0.429  -3.111
  145   3HG1  VAL  17          3HG1      VAL  17   7.495  -2.180  -3.100
  146   1HG2  VAL  17          1HG2      VAL  17   9.490  -2.602  -1.469
  147   2HG2  VAL  17          2HG2      VAL  17   8.563  -1.184  -0.979
  148   3HG2  VAL  17          3HG2      VAL  17  10.321  -1.097  -1.081
  149    H    LYS  18           H        LYS  18  11.664   0.127  -4.057
  150    HA   LYS  18           HA       LYS  18  14.100  -1.159  -2.942
  151   1HB   LYS  18          2HB       LYS  18  15.064   1.185  -3.712
  152   2HB   LYS  18          1HB       LYS  18  14.752  -0.074  -4.908
  153   1HG   LYS  18          2HG       LYS  18  12.602   0.907  -5.465
  154   2HG   LYS  18          1HG       LYS  18  12.763   2.089  -4.166
  155   1HD   LYS  18          2HD       LYS  18  13.351   3.117  -6.316
  156   2HD   LYS  18          1HD       LYS  18  14.773   3.021  -5.280
  157   1HE   LYS  18          2HE       LYS  18  15.726   1.281  -6.523
  158   2HE   LYS  18          1HE       LYS  18  14.175   0.784  -7.200
  159   1HZ   LYS  18          1HZ       LYS  18  14.938   3.488  -7.843
  160   2HZ   LYS  18          2HZ       LYS  18  14.332   2.260  -8.849
  161   3HZ   LYS  18          3HZ       LYS  18  15.988   2.313  -8.469
  162    H    CYS  19           H        CYS  19  12.723  -1.039  -0.887
  163    HA   CYS  19           HA       CYS  19  11.795   1.005   0.561
  164   1HB   CYS  19          2HB       CYS  19  13.805  -1.063   1.453
  165   2HB   CYS  19          1HB       CYS  19  13.048   0.058   2.584
  166    H    ASP  20           H        ASP  20  15.320   0.521   0.152
  167    HA   ASP  20           HA       ASP  20  16.354   2.549   1.715
  168   1HB   ASP  20          2HB       ASP  20  17.756   1.081   0.324
  169   2HB   ASP  20          1HB       ASP  20  17.187   1.902  -1.128
  170    H    VAL  21           H        VAL  21  14.802   2.906  -1.439
  171    HA   VAL  21           HA       VAL  21  14.980   5.869  -1.180
  172    HB   VAL  21           HB       VAL  21  13.888   4.386  -3.565
  173   1HG1  VAL  21          1HG1      VAL  21  15.355   7.014  -3.183
  174   2HG1  VAL  21          2HG1      VAL  21  13.635   6.819  -3.514
  175   3HG1  VAL  21          3HG1      VAL  21  14.823   6.375  -4.738
  176   1HG2  VAL  21          1HG2      VAL  21  16.306   4.574  -4.438
  177   2HG2  VAL  21          2HG2      VAL  21  15.978   3.289  -3.275
  178   3HG2  VAL  21          3HG2      VAL  21  16.773   4.772  -2.748
  179    H    GLU  22           H        GLU  22  12.680   3.180  -1.495
  180    HA   GLU  22           HA       GLU  22  10.282   4.668  -1.739
  181   1HB   GLU  22          2HB       GLU  22  10.949   1.980  -1.375
  182   2HB   GLU  22          1HB       GLU  22  10.015   2.372   0.067
  183   1HG   GLU  22          2HG       GLU  22   8.409   1.676  -1.544
  184   2HG   GLU  22          1HG       GLU  22   8.304   3.436  -1.523
  185    H    MET  23           H        MET  23  12.563   4.887   0.631
  186    HA   MET  23           HA       MET  23  10.597   6.019   2.585
  187   1HB   MET  23          2HB       MET  23  13.148   4.515   3.252
  188   2HB   MET  23          1HB       MET  23  12.032   5.231   4.414
  189   1HG   MET  23          2HG       MET  23  10.252   3.728   3.690
  190   2HG   MET  23          1HG       MET  23  11.291   3.061   2.431
  191   1HE   MET  23          1HE       MET  23  10.857   3.958   5.958
  192   2HE   MET  23          2HE       MET  23  11.656   2.740   6.947
  193   3HE   MET  23          3HE       MET  23  10.125   2.361   6.163
  194    H    ALA  24           H        ALA  24  14.029   5.966   1.576
  195    HA   ALA  24           HA       ALA  24  14.611   8.520   2.817
  196   1HB   ALA  24          1HB       ALA  24  16.312   6.729   2.224
  197   2HB   ALA  24          2HB       ALA  24  16.744   8.361   1.712
  198   3HB   ALA  24          3HB       ALA  24  16.113   7.206   0.538
  199    H    LYS  25           H        LYS  25  12.541   7.853   0.448
  200    HA   LYS  25           HA       LYS  25  13.143   9.512  -1.745
  201   1HB   LYS  25          2HB       LYS  25  10.850   8.139  -0.664
  202   2HB   LYS  25          1HB       LYS  25  10.344   9.741  -1.179
  203   1HG   LYS  25          2HG       LYS  25  10.493   9.186  -3.368
  204   2HG   LYS  25          1HG       LYS  25  12.101   8.506  -3.167
  205   1HD   LYS  25          2HD       LYS  25  11.317   6.364  -2.882
  206   2HD   LYS  25          1HD       LYS  25   9.844   6.891  -2.068
  207   1HE   LYS  25          2HE       LYS  25   9.337   5.947  -4.291
  208   2HE   LYS  25          1HE       LYS  25   8.923   7.660  -4.224
  209   1HZ   LYS  25          1HZ       LYS  25  10.121   7.683  -6.119
  210   2HZ   LYS  25          2HZ       LYS  25  11.037   6.313  -5.706
  211   3HZ   LYS  25          3HZ       LYS  25  11.427   7.830  -5.045
  212    H    ALA  26           H        ALA  26  11.119  11.456  -1.872
  213    HA   ALA  26           HA       ALA  26  12.162  13.452   0.084
  214   1HB   ALA  26          1HB       ALA  26  11.245  15.128  -1.514
  215   2HB   ALA  26          2HB       ALA  26  10.703  13.809  -2.552
  216   3HB   ALA  26          3HB       ALA  26  12.426  14.059  -2.270
  217    H    LEU  27           H        LEU  27   9.290  11.723  -0.843
  218    HA   LEU  27           HA       LEU  27   7.540  13.581   0.660
  219   1HB   LEU  27          2HB       LEU  27   5.703  12.259  -0.165
  220   2HB   LEU  27          1HB       LEU  27   6.811  12.522  -1.508
  221    HG   LEU  27           HG       LEU  27   7.801  10.188  -0.393
  222   1HD1  LEU  27          1HD1      LEU  27   5.895   9.947   1.114
  223   2HD1  LEU  27          2HD1      LEU  27   5.797   8.718  -0.146
  224   3HD1  LEU  27          3HD1      LEU  27   4.770  10.148  -0.231
  225   1HD2  LEU  27          1HD2      LEU  27   6.687   9.077  -2.339
  226   2HD2  LEU  27          2HD2      LEU  27   7.496  10.581  -2.781
  227   3HD2  LEU  27          3HD2      LEU  27   5.742  10.545  -2.594
  228    H    PHE  28           H        PHE  28   9.599  11.120   1.447
  229    HA   PHE  28           HA       PHE  28   7.878  10.196   3.723
  230   1HB   PHE  28          2HB       PHE  28  10.030   8.863   2.110
  231   2HB   PHE  28          1HB       PHE  28   9.810   8.379   3.788
  232    HD1  PHE  28           1HD      PHE  28   8.846   7.636   0.519
  233    HD2  PHE  28           2HD      PHE  28   7.188   8.106   4.455
  234    HE1  PHE  28           1HE      PHE  28   6.909   6.230  -0.127
  235    HE2  PHE  28           2HE      PHE  28   5.251   6.702   3.806
  236    HZ   PHE  28           HZ       PHE  28   5.112   5.763   1.515
  237    H    ASP  29           H        ASP  29  11.244  11.031   2.858
  238    HA   ASP  29           HA       ASP  29  12.751  12.376   4.090
  239   1HB   ASP  29          2HB       ASP  29  10.490  13.190   5.252
  240   2HB   ASP  29          1HB       ASP  29  11.106  12.221   6.592
  241    H    CYS  30           H        CYS  30  12.748   9.505   3.879
  242    HA   CYS  30           HA       CYS  30  13.801   7.634   4.821
  243   1HB   CYS  30          2HB       CYS  30  15.735   9.115   4.774
  244   2HB   CYS  30          1HB       CYS  30  15.241   9.857   6.295
  245    H    LYS  31           H        LYS  31  11.482   7.481   5.912
  246    HA   LYS  31           HA       LYS  31  11.312   8.039   8.745
  247   1HB   LYS  31          2HB       LYS  31   9.757   5.932   7.227
  248   2HB   LYS  31          1HB       LYS  31   9.269   6.760   8.699
  249   1HG   LYS  31          2HG       LYS  31   9.660   8.056   5.988
  250   2HG   LYS  31          1HG       LYS  31   8.105   7.678   6.719
  251   1HD   LYS  31          2HD       LYS  31  10.162   9.676   7.702
  252   2HD   LYS  31          1HD       LYS  31   8.542  10.013   7.103
  253   1HE   LYS  31          2HE       LYS  31   9.348   8.774   9.724
  254   2HE   LYS  31          1HE       LYS  31   8.257  10.124   9.425
  255   1HZ   LYS  31          1HZ       LYS  31   7.238   7.879  10.010
  256   2HZ   LYS  31          2HZ       LYS  31   7.639   7.416   8.426
  257   3HZ   LYS  31          3HZ       LYS  31   6.582   8.719   8.692
  258    H    LYS  32           H        LYS  32  10.235   5.239   9.254
  259    HA   LYS  32           HA       LYS  32  12.795   3.718   9.404
  260   1HB   LYS  32          2HB       LYS  32  12.215   3.088  11.763
  261   2HB   LYS  32          1HB       LYS  32  12.589   4.801  11.573
  262   1HG   LYS  32          2HG       LYS  32  10.204   5.347  11.491
  263   2HG   LYS  32          1HG       LYS  32   9.786   3.637  11.589
  264   1HD   LYS  32          2HD       LYS  32  11.543   4.803  13.725
  265   2HD   LYS  32          1HD       LYS  32   9.815   5.148  13.773
  266   1HE   LYS  32          2HE       LYS  32  10.845   2.328  13.450
  267   2HE   LYS  32          1HE       LYS  32  10.631   3.055  15.041
  268   1HZ   LYS  32          1HZ       LYS  32   8.526   2.802  12.962
  269   2HZ   LYS  32          2HZ       LYS  32   8.322   3.485  14.504
  270   3HZ   LYS  32          3HZ       LYS  32   8.665   1.828  14.344
  271    H    THR  33           H        THR  33   9.276   3.768   9.487
  272    HA   THR  33           HA       THR  33   9.286   0.891   8.669
  273    HB   THR  33           HB       THR  33   7.136   2.137  10.398
  274    HG1  THR  33           1HG      THR  33   8.347   1.793  12.061
  275   1HG2  THR  33          1HG2      THR  33   6.479  -0.156  10.777
  276   2HG2  THR  33          2HG2      THR  33   7.912  -0.754   9.939
  277   3HG2  THR  33          3HG2      THR  33   6.645   0.078   9.037
  278    H    ASN  34           H        ASN  34   8.151   0.573   6.789
  279    HA   ASN  34           HA       ASN  34   6.053   2.548   6.041
  280   1HB   ASN  34          2HB       ASN  34   8.536   1.904   4.447
  281   2HB   ASN  34          1HB       ASN  34   7.081   2.549   3.689
  282   1HD2  ASN  34          1HD2      ASN  34   7.455   4.747   3.342
  283   2HD2  ASN  34          2HD2      ASN  34   8.096   5.813   4.496
  284    H    THR  35           H        THR  35   4.536   1.733   4.535
  285    HA   THR  35           HA       THR  35   4.800  -1.142   3.780
  286    HB   THR  35           HB       THR  35   2.441   0.158   5.173
  287    HG1  THR  35           1HG      THR  35   2.868  -1.399   6.709
  288   1HG2  THR  35          1HG2      THR  35   2.691  -2.450   3.674
  289   2HG2  THR  35          2HG2      THR  35   1.464  -1.198   3.489
  290   3HG2  THR  35          3HG2      THR  35   1.477  -2.213   4.931
  291    H    PHE  36           H        PHE  36   3.497  -1.704   1.901
  292    HA   PHE  36           HA       PHE  36   2.022   0.459   0.545
  293   1HB   PHE  36          2HB       PHE  36   4.054  -0.749  -1.247
  294   2HB   PHE  36          1HB       PHE  36   3.457   0.904  -1.182
  295    HD1  PHE  36           1HD      PHE  36   4.452   2.544   0.368
  296    HD2  PHE  36           2HD      PHE  36   5.949  -1.461   0.078
  297    HE1  PHE  36           1HE      PHE  36   6.533   3.233   1.528
  298    HE2  PHE  36           2HE      PHE  36   8.018  -0.784   1.240
  299    HZ   PHE  36           HZ       PHE  36   8.318   1.564   1.956
  300    H    ILE  37           H        ILE  37   1.258  -0.499  -1.720
  301    HA   ILE  37           HA       ILE  37   0.699  -3.417  -1.341
  302    HB   ILE  37           HB       ILE  37  -1.174  -1.379  -2.556
  303   1HG1  ILE  37          2HG1      ILE  37  -1.649  -2.659   0.123
  304   2HG1  ILE  37          1HG1      ILE  37  -0.574  -1.270   0.041
  305   1HG2  ILE  37          1HG2      ILE  37  -1.623  -3.596  -3.359
  306   2HG2  ILE  37          2HG2      ILE  37  -2.824  -3.255  -2.113
  307   3HG2  ILE  37          3HG2      ILE  37  -1.439  -4.282  -1.744
  308   1HD1  ILE  37          1HD1      ILE  37  -2.268   0.185  -0.392
  309   2HD1  ILE  37          2HD1      ILE  37  -3.273  -1.075   0.320
  310   3HD1  ILE  37          3HD1      ILE  37  -3.123  -0.955  -1.432
  311    H    TYR  38           H        TYR  38   0.918  -4.719  -3.133
  312    HA   TYR  38           HA       TYR  38   2.107  -3.410  -5.533
  313   1HB   TYR  38          2HB       TYR  38   3.369  -5.289  -4.676
  314   2HB   TYR  38          1HB       TYR  38   1.931  -6.308  -4.664
  315    HD1  TYR  38           1HD      TYR  38   4.022  -4.249  -6.994
  316    HD2  TYR  38           2HD      TYR  38   1.448  -7.655  -6.517
  317    HE1  TYR  38           1HE      TYR  38   4.464  -4.913  -9.343
  318    HE2  TYR  38           2HE      TYR  38   1.890  -8.318  -8.865
  319    HH   TYR  38           HH       TYR  38   3.216  -6.292 -11.128
  320    H    ALA  39           H        ALA  39   0.449  -2.674  -6.831
  321    HA   ALA  39           HA       ALA  39  -1.217  -4.661  -8.161
  322   1HB   ALA  39          1HB       ALA  39  -2.465  -2.635  -6.286
  323   2HB   ALA  39          2HB       ALA  39  -2.625  -4.390  -6.225
  324   3HB   ALA  39          3HB       ALA  39  -3.373  -3.481  -7.538
  325    H    LEU  40           H        LEU  40  -2.265  -3.746 -10.049
  326    HA   LEU  40           HA       LEU  40  -0.970  -1.232 -10.921
  327   1HB   LEU  40          2HB       LEU  40  -1.135  -2.022 -13.065
  328   2HB   LEU  40          1HB       LEU  40  -1.222  -3.562 -12.221
  329    HG   LEU  40           HG       LEU  40  -3.843  -2.978 -12.211
  330   1HD1  LEU  40          1HD1      LEU  40  -2.938  -1.788 -14.834
  331   2HD1  LEU  40          2HD1      LEU  40  -3.227  -0.775 -13.425
  332   3HD1  LEU  40          3HD1      LEU  40  -4.540  -1.732 -14.103
  333   1HD2  LEU  40          1HD2      LEU  40  -2.990  -5.015 -13.162
  334   2HD2  LEU  40          2HD2      LEU  40  -2.208  -4.141 -14.479
  335   3HD2  LEU  40          3HD2      LEU  40  -3.967  -4.242 -14.411
  336    HA   PRO  41           HA       PRO  41  -4.219   1.641 -10.271
  337   1HB   PRO  41          2HB       PRO  41  -4.322   1.958 -13.241
  338   2HB   PRO  41          1HB       PRO  41  -4.171   3.194 -11.979
  339   1HG   PRO  41          2HG       PRO  41  -2.094   2.239 -13.507
  340   2HG   PRO  41          1HG       PRO  41  -1.920   3.038 -11.939
  341   1HD   PRO  41          2HD       PRO  41  -1.360   0.278 -12.598
  342   2HD   PRO  41          1HD       PRO  41  -1.134   1.099 -11.040
  343    H    GLY  42           H        GLY  42  -4.854  -0.151 -13.307
  344   1HA   GLY  42          2HA       GLY  42  -7.667  -0.026 -13.210
  345   2HA   GLY  42          1HA       GLY  42  -6.775  -1.321 -14.003
  346    H    ARG  43           H        ARG  43  -5.602  -2.681 -11.995
  347    HA   ARG  43           HA       ARG  43  -7.718  -4.202 -10.852
  348   1HB   ARG  43          2HB       ARG  43  -4.761  -4.036 -10.248
  349   2HB   ARG  43          1HB       ARG  43  -5.832  -5.149  -9.396
  350   1HG   ARG  43          2HG       ARG  43  -6.550  -6.064 -11.622
  351   2HG   ARG  43          1HG       ARG  43  -5.320  -5.053 -12.381
  352   1HD   ARG  43          2HD       ARG  43  -3.551  -6.192 -11.216
  353   2HD   ARG  43          1HD       ARG  43  -4.701  -7.049 -10.190
  354    HE   ARG  43           HE       ARG  43  -5.045  -7.572 -13.051
  355   1HH1  ARG  43          1HH2      ARG  43  -3.489  -8.397 -10.087
  356   2HH1  ARG  43          2HH2      ARG  43  -3.169 -10.034 -10.557
  357   1HH2  ARG  43          1HH1      ARG  43  -4.636  -9.704 -13.681
  358   2HH2  ARG  43          2HH1      ARG  43  -3.819 -10.774 -12.592
  359    H    VAL  44           H        VAL  44  -6.006  -1.376  -9.703
  360    HA   VAL  44           HA       VAL  44  -6.862  -1.706  -6.930
  361    HB   VAL  44           HB       VAL  44  -5.737   0.703  -8.389
  362   1HG1  VAL  44          1HG1      VAL  44  -5.130   1.299  -5.935
  363   2HG1  VAL  44          2HG1      VAL  44  -6.390   0.145  -5.496
  364   3HG1  VAL  44          3HG1      VAL  44  -6.792   1.565  -6.461
  365   1HG2  VAL  44          1HG2      VAL  44  -4.335  -1.149  -6.453
  366   2HG2  VAL  44          2HG2      VAL  44  -3.614   0.028  -7.550
  367   3HG2  VAL  44          3HG2      VAL  44  -4.336  -1.447  -8.190
  368    H    LYS  45           H        LYS  45  -7.698   0.706  -9.456
  369    HA   LYS  45           HA       LYS  45  -9.950   1.730  -7.989
  370   1HB   LYS  45          2HB       LYS  45 -10.528   2.900 -10.020
  371   2HB   LYS  45          1HB       LYS  45  -8.767   2.901  -9.901
  372   1HG   LYS  45          2HG       LYS  45  -8.810   0.791 -11.346
  373   2HG   LYS  45          1HG       LYS  45 -10.508   1.155 -11.652
  374   1HD   LYS  45          2HD       LYS  45  -9.533   3.565 -12.231
  375   2HD   LYS  45          1HD       LYS  45  -8.060   2.643 -12.533
  376   1HE   LYS  45          2HE       LYS  45  -9.564   1.087 -13.955
  377   2HE   LYS  45          1HE       LYS  45 -10.741   2.397 -13.896
  378   1HZ   LYS  45          1HZ       LYS  45  -7.947   2.621 -14.877
  379   2HZ   LYS  45          2HZ       LYS  45  -9.076   3.889 -14.811
  380   3HZ   LYS  45          3HZ       LYS  45  -9.336   2.568 -15.849
  381    H    ALA  46           H        ALA  46  -9.450  -1.086  -9.889
  382    HA   ALA  46           HA       ALA  46 -12.232  -1.547 -10.599
  383   1HB   ALA  46          1HB       ALA  46  -9.787  -3.335 -10.547
  384   2HB   ALA  46          2HB       ALA  46 -10.524  -2.580 -11.959
  385   3HB   ALA  46          3HB       ALA  46 -11.367  -3.875 -11.110
  386    H    LEU  47           H        LEU  47 -10.045  -2.660  -8.024
  387    HA   LEU  47           HA       LEU  47 -11.948  -4.471  -6.835
  388   1HB   LEU  47          2HB       LEU  47  -9.477  -3.094  -5.757
  389   2HB   LEU  47          1HB       LEU  47 -10.424  -4.237  -4.806
  390    HG   LEU  47           HG       LEU  47  -9.432  -4.982  -7.557
  391   1HD1  LEU  47          1HD1      LEU  47  -7.924  -5.352  -4.952
  392   2HD1  LEU  47          2HD1      LEU  47  -7.480  -4.209  -6.219
  393   3HD1  LEU  47          3HD1      LEU  47  -7.426  -5.944  -6.536
  394   1HD2  LEU  47          1HD2      LEU  47 -10.284  -6.474  -5.060
  395   2HD2  LEU  47          2HD2      LEU  47  -9.445  -7.265  -6.392
  396   3HD2  LEU  47          3HD2      LEU  47 -11.022  -6.530  -6.660
  397    H    CYS  48           H        CYS  48 -12.065  -1.165  -7.124
  398    HA   CYS  48           HA       CYS  48 -13.515  -0.829  -4.525
  399   1HB   CYS  48          2HB       CYS  48 -11.776   0.932  -6.144
  400   2HB   CYS  48          1HB       CYS  48 -13.247   1.707  -5.564
  401    H    LYS  49           H        LYS  49 -13.873  -1.063  -7.917
  402    HA   LYS  49           HA       LYS  49 -16.186   0.565  -8.310
  403   1HB   LYS  49          2HB       LYS  49 -16.352  -0.459 -10.405
  404   2HB   LYS  49          1HB       LYS  49 -14.646  -0.689 -10.027
  405   1HG   LYS  49          2HG       LYS  49 -15.372  -2.942  -8.988
  406   2HG   LYS  49          1HG       LYS  49 -16.888  -2.705  -9.858
  407   1HD   LYS  49          2HD       LYS  49 -14.110  -2.854 -11.062
  408   2HD   LYS  49          1HD       LYS  49 -15.413  -4.026 -11.256
  409   1HE   LYS  49          2HE       LYS  49 -15.274  -1.206 -12.334
  410   2HE   LYS  49          1HE       LYS  49 -15.458  -2.708 -13.239
  411   1HZ   LYS  49          1HZ       LYS  49 -17.618  -3.021 -12.158
  412   2HZ   LYS  49          2HZ       LYS  49 -17.564  -1.586 -13.067
  413   3HZ   LYS  49          3HZ       LYS  49 -17.442  -1.527 -11.373
  414    H    ASN  50           H        ASN  50 -18.427  -0.118  -8.455
  415    HA   ASN  50           HA       ASN  50 -20.327  -1.339  -7.807
  416   1HB   ASN  50          2HB       ASN  50 -18.686  -3.317  -8.479
  417   2HB   ASN  50          1HB       ASN  50 -18.652  -3.586  -6.737
  418   1HD2  ASN  50          1HD2      ASN  50 -21.271  -2.655  -9.054
  419   2HD2  ASN  50          2HD2      ASN  50 -22.351  -3.858  -8.534
  420    H    ILE  51           H        ILE  51 -17.730  -0.524  -5.757
  421    HA   ILE  51           HA       ILE  51 -18.997  -1.337  -3.258
  422    HB   ILE  51           HB       ILE  51 -16.754   0.633  -3.782
  423   1HG1  ILE  51          2HG1      ILE  51 -16.195  -1.635  -4.532
  424   2HG1  ILE  51          1HG1      ILE  51 -15.299  -1.254  -3.062
  425   1HG2  ILE  51          1HG2      ILE  51 -17.496   1.158  -1.626
  426   2HG2  ILE  51          2HG2      ILE  51 -16.253  -0.051  -1.314
  427   3HG2  ILE  51          3HG2      ILE  51 -17.956  -0.509  -1.274
  428   1HD1  ILE  51          1HD1      ILE  51 -17.586  -3.149  -3.453
  429   2HD1  ILE  51          2HD1      ILE  51 -17.415  -2.360  -1.886
  430   3HD1  ILE  51          3HD1      ILE  51 -16.108  -3.358  -2.517
  431    H    ARG  52           H        ARG  52 -19.364   0.488  -1.575
  432    HA   ARG  52           HA       ARG  52 -21.170   2.487  -2.852
  433   1HB   ARG  52          2HB       ARG  52 -21.674   0.789  -0.794
  434   2HB   ARG  52          1HB       ARG  52 -21.113   2.193   0.111
  435   1HG   ARG  52          2HG       ARG  52 -22.750   3.602  -1.163
  436   2HG   ARG  52          1HG       ARG  52 -23.367   2.133  -1.918
  437   1HD   ARG  52          2HD       ARG  52 -23.728   1.245   0.461
  438   2HD   ARG  52          1HD       ARG  52 -23.459   2.902   1.003
  439    HE   ARG  52           HE       ARG  52 -25.826   1.917  -0.417
  440   1HH1  ARG  52          1HH2      ARG  52 -23.819   4.585   0.443
  441   2HH1  ARG  52          2HH2      ARG  52 -25.070   5.765   0.235
  442   1HH2  ARG  52          1HH1      ARG  52 -27.470   3.443  -0.696
  443   2HH2  ARG  52          2HH1      ARG  52 -27.137   5.119  -0.410
  444    H    ASP  53           H        ASP  53 -21.224   4.356  -0.741
  445    HA   ASP  53           HA       ASP  53 -19.041   6.058  -1.386
  446   1HB   ASP  53          2HB       ASP  53 -19.815   7.462   0.436
  447   2HB   ASP  53          1HB       ASP  53 -21.220   6.800  -0.401
  448    H    ASN  54           H        ASN  54 -18.345   6.899   1.284
  449    HA   ASN  54           HA       ASN  54 -15.939   5.396   1.627
  450   1HB   ASN  54          2HB       ASN  54 -17.248   7.113   3.746
  451   2HB   ASN  54          1HB       ASN  54 -15.528   6.782   3.536
  452   1HD2  ASN  54          1HD2      ASN  54 -18.254   8.121   1.568
  453   2HD2  ASN  54          2HD2      ASN  54 -17.325   9.354   0.863
  454    H    THR  55           H        THR  55 -15.866   3.349   2.340
  455    HA   THR  55           HA       THR  55 -17.210   2.638   4.860
  456    HB   THR  55           HB       THR  55 -17.664   0.710   2.614
  457    HG1  THR  55           1HG      THR  55 -19.703   1.880   2.293
  458   1HG2  THR  55          1HG2      THR  55 -19.502   1.561   4.855
  459   2HG2  THR  55          2HG2      THR  55 -18.237   0.355   5.086
  460   3HG2  THR  55          3HG2      THR  55 -19.536   0.060   3.931
  461    H    ASP  56           H        ASP  56 -16.443   0.434   5.589
  462    HA   ASP  56           HA       ASP  56 -13.594   0.141   4.879
  463   1HB   ASP  56          2HB       ASP  56 -15.119  -1.541   6.871
  464   2HB   ASP  56          1HB       ASP  56 -13.393  -1.176   6.840
  465    H    VAL  57           H        VAL  57 -13.108  -1.142   3.172
  466    HA   VAL  57           HA       VAL  57 -14.874  -3.466   2.567
  467    HB   VAL  57           HB       VAL  57 -13.966  -3.443   0.365
  468   1HG1  VAL  57          1HG1      VAL  57 -15.518  -1.561   0.933
  469   2HG1  VAL  57          2HG1      VAL  57 -14.403  -1.169  -0.377
  470   3HG1  VAL  57          3HG1      VAL  57 -14.110  -0.546   1.247
  471   1HG2  VAL  57          1HG2      VAL  57 -12.050  -1.788  -0.140
  472   2HG2  VAL  57          2HG2      VAL  57 -11.624  -3.261   0.733
  473   3HG2  VAL  57          3HG2      VAL  57 -11.800  -1.739   1.603
  474    H    LEU  58           H        LEU  58 -13.686  -5.480   1.861
  475    HA   LEU  58           HA       LEU  58 -11.098  -5.842   3.317
  476   1HB   LEU  58          2HB       LEU  58 -13.545  -6.809   4.216
  477   2HB   LEU  58          1HB       LEU  58 -12.893  -8.186   3.337
  478    HG   LEU  58           HG       LEU  58 -12.255  -8.214   5.732
  479   1HD1  LEU  58          1HD1      LEU  58  -9.935  -8.723   5.389
  480   2HD1  LEU  58          2HD1      LEU  58  -9.851  -7.665   3.982
  481   3HD1  LEU  58          3HD1      LEU  58 -10.788  -9.156   3.908
  482   1HD2  LEU  58          1HD2      LEU  58 -11.964  -5.488   5.458
  483   2HD2  LEU  58          2HD2      LEU  58 -10.288  -6.032   5.457
  484   3HD2  LEU  58          3HD2      LEU  58 -11.343  -6.434   6.806
  485    H    SER  59           H        SER  59  -9.579  -6.938   2.080
  486    HA   SER  59           HA       SER  59 -10.037  -7.463  -0.658
  487   1HB   SER  59          2HB       SER  59  -7.901  -8.013   1.269
  488   2HB   SER  59          1HB       SER  59  -8.003  -9.223  -0.002
  489    HG   SER  59           HG       SER  59  -8.342  -6.771  -1.032
  490    H    ARG  60           H        ARG  60 -10.208  -9.561  -1.777
  491    HA   ARG  60           HA       ARG  60 -12.251 -11.208  -0.555
  492   1HB   ARG  60          2HB       ARG  60 -10.638 -11.742  -3.066
  493   2HB   ARG  60          1HB       ARG  60 -12.179 -12.483  -2.629
  494   1HG   ARG  60          2HG       ARG  60 -13.123 -10.098  -2.544
  495   2HG   ARG  60          1HG       ARG  60 -11.641  -9.601  -3.362
  496   1HD   ARG  60          2HD       ARG  60 -13.594 -11.688  -4.379
  497   2HD   ARG  60          1HD       ARG  60 -13.446 -10.040  -4.990
  498    HE   ARG  60           HE       ARG  60 -11.620 -12.254  -5.559
  499   1HH1  ARG  60          1HH2      ARG  60 -12.098  -8.846  -5.325
  500   2HH1  ARG  60          2HH2      ARG  60 -10.818  -8.457  -6.425
  501   1HH2  ARG  60          1HH1      ARG  60  -9.946 -11.765  -6.996
  502   2HH2  ARG  60          2HH1      ARG  60  -9.599 -10.110  -7.371
  503    H    ASP  61           H        ASP  61  -8.935 -11.983  -1.664
  504    HA   ASP  61           HA       ASP  61  -8.922 -14.202   0.359
  505   1HB   ASP  61          2HB       ASP  61  -8.852 -14.849  -2.112
  506   2HB   ASP  61          1HB       ASP  61  -7.257 -14.096  -2.165
  507    H    ALA  62           H        ALA  62  -6.340 -12.642  -1.549
  508    HA   ALA  62           HA       ALA  62  -5.218 -11.452   0.888
  509   1HB   ALA  62          1HB       ALA  62  -3.992 -13.833  -0.490
  510   2HB   ALA  62          2HB       ALA  62  -4.252 -13.572   1.234
  511   3HB   ALA  62          3HB       ALA  62  -2.987 -12.682   0.388
  512    H    PHE  63           H        PHE  63  -2.997 -10.425   0.289
  513    HA   PHE  63           HA       PHE  63  -2.757  -9.711  -2.565
  514   1HB   PHE  63          2HB       PHE  63  -3.695  -7.836  -0.414
  515   2HB   PHE  63          1HB       PHE  63  -2.637  -7.204  -1.676
  516    HD1  PHE  63           1HD      PHE  63  -3.417  -6.873  -3.912
  517    HD2  PHE  63           2HD      PHE  63  -5.875  -8.911  -1.039
  518    HE1  PHE  63           1HE      PHE  63  -5.343  -6.747  -5.470
  519    HE2  PHE  63           2HE      PHE  63  -7.801  -8.786  -2.597
  520    HZ   PHE  63           HZ       PHE  63  -7.534  -7.703  -4.813
  521    H    LEU  64           H        LEU  64  -0.629  -9.398  -3.062
  522    HA   LEU  64           HA       LEU  64   1.352  -9.736  -0.934
  523   1HB   LEU  64          2HB       LEU  64   1.433 -10.691  -3.345
  524   2HB   LEU  64          1HB       LEU  64   1.949  -9.078  -3.823
  525    HG   LEU  64           HG       LEU  64   3.356 -10.468  -1.547
  526   1HD1  LEU  64          1HD1      LEU  64   3.739 -10.969  -4.504
  527   2HD1  LEU  64          2HD1      LEU  64   3.459 -12.159  -3.233
  528   3HD1  LEU  64          3HD1      LEU  64   4.995 -11.296  -3.312
  529   1HD2  LEU  64          1HD2      LEU  64   5.281  -9.156  -2.611
  530   2HD2  LEU  64          2HD2      LEU  64   4.006  -8.186  -1.880
  531   3HD2  LEU  64          3HD2      LEU  64   4.069  -8.384  -3.631
  532    H    LEU  65           H        LEU  65   1.973  -7.975   0.256
  533    HA   LEU  65           HA       LEU  65   2.217  -5.375  -1.204
  534   1HB   LEU  65          2HB       LEU  65   2.064  -4.858   1.586
  535   2HB   LEU  65          1HB       LEU  65   0.903  -4.424   0.348
  536    HG   LEU  65           HG       LEU  65   0.892  -7.188   1.518
  537   1HD1  LEU  65          1HD1      LEU  65  -0.833  -6.269   3.115
  538   2HD1  LEU  65          2HD1      LEU  65  -0.348  -4.648   2.616
  539   3HD1  LEU  65          3HD1      LEU  65   0.807  -5.703   3.431
  540   1HD2  LEU  65          1HD2      LEU  65  -1.235  -5.363   0.334
  541   2HD2  LEU  65          2HD2      LEU  65  -1.482  -7.033   0.842
  542   3HD2  LEU  65          3HD2      LEU  65  -0.437  -6.675  -0.529
  543    HA   PRO  66           HA       PRO  66   6.479  -5.826   0.156
  544   1HB   PRO  66          2HB       PRO  66   7.401  -3.469  -0.897
  545   2HB   PRO  66          1HB       PRO  66   7.148  -4.931  -1.862
  546   1HG   PRO  66          2HG       PRO  66   5.493  -2.492  -1.673
  547   2HG   PRO  66          1HG       PRO  66   5.749  -3.578  -3.041
  548   1HD   PRO  66          2HD       PRO  66   3.484  -3.552  -1.431
  549   2HD   PRO  66          1HD       PRO  66   3.991  -4.911  -2.459
  550    H    GLN  67           H        GLN  67   7.623  -4.967   1.989
  551    HA   GLN  67           HA       GLN  67   6.623  -2.410   3.109
  552   1HB   GLN  67          2HB       GLN  67   6.841  -4.787   4.944
  553   2HB   GLN  67          1HB       GLN  67   5.933  -3.292   5.167
  554   1HG   GLN  67          2HG       GLN  67   4.410  -3.976   3.320
  555   2HG   GLN  67          1HG       GLN  67   5.286  -5.500   3.191
  556   1HE2  GLN  67          1HE2      GLN  67   5.475  -4.873   6.403
  557   2HE2  GLN  67          2HE2      GLN  67   4.061  -5.639   6.946
  558    H    CYS  68           H        CYS  68   8.118  -1.357   4.423
  559    HA   CYS  68           HA       CYS  68  10.862  -2.558   4.435
  560   1HB   CYS  68          2HB       CYS  68  10.177   0.342   4.918
  561   2HB   CYS  68          1HB       CYS  68  11.727  -0.349   4.438
  562    H    ASP  69           H        ASP  69  12.074  -2.542   6.383
  563    HA   ASP  69           HA       ASP  69  10.674  -1.606   8.843
  564   1HB   ASP  69          2HB       ASP  69  10.150  -4.031   8.526
  565   2HB   ASP  69          1HB       ASP  69  11.880  -4.375   8.555
  566    H    ARG  70           H        ARG  70  12.114  -0.269   9.818
  567    HA   ARG  70           HA       ARG  70  14.918  -0.223   9.218
  568   1HB   ARG  70          2HB       ARG  70  13.501   1.674  10.178
  569   2HB   ARG  70          1HB       ARG  70  13.647   0.865  11.737
  570   1HG   ARG  70          2HG       ARG  70  16.175   0.896  11.354
  571   2HG   ARG  70          1HG       ARG  70  15.860   2.010  10.023
  572   1HD   ARG  70          2HD       ARG  70  14.825   3.607  11.519
  573   2HD   ARG  70          1HD       ARG  70  14.902   2.467  12.862
  574    HE   ARG  70           HE       ARG  70  17.121   4.086  11.852
  575   1HH1  ARG  70          1HH2      ARG  70  16.087   1.268  13.550
  576   2HH1  ARG  70          2HH2      ARG  70  17.556   1.112  14.453
  577   1HH2  ARG  70          1HH1      ARG  70  19.045   3.898  13.024
  578   2HH2  ARG  70          2HH1      ARG  70  19.231   2.600  14.156
  579    H    ILE  71           H        ILE  71  16.604  -1.325  10.150
  580    HA   ILE  71           HA       ILE  71  16.112  -2.793  12.697
  581    HB   ILE  71           HB       ILE  71  17.109  -3.959  10.089
  582   1HG1  ILE  71          2HG1      ILE  71  14.603  -3.916  10.905
  583   2HG1  ILE  71          1HG1      ILE  71  15.272  -5.399  10.234
  584   1HG2  ILE  71          1HG2      ILE  71  17.505  -6.045  11.558
  585   2HG2  ILE  71          2HG2      ILE  71  17.520  -4.925  12.920
  586   3HG2  ILE  71          3HG2      ILE  71  18.713  -4.763  11.632
  587   1HD1  ILE  71          1HD1      ILE  71  15.457  -4.896  13.195
  588   2HD1  ILE  71          2HD1      ILE  71  15.440  -6.429  12.327
  589   3HD1  ILE  71          3HD1      ILE  71  13.954  -5.497  12.499
  590    H    LYS  72           H        LYS  72  18.424  -1.527  10.329
  591    HA   LYS  72           HA       LYS  72  20.352  -1.133  12.567
  592   1HB   LYS  72          2HB       LYS  72  20.914  -3.236  11.265
  593   2HB   LYS  72          1HB       LYS  72  21.176  -2.209   9.856
  594   1HG   LYS  72          2HG       LYS  72  23.025  -1.119  10.842
  595   2HG   LYS  72          1HG       LYS  72  22.584  -1.649  12.466
  596   1HD   LYS  72          2HD       LYS  72  23.201  -3.920  11.981
  597   2HD   LYS  72          1HD       LYS  72  23.387  -3.564  10.263
  598   1HE   LYS  72          2HE       LYS  72  25.218  -1.945  10.873
  599   2HE   LYS  72          1HE       LYS  72  25.104  -2.528  12.534
  600   1HZ   LYS  72          1HZ       LYS  72  25.704  -4.702  11.851
  601   2HZ   LYS  72          2HZ       LYS  72  26.831  -3.640  11.152
  602   3HZ   LYS  72          3HZ       LYS  72  25.584  -4.303  10.207
  603    H    LEU  73           H        LEU  73  22.226   0.322  11.714
  604    HA   LEU  73           HA       LEU  73  22.797   2.455  10.949
  605   1HB   LEU  73          2HB       LEU  73  21.766   0.882   8.725
  606   2HB   LEU  73          1HB       LEU  73  21.463   2.593   8.460
  607    HG   LEU  73           HG       LEU  73  23.937   2.941   9.120
  608   1HD1  LEU  73          1HD1      LEU  73  23.936  -0.033   8.527
  609   2HD1  LEU  73          2HD1      LEU  73  24.292   0.709  10.087
  610   3HD1  LEU  73          3HD1      LEU  73  25.376   0.966   8.720
  611   1HD2  LEU  73          1HD2      LEU  73  23.092   3.155   6.810
  612   2HD2  LEU  73          2HD2      LEU  73  23.251   1.413   6.590
  613   3HD2  LEU  73          3HD2      LEU  73  24.689   2.408   6.826
  614    HA   PRO  74           HA       PRO  74  19.307   5.140  11.579
  615   1HB   PRO  74          2HB       PRO  74  20.068   7.460  10.463
  616   2HB   PRO  74          1HB       PRO  74  20.979   6.742  11.807
  617   1HG   PRO  74          2HG       PRO  74  21.620   6.801   8.907
  618   2HG   PRO  74          1HG       PRO  74  22.702   6.888  10.306
  619   1HD   PRO  74          2HD       PRO  74  22.160   4.576   8.775
  620   2HD   PRO  74          1HD       PRO  74  22.964   4.616  10.357
  621    H    CYS  75           H        CYS  75  20.131   4.622   8.211
  622    HA   CYS  75           HA       CYS  75  17.310   5.302   7.487
  623   1HB   CYS  75          2HB       CYS  75  19.168   7.044   6.849
  624   2HB   CYS  75          1HB       CYS  75  19.555   5.886   5.578
  625    H    HIS  76           H        HIS  76  18.862   2.740   7.962
  626    HA   HIS  76           HA       HIS  76  18.677   1.534   5.234
  627   1HB   HIS  76          2HB       HIS  76  20.758   1.205   6.667
  628   2HB   HIS  76          1HB       HIS  76  19.753   0.243   7.753
  629    HD1  HIS  76           1HD      HIS  76  19.540   0.251   3.963
  630    HD2  HIS  76           2HD      HIS  76  20.665  -2.311   7.058
  631    HE1  HIS  76           1HE      HIS  76  19.956  -2.014   2.904
  632    HE2  HIS  76           2HE      HIS  76  20.640  -3.580   4.779
  633    H    TYR  77           H        TYR  77  17.216  -0.174   4.853
  634    HA   TYR  77           HA       TYR  77  15.448  -0.960   7.130
  635   1HB   TYR  77          2HB       TYR  77  14.255  -0.517   4.418
  636   2HB   TYR  77          1HB       TYR  77  13.482  -0.448   5.999
  637    HD1  TYR  77           1HD      TYR  77  13.867   1.512   7.496
  638    HD2  TYR  77           2HD      TYR  77  15.320   1.403   3.456
  639    HE1  TYR  77           1HE      TYR  77  14.180   3.970   7.542
  640    HE2  TYR  77           2HE      TYR  77  15.635   3.865   3.502
  641    HH   TYR  77           HH       TYR  77  15.588   5.695   4.765
  642    H    LYS  78           H        LYS  78  14.197  -2.942   6.648
  643    HA   LYS  78           HA       LYS  78  15.747  -4.771   4.861
  644   1HB   LYS  78          2HB       LYS  78  14.203  -5.165   7.415
  645   2HB   LYS  78          1HB       LYS  78  14.398  -6.522   6.304
  646   1HG   LYS  78          2HG       LYS  78  16.819  -4.907   7.049
  647   2HG   LYS  78          1HG       LYS  78  16.191  -6.080   8.205
  648   1HD   LYS  78          2HD       LYS  78  16.328  -7.851   6.493
  649   2HD   LYS  78          1HD       LYS  78  16.960  -6.683   5.333
  650   1HE   LYS  78          2HE       LYS  78  18.966  -6.374   6.583
  651   2HE   LYS  78          1HE       LYS  78  18.298  -7.191   7.996
  652   1HZ   LYS  78          1HZ       LYS  78  19.865  -8.531   6.584
  653   2HZ   LYS  78          2HZ       LYS  78  18.659  -8.547   5.388
  654   3HZ   LYS  78          3HZ       LYS  78  18.366  -9.256   6.904
  655    H    LEU  79           H        LEU  79  14.540  -6.169   3.456
  656    HA   LEU  79           HA       LEU  79  11.950  -5.009   2.631
  657   1HB   LEU  79          2HB       LEU  79  13.993  -5.809   1.120
  658   2HB   LEU  79          1HB       LEU  79  13.185  -7.370   1.251
  659    HG   LEU  79           HG       LEU  79  11.849  -4.805   0.331
  660   1HD1  LEU  79          1HD1      LEU  79  13.633  -5.835  -1.197
  661   2HD1  LEU  79          2HD1      LEU  79  12.027  -5.627  -1.896
  662   3HD1  LEU  79          3HD1      LEU  79  12.550  -7.219  -1.348
  663   1HD2  LEU  79          1HD2      LEU  79  10.155  -6.606  -0.492
  664   2HD2  LEU  79          2HD2      LEU  79  10.151  -6.181   1.218
  665   3HD2  LEU  79          3HD2      LEU  79  10.942  -7.663   0.680
  666    H    SER  80           H        SER  80  10.070  -5.874   3.314
  667    HA   SER  80           HA       SER  80   9.929  -8.798   3.869
  668   1HB   SER  80          2HB       SER  80  10.128  -8.103   6.086
  669   2HB   SER  80          1HB       SER  80   9.371  -6.545   5.772
  670    HG   SER  80           HG       SER  80   8.165  -9.100   5.976
  671    H    SER  81           H        SER  81   8.231  -9.595   2.733
  672    HA   SER  81           HA       SER  81   5.801  -7.898   2.403
  673   1HB   SER  81          2HB       SER  81   7.474  -7.913   0.373
  674   2HB   SER  81          1HB       SER  81   6.816  -9.520   0.082
  675    HG   SER  81           HG       SER  81   4.807  -8.644  -0.160
  676    H    SER  82           H        SER  82   3.879  -9.178   1.870
  677    HA   SER  82           HA       SER  82   4.029 -12.087   1.894
  678   1HB   SER  82          2HB       SER  82   2.910 -12.456   4.016
  679   2HB   SER  82          1HB       SER  82   4.356 -11.497   4.320
  680    HG   SER  82           HG       SER  82   2.589 -10.580   5.378
  681    H    THR  83           H        THR  83   1.801 -13.036   1.813
  682    HA   THR  83           HA       THR  83  -0.033 -11.131   0.463
  683    HB   THR  83           HB       THR  83  -0.916 -13.648  -0.141
  684    HG1  THR  83           1HG      THR  83   0.937 -14.875  -0.518
  685   1HG2  THR  83          1HG2      THR  83   0.263 -13.329  -2.280
  686   2HG2  THR  83          2HG2      THR  83   1.280 -12.100  -1.528
  687   3HG2  THR  83          3HG2      THR  83  -0.450 -11.814  -1.724
  688    H    ASN  84           H        ASN  84  -1.767 -10.542   1.659
  689    HA   ASN  84           HA       ASN  84  -3.305 -12.559   3.125
  690   1HB   ASN  84          2HB       ASN  84  -1.632 -12.070   4.823
  691   2HB   ASN  84          1HB       ASN  84  -1.876 -10.336   4.614
  692   1HD2  ASN  84          1HD2      ASN  84  -2.522 -10.222   6.934
  693   2HD2  ASN  84          2HD2      ASN  84  -4.074 -10.725   7.404
  694    H    THR  85           H        THR  85  -5.400 -11.682   3.824
  695    HA   THR  85           HA       THR  85  -6.441  -9.700   2.039
  696    HB   THR  85           HB       THR  85  -8.028 -10.007   4.469
  697    HG1  THR  85           1HG      THR  85  -6.691 -12.215   3.426
  698   1HG2  THR  85          1HG2      THR  85  -9.576 -11.115   2.793
  699   2HG2  THR  85          2HG2      THR  85  -8.325 -10.857   1.579
  700   3HG2  THR  85          3HG2      THR  85  -9.076  -9.478   2.382
  701    H    ILE  86           H        ILE  86  -7.429  -7.595   2.805
  702    HA   ILE  86           HA       ILE  86  -6.190  -6.458   5.231
  703    HB   ILE  86           HB       ILE  86  -4.737  -5.023   4.201
  704   1HG1  ILE  86          2HG1      ILE  86  -6.504  -3.677   3.151
  705   2HG1  ILE  86          1HG1      ILE  86  -5.172  -3.916   2.029
  706   1HG2  ILE  86          1HG2      ILE  86  -4.075  -7.172   3.255
  707   2HG2  ILE  86          2HG2      ILE  86  -3.833  -5.902   2.059
  708   3HG2  ILE  86          3HG2      ILE  86  -5.225  -6.974   1.931
  709   1HD1  ILE  86          1HD1      ILE  86  -6.584  -4.808   0.537
  710   2HD1  ILE  86          2HD1      ILE  86  -7.921  -4.603   1.665
  711   3HD1  ILE  86          3HD1      ILE  86  -6.980  -6.090   1.676
  712    H    CYS  87           H        CYS  87  -7.087  -4.238   5.671
  713    HA   CYS  87           HA       CYS  87  -9.834  -3.967   4.507
  714   1HB   CYS  87          2HB       CYS  87  -9.473  -4.570   7.039
  715   2HB   CYS  87          1HB       CYS  87  -9.065  -2.866   7.199
  716    H    ILE  88           H        ILE  88 -10.326  -1.980   3.615
  717    HA   ILE  88           HA       ILE  88  -8.599   0.342   4.266
  718    HB   ILE  88           HB       ILE  88  -7.313  -0.031   2.431
  719   1HG1  ILE  88          2HG1      ILE  88  -9.808   0.509   0.796
  720   2HG1  ILE  88          1HG1      ILE  88  -8.921   1.776   1.639
  721   1HG2  ILE  88          1HG2      ILE  88  -7.944  -1.643   0.641
  722   2HG2  ILE  88          2HG2      ILE  88  -9.516  -1.845   1.412
  723   3HG2  ILE  88          3HG2      ILE  88  -8.053  -2.346   2.252
  724   1HD1  ILE  88          1HD1      ILE  88  -6.983   0.276   0.209
  725   2HD1  ILE  88          2HD1      ILE  88  -7.530   1.919  -0.120
  726   3HD1  ILE  88          3HD1      ILE  88  -8.325   0.552  -0.899
  727    H    THR  89           H        THR  89  -9.581   2.379   3.647
  728    HA   THR  89           HA       THR  89 -12.526   2.157   3.435
  729    HB   THR  89           HB       THR  89 -10.658   4.438   4.078
  730    HG1  THR  89           1HG      THR  89 -12.743   3.142   5.488
  731   1HG2  THR  89          1HG2      THR  89 -12.342   5.513   2.819
  732   2HG2  THR  89          2HG2      THR  89 -12.869   5.687   4.492
  733   3HG2  THR  89          3HG2      THR  89 -13.605   4.461   3.459
  734    H    CYS  90           H        CYS  90 -13.561   2.503   1.565
  735    HA   CYS  90           HA       CYS  90 -12.173   3.998  -0.622
  736   1HB   CYS  90          2HB       CYS  90 -12.119   1.489  -0.943
  737   2HB   CYS  90          1HB       CYS  90 -13.881   1.521  -0.996
  738    H    VAL  91           H        VAL  91 -13.541   5.330  -1.846
  739    HA   VAL  91           HA       VAL  91 -16.131   5.948  -0.627
  740    HB   VAL  91           HB       VAL  91 -16.189   7.809  -2.212
  741   1HG1  VAL  91          1HG1      VAL  91 -14.680   7.820  -0.135
  742   2HG1  VAL  91          2HG1      VAL  91 -14.305   9.007  -1.384
  743   3HG1  VAL  91          3HG1      VAL  91 -13.339   7.538  -1.243
  744   1HG2  VAL  91          1HG2      VAL  91 -14.149   8.040  -3.752
  745   2HG2  VAL  91          2HG2      VAL  91 -15.346   6.831  -4.219
  746   3HG2  VAL  91          3HG2      VAL  91 -13.847   6.331  -3.432
  747    H    ASN  92           H        ASN  92 -17.353   6.796  -3.157
  748    HA   ASN  92           HA       ASN  92 -19.020   4.675  -3.757
  749   1HB   ASN  92          2HB       ASN  92 -18.033   6.958  -5.442
  750   2HB   ASN  92          1HB       ASN  92 -19.161   5.775  -6.106
  751   1HD2  ASN  92          1HD2      ASN  92 -21.040   7.127  -6.167
  752   2HD2  ASN  92          2HD2      ASN  92 -21.757   7.773  -4.771
  753    H    GLN  93           H        GLN  93 -15.855   5.291  -5.027
  754    HA   GLN  93           HA       GLN  93 -15.349   2.560  -5.673
  755   1HB   GLN  93          2HB       GLN  93 -15.255   2.893  -8.209
  756   2HB   GLN  93          1HB       GLN  93 -16.867   2.756  -7.508
  757   1HG   GLN  93          2HG       GLN  93 -17.145   5.167  -7.533
  758   2HG   GLN  93          1HG       GLN  93 -15.479   5.393  -8.066
  759   1HE2  GLN  93          1HE2      GLN  93 -15.009   5.102 -10.311
  760   2HE2  GLN  93          2HE2      GLN  93 -16.203   4.753 -11.467
  761    H    LEU  94           H        LEU  94 -13.902   4.458  -4.322
  762    HA   LEU  94           HA       LEU  94 -11.461   4.614  -5.977
  763   1HB   LEU  94          2HB       LEU  94 -13.148   6.870  -5.617
  764   2HB   LEU  94          1HB       LEU  94 -11.748   7.134  -4.582
  765    HG   LEU  94           HG       LEU  94 -10.299   6.534  -6.590
  766   1HD1  LEU  94          1HD1      LEU  94 -11.667   5.453  -8.135
  767   2HD1  LEU  94          2HD1      LEU  94 -11.645   7.088  -8.790
  768   3HD1  LEU  94          3HD1      LEU  94 -13.028   6.536  -7.848
  769   1HD2  LEU  94          1HD2      LEU  94 -10.592   8.782  -7.620
  770   2HD2  LEU  94          2HD2      LEU  94 -10.608   8.851  -5.859
  771   3HD2  LEU  94          3HD2      LEU  94 -12.121   8.954  -6.758
  772    HA   PRO  95           HA       PRO  95 -10.294   3.460  -1.737
  773   1HB   PRO  95          2HB       PRO  95  -7.827   2.482  -2.321
  774   2HB   PRO  95          1HB       PRO  95  -9.315   1.580  -2.671
  775   1HG   PRO  95          2HG       PRO  95  -7.583   3.154  -4.508
  776   2HG   PRO  95          1HG       PRO  95  -8.423   1.618  -4.784
  777   1HD   PRO  95          2HD       PRO  95  -9.348   4.069  -5.671
  778   2HD   PRO  95          1HD       PRO  95 -10.390   2.656  -5.383
  779    H    ILE  96           H        ILE  96  -9.246   4.725  -0.147
  780    HA   ILE  96           HA       ILE  96  -7.034   6.487  -1.056
  781    HB   ILE  96           HB       ILE  96  -8.101   8.428   0.099
  782   1HG1  ILE  96          2HG1      ILE  96 -10.778   7.922   0.146
  783   2HG1  ILE  96          1HG1      ILE  96 -10.173   6.330   0.596
  784   1HG2  ILE  96          1HG2      ILE  96  -9.341   9.040  -1.786
  785   2HG2  ILE  96          2HG2      ILE  96 -10.022   7.427  -1.990
  786   3HG2  ILE  96          3HG2      ILE  96  -8.347   7.736  -2.430
  787   1HD1  ILE  96          1HD1      ILE  96  -8.683   7.633   2.289
  788   2HD1  ILE  96          2HD1      ILE  96 -10.390   7.416   2.660
  789   3HD1  ILE  96          3HD1      ILE  96  -9.816   8.953   2.019
  790    H    HIS  97           H        HIS  97  -8.662   4.822   1.641
  791    HA   HIS  97           HA       HIS  97  -6.342   5.716   3.341
  792   1HB   HIS  97          2HB       HIS  97  -9.058   5.972   3.875
  793   2HB   HIS  97          1HB       HIS  97  -8.588   4.557   4.815
  794    HD1  HIS  97           1HD      HIS  97  -5.938   5.142   5.929
  795    HD2  HIS  97           2HD      HIS  97  -8.769   8.177   5.497
  796    HE1  HIS  97           1HE      HIS  97  -5.262   6.988   7.529
  797    HE2  HIS  97           2HE      HIS  97  -6.977   8.839   7.274
  798    H    PHE  98           H        PHE  98  -5.082   4.201   4.310
  799    HA   PHE  98           HA       PHE  98  -5.644   1.343   3.651
  800   1HB   PHE  98          2HB       PHE  98  -3.479   2.011   2.865
  801   2HB   PHE  98          1HB       PHE  98  -3.110   2.838   4.377
  802    HD1  PHE  98           1HD      PHE  98  -2.162   1.671   6.219
  803    HD2  PHE  98           2HD      PHE  98  -3.734  -0.512   2.869
  804    HE1  PHE  98           1HE      PHE  98  -1.176  -0.419   7.117
  805    HE2  PHE  98           2HE      PHE  98  -2.749  -2.602   3.769
  806    HZ   PHE  98           HZ       PHE  98  -1.468  -2.555   5.893
  807    H    ALA  99           H        ALA  99  -6.835   0.497   5.325
  808    HA   ALA  99           HA       ALA  99  -6.729   1.414   8.031
  809   1HB   ALA  99          1HB       ALA  99  -7.468  -1.421   7.420
  810   2HB   ALA  99          2HB       ALA  99  -8.460  -0.134   6.737
  811   3HB   ALA  99          3HB       ALA  99  -8.264  -0.264   8.484
  812    H    GLY 100           H        GLY 100  -5.714  -1.853   6.979
  813   1HA   GLY 100          2HA       GLY 100  -3.060  -1.595   8.105
  814   2HA   GLY 100          1HA       GLY 100  -4.136  -2.474   9.193
  815    H    VAL 101           H        VAL 101  -3.720  -4.622   8.957
  816    HA   VAL 101           HA       VAL 101  -3.707  -5.735   6.184
  817    HB   VAL 101           HB       VAL 101  -1.376  -5.649   6.887
  818   1HG1  VAL 101          1HG1      VAL 101  -1.888  -5.508   9.340
  819   2HG1  VAL 101          2HG1      VAL 101  -0.617  -6.671   8.957
  820   3HG1  VAL 101          3HG1      VAL 101  -2.249  -7.234   9.320
  821   1HG2  VAL 101          1HG2      VAL 101  -2.317  -8.484   7.360
  822   2HG2  VAL 101          2HG2      VAL 101  -0.825  -7.949   6.588
  823   3HG2  VAL 101          3HG2      VAL 101  -2.368  -7.737   5.764
  824    H    GLY 102           H        GLY 102  -4.897  -7.605   5.985
  825   1HA   GLY 102          2HA       GLY 102  -5.991  -9.596   6.719
  826   2HA   GLY 102          1HA       GLY 102  -5.628  -9.156   8.387
  827    H    SER 103           H        SER 103  -7.899  -9.634   8.867
  828    HA   SER 103           HA       SER 103 -10.063  -8.214   7.626
  829   1HB   SER 103          2HB       SER 103 -10.443 -10.262   8.916
  830   2HB   SER 103          1HB       SER 103  -9.870  -9.469  10.379
  831    HG   SER 103           HG       SER 103 -11.603  -7.946  10.058
  832    H    CYS 104           H        CYS 104 -11.258  -6.418   8.451
  833    HA   CYS 104           HA       CYS 104  -9.789  -4.194   9.319
  834   1HB   CYS 104          2HB       CYS 104 -12.552  -4.835   8.869
  835   2HB   CYS 104          1HB       CYS 104 -12.437  -3.942  10.383
  836    HA   PRO 105           HA       PRO 105  -8.924  -4.295  13.638
  837   1HB   PRO 105          2HB       PRO 105 -11.123  -2.313  14.122
  838   2HB   PRO 105          1HB       PRO 105  -9.437  -2.284  14.680
  839   1HG   PRO 105          2HG       PRO 105 -10.250  -0.766  12.649
  840   2HG   PRO 105          1HG       PRO 105  -8.641  -1.511  12.666
  841   1HD   PRO 105          2HD       PRO 105 -11.022  -2.228  11.029
  842   2HD   PRO 105          1HD       PRO 105  -9.296  -2.464  10.676
  Start of MODEL    4
    1    HN   PCA   1           H        PCA   1  -6.420   8.909   1.157
    2    HA   PCA   1           HA       PCA   1  -7.450  11.189   2.091
    3   1HB   PCA   1          1HB       PCA   1  -5.831  12.698   2.614
    4   2HB   PCA   1          2HB       PCA   1  -5.031  12.466   1.077
    5   1HG   PCA   1          1HG       PCA   1  -4.682  11.187   3.611
    6   2HG   PCA   1          2HG       PCA   1  -3.587  11.314   2.216
    7    H    ASP   2           H        ASP   2  -5.805   9.889  -0.641
    8    HA   ASP   2           HA       ASP   2  -7.863  10.885  -2.417
    9   1HB   ASP   2          2HB       ASP   2  -5.163  12.219  -2.352
   10   2HB   ASP   2          1HB       ASP   2  -6.020  12.064  -3.885
   11    H    TRP   3           H        TRP   3  -8.031   9.370  -4.016
   12    HA   TRP   3           HA       TRP   3  -6.557   7.021  -4.089
   13   1HB   TRP   3          2HB       TRP   3  -8.559   7.051  -5.339
   14   2HB   TRP   3          1HB       TRP   3  -8.070   8.479  -6.245
   15    HD1  TRP   3           HD       TRP   3  -7.971   7.648  -8.639
   16    HE1  TRP   3           1HE      TRP   3  -6.706   5.786  -9.888
   17    HE3  TRP   3           3HE      TRP   3  -5.927   5.116  -4.674
   18    HZ2  TRP   3           2HZ      TRP   3  -5.062   3.533  -9.300
   19    HZ3  TRP   3           3HZ      TRP   3  -4.525   3.123  -5.061
   20    HH2  TRP   3           HH       TRP   3  -4.088   2.324  -7.366
   21    H    GLU   4           H        GLU   4  -5.715  10.119  -5.517
   22    HA   GLU   4           HA       GLU   4  -3.642   9.194  -7.258
   23   1HB   GLU   4          2HB       GLU   4  -4.076  11.821  -5.817
   24   2HB   GLU   4          1HB       GLU   4  -2.718  11.556  -6.913
   25   1HG   GLU   4          2HG       GLU   4  -4.208  11.099  -8.760
   26   2HG   GLU   4          1HG       GLU   4  -5.612  11.112  -7.693
   27    H    THR   5           H        THR   5  -2.879  11.082  -4.333
   28    HA   THR   5           HA       THR   5  -0.296  10.058  -3.982
   29    HB   THR   5           HB       THR   5  -1.167  11.941  -2.667
   30    HG1  THR   5           1HG      THR   5   0.429  10.153  -1.865
   31   1HG2  THR   5          1HG2      THR   5  -3.431  10.693  -2.323
   32   2HG2  THR   5          2HG2      THR   5  -2.834  11.730  -1.027
   33   3HG2  THR   5          3HG2      THR   5  -2.635   9.981  -0.920
   34    H    PHE   6           H        PHE   6  -3.325   8.829  -2.543
   35    HA   PHE   6           HA       PHE   6  -2.295   6.662  -1.097
   36   1HB   PHE   6          2HB       PHE   6  -4.741   7.434  -1.331
   37   2HB   PHE   6          1HB       PHE   6  -4.788   6.459  -2.797
   38    HD1  PHE   6           1HD      PHE   6  -4.068   6.302   0.863
   39    HD2  PHE   6           2HD      PHE   6  -5.074   4.114  -2.694
   40    HE1  PHE   6           1HE      PHE   6  -4.458   4.266   2.222
   41    HE2  PHE   6           2HE      PHE   6  -5.463   2.079  -1.335
   42    HZ   PHE   6           HZ       PHE   6  -5.157   2.155   1.123
   43    H    GLN   7           H        GLN   7  -2.496   7.152  -4.531
   44    HA   GLN   7           HA       GLN   7  -1.901   4.318  -5.122
   45   1HB   GLN   7          2HB       GLN   7  -3.428   5.590  -6.613
   46   2HB   GLN   7          1HB       GLN   7  -2.117   6.704  -6.987
   47   1HG   GLN   7          2HG       GLN   7  -1.728   3.749  -7.392
   48   2HG   GLN   7          1HG       GLN   7  -2.594   4.696  -8.601
   49   1HE2  GLN   7          1HE2      GLN   7  -1.222   7.068  -8.737
   50   2HE2  GLN   7          2HE2      GLN   7   0.404   6.810  -9.148
   51    H    LYS   8           H        LYS   8  -0.264   7.301  -4.565
   52    HA   LYS   8           HA       LYS   8   2.165   6.468  -6.018
   53   1HB   LYS   8          2HB       LYS   8   1.751   8.868  -4.221
   54   2HB   LYS   8          1HB       LYS   8   3.040   8.637  -5.401
   55   1HG   LYS   8          2HG       LYS   8   0.186   8.487  -6.333
   56   2HG   LYS   8          1HG       LYS   8   0.897  10.068  -6.024
   57   1HD   LYS   8          2HD       LYS   8   2.733   9.579  -7.570
   58   2HD   LYS   8          1HD       LYS   8   2.095   7.957  -7.843
   59   1HE   LYS   8          2HE       LYS   8   0.113   8.822  -8.891
   60   2HE   LYS   8          1HE       LYS   8   0.502  10.471  -8.398
   61   1HZ   LYS   8          1HZ       LYS   8   1.189  10.370 -10.595
   62   2HZ   LYS   8          2HZ       LYS   8   1.813   8.797 -10.445
   63   3HZ   LYS   8          3HZ       LYS   8   2.630  10.110  -9.739
   64    H    LYS   9           H        LYS   9   1.352   7.220  -2.592
   65    HA   LYS   9           HA       LYS   9   3.940   6.082  -1.771
   66   1HB   LYS   9          2HB       LYS   9   2.947   6.650   0.574
   67   2HB   LYS   9          1HB       LYS   9   3.425   7.967  -0.496
   68   1HG   LYS   9          2HG       LYS   9   1.122   8.278  -1.220
   69   2HG   LYS   9          1HG       LYS   9   0.603   6.876  -0.285
   70   1HD   LYS   9          2HD       LYS   9   1.560   8.095   1.766
   71   2HD   LYS   9          1HD       LYS   9   1.617   9.530   0.742
   72   1HE   LYS   9          2HE       LYS   9  -0.489   9.671   1.809
   73   2HE   LYS   9          1HE       LYS   9  -0.860   9.018   0.214
   74   1HZ   LYS   9          1HZ       LYS   9  -1.796   7.891   2.345
   75   2HZ   LYS   9          2HZ       LYS   9  -0.261   7.167   2.412
   76   3HZ   LYS   9          3HZ       LYS   9  -1.251   6.941   1.050
   77    H    HIS  10           H        HIS  10   0.502   5.342  -0.968
   78    HA   HIS  10           HA       HIS  10   1.202   2.951   0.478
   79   1HB   HIS  10          2HB       HIS  10  -1.396   3.876  -0.755
   80   2HB   HIS  10          1HB       HIS  10  -1.249   2.391   0.182
   81    HD1  HIS  10           1HD      HIS  10  -2.841   3.510   1.997
   82    HD2  HIS  10           2HD      HIS  10   0.853   5.383   1.501
   83    HE1  HIS  10           1HE      HIS  10  -2.535   5.037   3.998
   84    HE2  HIS  10           2HE      HIS  10  -0.291   6.182   3.704
   85    H    LEU  11           H        LEU  11   0.997   3.558  -2.921
   86    HA   LEU  11           HA       LEU  11   1.078   0.588  -3.372
   87   1HB   LEU  11          2HB       LEU  11  -0.445   2.742  -4.734
   88   2HB   LEU  11          1HB       LEU  11   0.290   1.547  -5.794
   89    HG   LEU  11           HG       LEU  11  -0.779  -0.253  -4.420
   90   1HD1  LEU  11          1HD1      LEU  11  -1.160   0.749  -2.314
   91   2HD1  LEU  11          2HD1      LEU  11  -2.770   0.630  -3.014
   92   3HD1  LEU  11          3HD1      LEU  11  -1.914   2.172  -3.025
   93   1HD2  LEU  11          1HD2      LEU  11  -3.062   0.141  -5.297
   94   2HD2  LEU  11          2HD2      LEU  11  -1.830   0.544  -6.493
   95   3HD2  LEU  11          3HD2      LEU  11  -2.643   1.828  -5.597
   96    H    THR  12           H        THR  12   2.582  -0.162  -4.915
   97    HA   THR  12           HA       THR  12   4.507   1.898  -5.940
   98    HB   THR  12           HB       THR  12   5.701   0.843  -4.173
   99    HG1  THR  12           1HG      THR  12   7.283   0.535  -5.479
  100   1HG2  THR  12          1HG2      THR  12   4.033  -1.433  -4.856
  101   2HG2  THR  12          2HG2      THR  12   4.949  -1.128  -3.382
  102   3HG2  THR  12          3HG2      THR  12   5.727  -1.911  -4.755
  103    H    ASP  13           H        ASP  13   6.093   0.218  -7.483
  104    HA   ASP  13           HA       ASP  13   4.100  -0.914  -9.417
  105   1HB   ASP  13          2HB       ASP  13   5.150   1.178 -10.217
  106   2HB   ASP  13          1HB       ASP  13   6.741   0.441 -10.025
  107    H    THR  14           H        THR  14   6.303  -1.967  -7.243
  108    HA   THR  14           HA       THR  14   6.911  -4.339  -8.933
  109    HB   THR  14           HB       THR  14   8.875  -2.831  -9.113
  110    HG1  THR  14           1HG      THR  14   8.882  -5.290  -8.689
  111   1HG2  THR  14          1HG2      THR  14   9.138  -3.236  -6.126
  112   2HG2  THR  14          2HG2      THR  14   8.496  -1.766  -6.859
  113   3HG2  THR  14          3HG2      THR  14  10.165  -2.248  -7.164
  114    H    LYS  15           H        LYS  15   7.446  -6.229  -7.675
  115    HA   LYS  15           HA       LYS  15   6.022  -6.347  -5.145
  116   1HB   LYS  15          2HB       LYS  15   7.881  -8.446  -6.291
  117   2HB   LYS  15          1HB       LYS  15   6.541  -8.692  -5.170
  118   1HG   LYS  15          2HG       LYS  15   4.919  -8.129  -6.862
  119   2HG   LYS  15          1HG       LYS  15   6.178  -7.592  -7.971
  120   1HD   LYS  15          2HD       LYS  15   5.686  -9.745  -8.762
  121   2HD   LYS  15          1HD       LYS  15   7.097 -10.025  -7.744
  122   1HE   LYS  15          2HE       LYS  15   5.317 -11.687  -7.300
  123   2HE   LYS  15          1HE       LYS  15   5.635 -10.692  -5.880
  124   1HZ   LYS  15          1HZ       LYS  15   3.222 -11.056  -6.560
  125   2HZ   LYS  15          2HZ       LYS  15   3.534  -9.966  -7.826
  126   3HZ   LYS  15          3HZ       LYS  15   3.703  -9.468  -6.210
  127    H    LYS  16           H        LYS  16   9.293  -5.783  -6.120
  128    HA   LYS  16           HA       LYS  16  10.173  -5.946  -3.258
  129   1HB   LYS  16          2HB       LYS  16  11.827  -6.332  -5.774
  130   2HB   LYS  16          1HB       LYS  16  12.438  -6.408  -4.122
  131   1HG   LYS  16          2HG       LYS  16  11.347  -8.421  -3.662
  132   2HG   LYS  16          1HG       LYS  16  10.136  -8.170  -4.919
  133   1HD   LYS  16          2HD       LYS  16  11.655  -8.724  -6.653
  134   2HD   LYS  16          1HD       LYS  16  13.053  -8.560  -5.591
  135   1HE   LYS  16          2HE       LYS  16  12.410 -10.950  -6.063
  136   2HE   LYS  16          1HE       LYS  16  12.425 -10.539  -4.348
  137   1HZ   LYS  16          1HZ       LYS  16   9.899  -9.997  -5.558
  138   2HZ   LYS  16          2HZ       LYS  16  10.260 -10.930  -4.185
  139   3HZ   LYS  16          3HZ       LYS  16  10.336 -11.626  -5.733
  140    H    VAL  17           H        VAL  17   9.183  -3.647  -3.415
  141    HA   VAL  17           HA       VAL  17  10.259  -1.568  -4.959
  142    HB   VAL  17           HB       VAL  17   9.624  -0.050  -3.137
  143   1HG1  VAL  17          1HG1      VAL  17   7.937  -1.287  -4.646
  144   2HG1  VAL  17          2HG1      VAL  17   7.316  -0.509  -3.190
  145   3HG1  VAL  17          3HG1      VAL  17   7.576  -2.252  -3.218
  146   1HG2  VAL  17          1HG2      VAL  17  10.351  -1.107  -1.159
  147   2HG2  VAL  17          2HG2      VAL  17   9.572  -2.633  -1.579
  148   3HG2  VAL  17          3HG2      VAL  17   8.597  -1.254  -1.073
  149    H    LYS  18           H        LYS  18  11.662   0.229  -4.018
  150    HA   LYS  18           HA       LYS  18  14.139  -1.020  -2.944
  151   1HB   LYS  18          2HB       LYS  18  15.128   1.261  -3.651
  152   2HB   LYS  18          1HB       LYS  18  14.636   0.168  -4.945
  153   1HG   LYS  18          2HG       LYS  18  12.491   1.343  -5.156
  154   2HG   LYS  18          1HG       LYS  18  12.929   2.410  -3.821
  155   1HD   LYS  18          2HD       LYS  18  13.549   3.733  -5.628
  156   2HD   LYS  18          1HD       LYS  18  15.065   2.885  -5.325
  157   1HE   LYS  18          2HE       LYS  18  14.322   1.150  -7.014
  158   2HE   LYS  18          1HE       LYS  18  12.976   2.217  -7.413
  159   1HZ   LYS  18          1HZ       LYS  18  14.571   2.844  -8.924
  160   2HZ   LYS  18          2HZ       LYS  18  15.858   2.629  -7.837
  161   3HZ   LYS  18          3HZ       LYS  18  14.828   3.971  -7.683
  162    H    CYS  19           H        CYS  19  12.710  -0.997  -0.898
  163    HA   CYS  19           HA       CYS  19  11.730   0.988   0.595
  164   1HB   CYS  19          2HB       CYS  19  13.721  -1.115   1.424
  165   2HB   CYS  19          1HB       CYS  19  13.029   0.001   2.602
  166    H    ASP  20           H        ASP  20  15.232   0.648   0.013
  167    HA   ASP  20           HA       ASP  20  16.249   2.597   1.728
  168   1HB   ASP  20          2HB       ASP  20  17.733   1.279   0.336
  169   2HB   ASP  20          1HB       ASP  20  17.054   1.986  -1.131
  170    H    VAL  21           H        VAL  21  14.713   3.064  -1.428
  171    HA   VAL  21           HA       VAL  21  14.777   6.012  -0.991
  172    HB   VAL  21           HB       VAL  21  13.747   4.745  -3.503
  173   1HG1  VAL  21          1HG1      VAL  21  15.410   7.205  -2.882
  174   2HG1  VAL  21          2HG1      VAL  21  13.691   7.180  -3.273
  175   3HG1  VAL  21          3HG1      VAL  21  14.878   6.729  -4.495
  176   1HG2  VAL  21          1HG2      VAL  21  16.141   4.721  -4.339
  177   2HG2  VAL  21          2HG2      VAL  21  15.759   3.466  -3.161
  178   3HG2  VAL  21          3HG2      VAL  21  16.652   4.903  -2.661
  179    H    GLU  22           H        GLU  22  12.628   3.237  -1.432
  180    HA   GLU  22           HA       GLU  22  10.171   4.611  -1.720
  181   1HB   GLU  22          2HB       GLU  22  10.974   1.943  -1.322
  182   2HB   GLU  22          1HB       GLU  22   9.898   2.296   0.028
  183   1HG   GLU  22          2HG       GLU  22   9.289   2.587  -2.927
  184   2HG   GLU  22          1HG       GLU  22   8.540   1.468  -1.789
  185    H    MET  23           H        MET  23  12.395   4.782   0.741
  186    HA   MET  23           HA       MET  23  10.355   5.847   2.662
  187   1HB   MET  23          2HB       MET  23  12.857   4.231   3.215
  188   2HB   MET  23          1HB       MET  23  12.016   5.150   4.462
  189   1HG   MET  23          2HG       MET  23   9.901   3.859   3.703
  190   2HG   MET  23          1HG       MET  23  11.029   2.768   2.898
  191   1HE   MET  23          1HE       MET  23  11.569   4.566   6.682
  192   2HE   MET  23          2HE       MET  23  10.229   3.574   7.249
  193   3HE   MET  23          3HE       MET  23  10.008   4.626   5.855
  194    H    ALA  24           H        ALA  24  13.795   5.945   1.697
  195    HA   ALA  24           HA       ALA  24  14.334   8.425   3.061
  196   1HB   ALA  24          1HB       ALA  24  15.799   7.344   0.642
  197   2HB   ALA  24          2HB       ALA  24  16.053   6.726   2.274
  198   3HB   ALA  24          3HB       ALA  24  16.435   8.407   1.898
  199    H    LYS  25           H        LYS  25  12.215   7.916   0.663
  200    HA   LYS  25           HA       LYS  25  12.747   9.770  -1.389
  201   1HB   LYS  25          2HB       LYS  25  10.274   8.682  -0.114
  202   2HB   LYS  25          1HB       LYS  25  10.080  10.103  -1.132
  203   1HG   LYS  25          2HG       LYS  25  10.518   8.957  -3.053
  204   2HG   LYS  25          1HG       LYS  25  11.780   7.982  -2.306
  205   1HD   LYS  25          2HD       LYS  25   9.987   6.490  -2.843
  206   2HD   LYS  25          1HD       LYS  25   9.945   6.721  -1.095
  207   1HE   LYS  25          2HE       LYS  25   7.681   6.891  -2.097
  208   2HE   LYS  25          1HE       LYS  25   8.179   8.403  -1.338
  209   1HZ   LYS  25          1HZ       LYS  25   7.235   8.242  -3.818
  210   2HZ   LYS  25          2HZ       LYS  25   8.898   8.094  -4.131
  211   3HZ   LYS  25          3HZ       LYS  25   8.304   9.455  -3.303
  212    H    ALA  26           H        ALA  26  10.804  11.746  -1.321
  213    HA   ALA  26           HA       ALA  26  11.840  13.539   0.829
  214   1HB   ALA  26          1HB       ALA  26  12.213  14.451  -1.364
  215   2HB   ALA  26          2HB       ALA  26  10.865  15.349  -0.663
  216   3HB   ALA  26          3HB       ALA  26  10.559  14.090  -1.860
  217    H    LEU  27           H        LEU  27   9.062  11.785  -0.160
  218    HA   LEU  27           HA       LEU  27   7.237  13.575   1.370
  219   1HB   LEU  27          2HB       LEU  27   5.423  12.321   0.407
  220   2HB   LEU  27          1HB       LEU  27   6.559  12.680  -0.888
  221    HG   LEU  27           HG       LEU  27   7.535  10.272   0.034
  222   1HD1  LEU  27          1HD1      LEU  27   5.515   8.786   0.173
  223   2HD1  LEU  27          2HD1      LEU  27   4.508  10.228   0.262
  224   3HD1  LEU  27          3HD1      LEU  27   5.667   9.882   1.545
  225   1HD2  LEU  27          1HD2      LEU  27   5.576  10.979  -2.154
  226   2HD2  LEU  27          2HD2      LEU  27   6.154   9.325  -1.954
  227   3HD2  LEU  27          3HD2      LEU  27   7.298  10.623  -2.293
  228    H    PHE  28           H        PHE  28   9.288  11.064   2.004
  229    HA   PHE  28           HA       PHE  28   7.537   9.994   4.193
  230   1HB   PHE  28          2HB       PHE  28   9.660   8.746   2.481
  231   2HB   PHE  28          1HB       PHE  28   9.470   8.160   4.132
  232    HD1  PHE  28           1HD      PHE  28   6.859   7.868   4.834
  233    HD2  PHE  28           2HD      PHE  28   8.434   7.626   0.845
  234    HE1  PHE  28           1HE      PHE  28   4.895   6.525   4.139
  235    HE2  PHE  28           2HE      PHE  28   6.470   6.283   0.151
  236    HZ   PHE  28           HZ       PHE  28   4.701   5.731   1.798
  237    H    ASP  29           H        ASP  29  10.835  11.051   3.376
  238    HA   ASP  29           HA       ASP  29  12.349  12.257   4.723
  239   1HB   ASP  29          2HB       ASP  29  10.058  12.909   5.940
  240   2HB   ASP  29          1HB       ASP  29  10.716  11.867   7.202
  241    H    CYS  30           H        CYS  30  12.584   9.486   4.246
  242    HA   CYS  30           HA       CYS  30  13.578   7.527   5.108
  243   1HB   CYS  30          2HB       CYS  30  15.500   9.023   5.077
  244   2HB   CYS  30          1HB       CYS  30  15.033   9.706   6.633
  245    H    LYS  31           H        LYS  31  11.209   7.549   6.267
  246    HA   LYS  31           HA       LYS  31  11.112   7.938   9.097
  247   1HB   LYS  31          2HB       LYS  31   9.462   5.793   7.807
  248   2HB   LYS  31          1HB       LYS  31   8.991   7.006   8.994
  249   1HG   LYS  31          2HG       LYS  31   9.783   8.466   6.699
  250   2HG   LYS  31          1HG       LYS  31   8.811   7.127   6.097
  251   1HD   LYS  31          2HD       LYS  31   7.965   8.974   8.340
  252   2HD   LYS  31          1HD       LYS  31   7.483   9.174   6.658
  253   1HE   LYS  31          2HE       LYS  31   6.681   6.688   6.852
  254   2HE   LYS  31          1HE       LYS  31   6.724   6.992   8.589
  255   1HZ   LYS  31          1HZ       LYS  31   4.982   8.381   8.482
  256   2HZ   LYS  31          2HZ       LYS  31   4.631   7.546   7.045
  257   3HZ   LYS  31          3HZ       LYS  31   5.440   9.039   6.987
  258    H    LYS  32           H        LYS  32  10.002   5.115   9.523
  259    HA   LYS  32           HA       LYS  32  12.566   3.592   9.647
  260   1HB   LYS  32          2HB       LYS  32  12.094   2.943  11.969
  261   2HB   LYS  32          1HB       LYS  32  12.219   4.697  11.843
  262   1HG   LYS  32          2HG       LYS  32   9.694   4.753  11.590
  263   2HG   LYS  32          1HG       LYS  32   9.691   3.042  12.021
  264   1HD   LYS  32          2HD       LYS  32  10.858   5.262  13.728
  265   2HD   LYS  32          1HD       LYS  32   9.294   4.492  13.999
  266   1HE   LYS  32          2HE       LYS  32  10.640   2.267  14.021
  267   2HE   LYS  32          1HE       LYS  32  12.049   3.299  14.267
  268   1HZ   LYS  32          1HZ       LYS  32   9.705   3.782  15.941
  269   2HZ   LYS  32          2HZ       LYS  32  11.356   3.928  16.315
  270   3HZ   LYS  32          3HZ       LYS  32  10.624   2.395  16.271
  271    H    THR  33           H        THR  33   9.045   3.623   9.699
  272    HA   THR  33           HA       THR  33   9.078   0.743   8.873
  273    HB   THR  33           HB       THR  33   6.849   2.051  10.451
  274    HG1  THR  33           1HG      THR  33   8.625   0.238  11.604
  275   1HG2  THR  33          1HG2      THR  33   6.234   0.054   9.185
  276   2HG2  THR  33          2HG2      THR  33   6.271  -0.325  10.907
  277   3HG2  THR  33          3HG2      THR  33   7.603  -0.826   9.865
  278    H    ASN  34           H        ASN  34   7.847   0.316   7.031
  279    HA   ASN  34           HA       ASN  34   5.891   2.330   6.117
  280   1HB   ASN  34          2HB       ASN  34   8.386   2.787   5.299
  281   2HB   ASN  34          1HB       ASN  34   7.973   1.552   4.111
  282   1HD2  ASN  34          1HD2      ASN  34   8.299   4.613   3.872
  283   2HD2  ASN  34          2HD2      ASN  34   6.872   5.114   3.107
  284    H    THR  35           H        THR  35   4.456   1.508   4.533
  285    HA   THR  35           HA       THR  35   4.809  -1.335   3.721
  286    HB   THR  35           HB       THR  35   2.402  -0.168   5.147
  287    HG1  THR  35           1HG      THR  35   2.996  -1.466   6.723
  288   1HG2  THR  35          1HG2      THR  35   1.514  -2.561   4.796
  289   2HG2  THR  35          2HG2      THR  35   2.725  -2.689   3.521
  290   3HG2  THR  35          3HG2      THR  35   1.455  -1.470   3.412
  291    H    PHE  36           H        PHE  36   3.543  -1.885   1.819
  292    HA   PHE  36           HA       PHE  36   2.047   0.300   0.497
  293   1HB   PHE  36          2HB       PHE  36   4.078  -0.976  -1.267
  294   2HB   PHE  36          1HB       PHE  36   3.450   0.666  -1.287
  295    HD1  PHE  36           1HD      PHE  36   6.043  -1.554  -0.025
  296    HD2  PHE  36           2HD      PHE  36   4.336   2.363   0.315
  297    HE1  PHE  36           1HE      PHE  36   8.093  -0.767   1.101
  298    HE2  PHE  36           2HE      PHE  36   6.392   3.158   1.445
  299    HZ   PHE  36           HZ       PHE  36   8.275   1.589   1.827
  300    H    ILE  37           H        ILE  37   1.288  -0.660  -1.788
  301    HA   ILE  37           HA       ILE  37   0.688  -3.568  -1.411
  302    HB   ILE  37           HB       ILE  37  -1.190  -1.505  -2.577
  303   1HG1  ILE  37          2HG1      ILE  37  -1.677  -2.822   0.078
  304   2HG1  ILE  37          1HG1      ILE  37  -0.560  -1.464   0.027
  305   1HG2  ILE  37          1HG2      ILE  37  -2.845  -3.380  -2.150
  306   2HG2  ILE  37          2HG2      ILE  37  -1.461  -4.419  -1.810
  307   3HG2  ILE  37          3HG2      ILE  37  -1.656  -3.705  -3.411
  308   1HD1  ILE  37          1HD1      ILE  37  -3.232  -1.168   0.334
  309   2HD1  ILE  37          2HD1      ILE  37  -3.121  -1.067  -1.422
  310   3HD1  ILE  37          3HD1      ILE  37  -2.206   0.054  -0.413
  311    H    TYR  38           H        TYR  38   0.983  -4.846  -3.202
  312    HA   TYR  38           HA       TYR  38   2.040  -3.472  -5.631
  313   1HB   TYR  38          2HB       TYR  38   3.390  -5.310  -4.705
  314   2HB   TYR  38          1HB       TYR  38   2.021  -6.408  -4.867
  315    HD1  TYR  38           1HD      TYR  38   3.952  -3.950  -6.948
  316    HD2  TYR  38           2HD      TYR  38   1.926  -7.735  -6.784
  317    HE1  TYR  38           1HE      TYR  38   4.595  -4.397  -9.302
  318    HE2  TYR  38           2HE      TYR  38   2.569  -8.180  -9.137
  319    HH   TYR  38           HH       TYR  38   4.755  -7.134 -10.673
  320    H    ALA  39           H        ALA  39   0.301  -2.844  -6.881
  321    HA   ALA  39           HA       ALA  39  -1.305  -4.966  -8.105
  322   1HB   ALA  39          1HB       ALA  39  -2.564  -4.463  -6.011
  323   2HB   ALA  39          2HB       ALA  39  -3.477  -4.044  -7.461
  324   3HB   ALA  39          3HB       ALA  39  -2.688  -2.779  -6.520
  325    H    LEU  40           H        LEU  40  -2.357  -4.206 -10.044
  326    HA   LEU  40           HA       LEU  40  -1.104  -1.777 -11.116
  327   1HB   LEU  40          2HB       LEU  40  -1.427  -2.704 -13.177
  328   2HB   LEU  40          1HB       LEU  40  -1.641  -4.178 -12.242
  329    HG   LEU  40           HG       LEU  40  -4.180  -3.337 -12.164
  330   1HD1  LEU  40          1HD1      LEU  40  -3.444  -1.240 -13.464
  331   2HD1  LEU  40          2HD1      LEU  40  -4.833  -2.113 -14.100
  332   3HD1  LEU  40          3HD1      LEU  40  -3.253  -2.308 -14.851
  333   1HD2  LEU  40          1HD2      LEU  40  -3.407  -5.476 -13.102
  334   2HD2  LEU  40          2HD2      LEU  40  -2.871  -4.650 -14.565
  335   3HD2  LEU  40          3HD2      LEU  40  -4.589  -4.725 -14.175
  336    HA   PRO  41           HA       PRO  41  -4.198   1.225 -10.236
  337   1HB   PRO  41          2HB       PRO  41  -4.330   1.701 -13.179
  338   2HB   PRO  41          1HB       PRO  41  -4.072   2.856 -11.859
  339   1HG   PRO  41          2HG       PRO  41  -2.096   1.885 -13.486
  340   2HG   PRO  41          1HG       PRO  41  -1.836   2.545 -11.866
  341   1HD   PRO  41          2HD       PRO  41  -1.525  -0.204 -12.762
  342   2HD   PRO  41          1HD       PRO  41  -1.118   0.499 -11.183
  343    H    GLY  42           H        GLY  42  -4.970  -0.375 -13.353
  344   1HA   GLY  42          2HA       GLY  42  -7.748  -0.079 -13.280
  345   2HA   GLY  42          1HA       GLY  42  -6.955  -1.460 -14.032
  346    H    ARG  43           H        ARG  43  -5.913  -2.843 -11.948
  347    HA   ARG  43           HA       ARG  43  -8.156  -4.185 -10.832
  348   1HB   ARG  43          2HB       ARG  43  -5.969  -5.269 -11.112
  349   2HB   ARG  43          1HB       ARG  43  -5.272  -4.190  -9.902
  350   1HG   ARG  43          2HG       ARG  43  -6.595  -5.127  -8.156
  351   2HG   ARG  43          1HG       ARG  43  -7.645  -5.962  -9.300
  352   1HD   ARG  43          2HD       ARG  43  -5.691  -7.335 -10.029
  353   2HD   ARG  43          1HD       ARG  43  -4.719  -6.559  -8.781
  354    HE   ARG  43           HE       ARG  43  -6.859  -7.537  -7.358
  355   1HH1  ARG  43          1HH2      ARG  43  -4.674  -8.833  -9.690
  356   2HH1  ARG  43          2HH2      ARG  43  -4.728 -10.439  -9.044
  357   1HH2  ARG  43          1HH1      ARG  43  -6.942  -9.627  -6.501
  358   2HH2  ARG  43          2HH1      ARG  43  -6.011 -10.888  -7.238
  359    H    VAL  44           H        VAL  44  -6.225  -1.490  -9.630
  360    HA   VAL  44           HA       VAL  44  -7.253  -1.686  -6.913
  361    HB   VAL  44           HB       VAL  44  -5.939   0.657  -8.321
  362   1HG1  VAL  44          1HG1      VAL  44  -6.710   0.066  -5.471
  363   2HG1  VAL  44          2HG1      VAL  44  -6.896   1.563  -6.386
  364   3HG1  VAL  44          3HG1      VAL  44  -5.304   1.075  -5.805
  365   1HG2  VAL  44          1HG2      VAL  44  -3.860  -0.158  -7.483
  366   2HG2  VAL  44          2HG2      VAL  44  -4.654  -1.566  -8.188
  367   3HG2  VAL  44          3HG2      VAL  44  -4.657  -1.336  -6.440
  368    H    LYS  45           H        LYS  45  -7.794   0.716  -9.518
  369    HA   LYS  45           HA       LYS  45 -10.023   1.961  -8.218
  370   1HB   LYS  45          2HB       LYS  45  -9.664   1.797 -11.217
  371   2HB   LYS  45          1HB       LYS  45 -10.391   3.099 -10.275
  372   1HG   LYS  45          2HG       LYS  45  -8.207   3.622  -9.277
  373   2HG   LYS  45          1HG       LYS  45  -7.467   2.298 -10.173
  374   1HD   LYS  45          2HD       LYS  45  -7.061   4.415 -11.337
  375   2HD   LYS  45          1HD       LYS  45  -8.119   3.387 -12.303
  376   1HE   LYS  45          2HE       LYS  45  -9.391   5.304 -10.386
  377   2HE   LYS  45          1HE       LYS  45  -8.715   5.946 -11.882
  378   1HZ   LYS  45          1HZ       LYS  45 -10.320   5.015 -13.094
  379   2HZ   LYS  45          2HZ       LYS  45 -11.170   4.861 -11.631
  380   3HZ   LYS  45          3HZ       LYS  45 -10.273   3.552 -12.238
  381    H    ALA  46           H        ALA  46  -9.658  -0.994  -9.925
  382    HA   ALA  46           HA       ALA  46 -12.527  -1.287 -10.532
  383   1HB   ALA  46          1HB       ALA  46 -10.853  -2.209 -12.092
  384   2HB   ALA  46          2HB       ALA  46 -11.832  -3.505 -11.407
  385   3HB   ALA  46          3HB       ALA  46 -10.202  -3.221 -10.802
  386    H    LEU  47           H        LEU  47 -10.312  -2.037  -7.980
  387    HA   LEU  47           HA       LEU  47 -11.834  -4.252  -6.876
  388   1HB   LEU  47          2HB       LEU  47  -9.471  -2.631  -6.077
  389   2HB   LEU  47          1HB       LEU  47 -10.380  -3.363  -4.758
  390    HG   LEU  47           HG       LEU  47  -9.617  -5.019  -7.159
  391   1HD1  LEU  47          1HD1      LEU  47  -7.880  -4.498  -4.727
  392   2HD1  LEU  47          2HD1      LEU  47  -7.538  -3.938  -6.363
  393   3HD1  LEU  47          3HD1      LEU  47  -7.541  -5.664  -6.005
  394   1HD2  LEU  47          1HD2      LEU  47 -11.190  -5.978  -5.539
  395   2HD2  LEU  47          2HD2      LEU  47 -10.087  -5.606  -4.216
  396   3HD2  LEU  47          3HD2      LEU  47  -9.642  -6.812  -5.422
  397    H    CYS  48           H        CYS  48 -12.604  -1.038  -7.138
  398    HA   CYS  48           HA       CYS  48 -14.291  -1.173  -4.666
  399   1HB   CYS  48          2HB       CYS  48 -12.368   0.545  -4.629
  400   2HB   CYS  48          1HB       CYS  48 -13.293   1.421  -5.849
  401    H    LYS  49           H        LYS  49 -14.354  -1.282  -7.942
  402    HA   LYS  49           HA       LYS  49 -16.409   0.569  -8.651
  403   1HB   LYS  49          2HB       LYS  49 -16.682  -0.757 -10.650
  404   2HB   LYS  49          1HB       LYS  49 -14.964  -0.743 -10.252
  405   1HG   LYS  49          2HG       LYS  49 -15.393  -2.927  -8.982
  406   2HG   LYS  49          1HG       LYS  49 -16.958  -2.968  -9.795
  407   1HD   LYS  49          2HD       LYS  49 -15.666  -2.688 -11.986
  408   2HD   LYS  49          1HD       LYS  49 -14.211  -3.042 -11.055
  409   1HE   LYS  49          2HE       LYS  49 -15.239  -5.178 -10.306
  410   2HE   LYS  49          1HE       LYS  49 -16.645  -4.833 -11.312
  411   1HZ   LYS  49          1HZ       LYS  49 -15.500  -5.943 -12.862
  412   2HZ   LYS  49          2HZ       LYS  49 -14.011  -5.745 -12.069
  413   3HZ   LYS  49          3HZ       LYS  49 -14.629  -4.500 -13.046
  414    H    ASN  50           H        ASN  50 -18.655   0.350  -8.702
  415    HA   ASN  50           HA       ASN  50 -20.769  -0.516  -8.199
  416   1HB   ASN  50          2HB       ASN  50 -21.027  -2.725  -8.600
  417   2HB   ASN  50          1HB       ASN  50 -19.283  -2.794  -8.827
  418   1HD2  ASN  50          1HD2      ASN  50 -21.574  -4.503  -7.327
  419   2HD2  ASN  50          2HD2      ASN  50 -20.768  -4.964  -5.907
  420    H    ILE  51           H        ILE  51 -18.243  -0.147  -6.042
  421    HA   ILE  51           HA       ILE  51 -19.648  -1.083  -3.650
  422    HB   ILE  51           HB       ILE  51 -17.211   0.691  -3.971
  423   1HG1  ILE  51          2HG1      ILE  51 -16.819  -1.578  -4.787
  424   2HG1  ILE  51          1HG1      ILE  51 -15.994  -1.363  -3.246
  425   1HG2  ILE  51          1HG2      ILE  51 -18.613  -0.426  -1.556
  426   2HG2  ILE  51          2HG2      ILE  51 -17.990   1.204  -1.823
  427   3HG2  ILE  51          3HG2      ILE  51 -16.877  -0.127  -1.520
  428   1HD1  ILE  51          1HD1      ILE  51 -18.267  -2.313  -2.260
  429   2HD1  ILE  51          2HD1      ILE  51 -17.030  -3.404  -2.879
  430   3HD1  ILE  51          3HD1      ILE  51 -18.423  -2.997  -3.878
  431    H    ARG  52           H        ARG  52 -19.873   0.665  -1.819
  432    HA   ARG  52           HA       ARG  52 -21.614   2.781  -2.943
  433   1HB   ARG  52          2HB       ARG  52 -21.190   2.204  -0.011
  434   2HB   ARG  52          1HB       ARG  52 -22.596   2.924  -0.796
  435   1HG   ARG  52          2HG       ARG  52 -22.945   0.731  -1.997
  436   2HG   ARG  52          1HG       ARG  52 -21.675   0.044  -0.984
  437   1HD   ARG  52          2HD       ARG  52 -23.050   0.931   1.016
  438   2HD   ARG  52          1HD       ARG  52 -24.369   1.113  -0.141
  439    HE   ARG  52           HE       ARG  52 -24.572  -1.247  -0.214
  440   1HH1  ARG  52          1HH2      ARG  52 -21.662  -0.204   1.311
  441   2HH1  ARG  52          2HH2      ARG  52 -21.238  -1.784   1.883
  442   1HH2  ARG  52          1HH1      ARG  52 -24.036  -3.316   0.523
  443   2HH2  ARG  52          2HH1      ARG  52 -22.582  -3.545   1.437
  444    H    ASP  53           H        ASP  53 -21.442   4.656  -0.881
  445    HA   ASP  53           HA       ASP  53 -19.181   6.225  -1.689
  446   1HB   ASP  53          2HB       ASP  53 -20.841   6.577   0.811
  447   2HB   ASP  53          1HB       ASP  53 -19.920   7.816  -0.042
  448    H    ASN  54           H        ASN  54 -18.652   7.166   1.052
  449    HA   ASN  54           HA       ASN  54 -16.221   5.740   1.508
  450   1HB   ASN  54          2HB       ASN  54 -16.191   7.006   3.691
  451   2HB   ASN  54          1HB       ASN  54 -16.415   8.021   2.266
  452   1HD2  ASN  54          1HD2      ASN  54 -17.734   7.274   5.322
  453   2HD2  ASN  54          2HD2      ASN  54 -19.253   8.001   5.111
  454    H    THR  55           H        THR  55 -16.087   3.706   2.244
  455    HA   THR  55           HA       THR  55 -17.548   2.929   4.677
  456    HB   THR  55           HB       THR  55 -17.752   1.039   2.347
  457    HG1  THR  55           1HG      THR  55 -19.493   2.052   1.586
  458   1HG2  THR  55          1HG2      THR  55 -18.334   0.271   4.610
  459   2HG2  THR  55          2HG2      THR  55 -19.768   0.327   3.584
  460   3HG2  THR  55          3HG2      THR  55 -19.482   1.600   4.771
  461    H    ASP  56           H        ASP  56 -16.746   0.705   5.396
  462    HA   ASP  56           HA       ASP  56 -13.837   0.548   4.825
  463   1HB   ASP  56          2HB       ASP  56 -15.473  -0.873   6.946
  464   2HB   ASP  56          1HB       ASP  56 -13.712  -0.809   6.849
  465    H    VAL  57           H        VAL  57 -13.202  -0.878   3.303
  466    HA   VAL  57           HA       VAL  57 -14.824  -3.364   2.908
  467    HB   VAL  57           HB       VAL  57 -13.660  -3.413   0.643
  468   1HG1  VAL  57          1HG1      VAL  57 -15.475  -1.098   1.377
  469   2HG1  VAL  57          2HG1      VAL  57 -15.969  -2.696   0.815
  470   3HG1  VAL  57          3HG1      VAL  57 -15.134  -1.594  -0.281
  471   1HG2  VAL  57          1HG2      VAL  57 -11.839  -1.823   1.360
  472   2HG2  VAL  57          2HG2      VAL  57 -13.039  -0.531   1.350
  473   3HG2  VAL  57          3HG2      VAL  57 -12.631  -1.368  -0.147
  474    H    LEU  58           H        LEU  58 -13.224  -5.132   1.864
  475    HA   LEU  58           HA       LEU  58 -10.530  -5.099   3.025
  476   1HB   LEU  58          2HB       LEU  58 -11.725  -5.688   5.019
  477   2HB   LEU  58          1HB       LEU  58 -12.766  -6.805   4.145
  478    HG   LEU  58           HG       LEU  58 -10.884  -8.319   3.763
  479   1HD1  LEU  58          1HD1      LEU  58  -8.706  -7.789   4.942
  480   2HD1  LEU  58          2HD1      LEU  58  -9.308  -6.153   5.162
  481   3HD1  LEU  58          3HD1      LEU  58  -9.045  -6.784   3.542
  482   1HD2  LEU  58          1HD2      LEU  58 -11.160  -7.330   6.611
  483   2HD2  LEU  58          2HD2      LEU  58 -10.355  -8.836   6.171
  484   3HD2  LEU  58          3HD2      LEU  58 -12.075  -8.628   5.845
  485    H    SER  59           H        SER  59  -9.190  -6.603   1.939
  486    HA   SER  59           HA       SER  59 -10.051  -7.615  -0.551
  487   1HB   SER  59          2HB       SER  59  -7.746  -7.607  -0.424
  488   2HB   SER  59          1HB       SER  59  -7.733  -8.173   1.241
  489    HG   SER  59           HG       SER  59  -8.825  -9.933  -0.572
  490    H    ARG  60           H        ARG  60 -10.629  -9.753  -1.237
  491    HA   ARG  60           HA       ARG  60 -12.165 -11.215   0.824
  492   1HB   ARG  60          2HB       ARG  60 -12.001 -11.925  -2.106
  493   2HB   ARG  60          1HB       ARG  60 -13.309 -12.250  -0.970
  494   1HG   ARG  60          2HG       ARG  60 -12.477  -9.539  -2.040
  495   2HG   ARG  60          1HG       ARG  60 -13.972 -10.402  -2.404
  496   1HD   ARG  60          2HD       ARG  60 -14.422 -10.359   0.125
  497   2HD   ARG  60          1HD       ARG  60 -13.124  -9.169   0.222
  498    HE   ARG  60           HE       ARG  60 -15.795  -8.667  -0.760
  499   1HH1  ARG  60          1HH2      ARG  60 -12.449  -7.942  -1.165
  500   2HH1  ARG  60          2HH2      ARG  60 -12.733  -6.368  -1.827
  501   1HH2  ARG  60          1HH1      ARG  60 -16.186  -6.614  -1.624
  502   2HH2  ARG  60          2HH1      ARG  60 -14.849  -5.616  -2.088
  503    H    ASP  61           H        ASP  61  -9.036 -11.307   0.048
  504    HA   ASP  61           HA       ASP  61  -8.756 -14.080   0.906
  505   1HB   ASP  61          2HB       ASP  61  -8.154 -13.268  -1.939
  506   2HB   ASP  61          1HB       ASP  61  -7.302 -14.611  -1.175
  507    H    ALA  62           H        ALA  62  -6.383 -12.552  -1.177
  508    HA   ALA  62           HA       ALA  62  -4.943 -11.409   1.113
  509   1HB   ALA  62          1HB       ALA  62  -3.545 -13.537  -0.503
  510   2HB   ALA  62          2HB       ALA  62  -4.434 -13.934   0.968
  511   3HB   ALA  62          3HB       ALA  62  -3.058 -12.835   1.039
  512    H    PHE  63           H        PHE  63  -2.787 -10.471   0.334
  513    HA   PHE  63           HA       PHE  63  -2.643  -9.902  -2.554
  514   1HB   PHE  63          2HB       PHE  63  -3.490  -7.892  -0.488
  515   2HB   PHE  63          1HB       PHE  63  -2.482  -7.351  -1.831
  516    HD1  PHE  63           1HD      PHE  63  -3.334  -7.238  -4.079
  517    HD2  PHE  63           2HD      PHE  63  -5.723  -8.905  -0.922
  518    HE1  PHE  63           1HE      PHE  63  -5.322  -7.192  -5.560
  519    HE2  PHE  63           2HE      PHE  63  -7.711  -8.860  -2.404
  520    HZ   PHE  63           HZ       PHE  63  -7.511  -8.004  -4.722
  521    H    LEU  64           H        LEU  64  -0.522  -9.573  -3.138
  522    HA   LEU  64           HA       LEU  64   1.522  -9.879  -1.074
  523   1HB   LEU  64          2HB       LEU  64   1.534 -10.815  -3.496
  524   2HB   LEU  64          1HB       LEU  64   2.042  -9.197  -3.970
  525    HG   LEU  64           HG       LEU  64   3.511 -10.568  -1.729
  526   1HD1  LEU  64          1HD1      LEU  64   3.707 -11.223  -4.668
  527   2HD1  LEU  64          2HD1      LEU  64   3.594 -12.331  -3.301
  528   3HD1  LEU  64          3HD1      LEU  64   5.084 -11.430  -3.585
  529   1HD2  LEU  64          1HD2      LEU  64   4.134  -8.281  -2.205
  530   2HD2  LEU  64          2HD2      LEU  64   4.227  -8.609  -3.935
  531   3HD2  LEU  64          3HD2      LEU  64   5.414  -9.313  -2.838
  532    H    LEU  65           H        LEU  65   2.109  -8.117   0.124
  533    HA   LEU  65           HA       LEU  65   2.328  -5.505  -1.312
  534   1HB   LEU  65          2HB       LEU  65   2.168  -5.012   1.477
  535   2HB   LEU  65          1HB       LEU  65   0.992  -4.597   0.247
  536    HG   LEU  65           HG       LEU  65   1.044  -7.373   1.386
  537   1HD1  LEU  65          1HD1      LEU  65   0.967  -5.897   3.320
  538   2HD1  LEU  65          2HD1      LEU  65  -0.653  -6.536   3.038
  539   3HD1  LEU  65          3HD1      LEU  65  -0.255  -4.889   2.546
  540   1HD2  LEU  65          1HD2      LEU  65  -1.090  -5.553   0.207
  541   2HD2  LEU  65          2HD2      LEU  65  -1.378  -7.189   0.794
  542   3HD2  LEU  65          3HD2      LEU  65  -0.341  -6.925  -0.605
  543    HA   PRO  66           HA       PRO  66   6.600  -5.925   0.044
  544   1HB   PRO  66          2HB       PRO  66   7.499  -3.562  -1.020
  545   2HB   PRO  66          1HB       PRO  66   7.265  -5.035  -1.978
  546   1HG   PRO  66          2HG       PRO  66   5.586  -2.609  -1.811
  547   2HG   PRO  66          1HG       PRO  66   5.848  -3.708  -3.167
  548   1HD   PRO  66          2HD       PRO  66   3.586  -3.683  -1.548
  549   2HD   PRO  66          1HD       PRO  66   4.098  -5.043  -2.571
  550    H    GLN  67           H        GLN  67   7.773  -5.001   1.847
  551    HA   GLN  67           HA       GLN  67   6.682  -2.481   2.973
  552   1HB   GLN  67          2HB       GLN  67   7.025  -4.844   4.808
  553   2HB   GLN  67          1HB       GLN  67   6.065  -3.384   5.046
  554   1HG   GLN  67          2HG       GLN  67   4.538  -4.126   3.225
  555   2HG   GLN  67          1HG       GLN  67   5.469  -5.616   3.081
  556   1HE2  GLN  67          1HE2      GLN  67   2.895  -6.104   3.716
  557   2HE2  GLN  67          2HE2      GLN  67   2.695  -6.451   5.365
  558    H    CYS  68           H        CYS  68   8.098  -1.432   4.417
  559    HA   CYS  68           HA       CYS  68  10.922  -2.428   4.307
  560   1HB   CYS  68          2HB       CYS  68   9.970   0.384   4.890
  561   2HB   CYS  68          1HB       CYS  68  11.608  -0.132   4.485
  562    H    ASP  69           H        ASP  69  12.076  -2.641   6.239
  563    HA   ASP  69           HA       ASP  69  10.690  -1.830   8.763
  564   1HB   ASP  69          2HB       ASP  69  10.194  -4.201   8.446
  565   2HB   ASP  69          1HB       ASP  69  11.903  -4.551   8.187
  566    H    ARG  70           H        ARG  70  12.087  -0.472   9.769
  567    HA   ARG  70           HA       ARG  70  14.892  -0.324   9.179
  568   1HB   ARG  70          2HB       ARG  70  13.380   1.483  10.221
  569   2HB   ARG  70          1HB       ARG  70  13.629   0.638  11.749
  570   1HG   ARG  70          2HG       ARG  70  16.148   0.800  11.222
  571   2HG   ARG  70          1HG       ARG  70  15.690   1.986  10.000
  572   1HD   ARG  70          2HD       ARG  70  16.178   3.240  11.976
  573   2HD   ARG  70          1HD       ARG  70  14.419   3.205  11.849
  574    HE   ARG  70           HE       ARG  70  15.394   1.001  13.448
  575   1HH1  ARG  70          1HH2      ARG  70  14.741   4.386  13.387
  576   2HH1  ARG  70          2HH2      ARG  70  14.452   4.495  15.091
  577   1HH2  ARG  70          1HH1      ARG  70  15.020   1.125  15.672
  578   2HH2  ARG  70          2HH1      ARG  70  14.609   2.648  16.385
  579    H    ILE  71           H        ILE  71  16.682  -0.982  10.513
  580    HA   ILE  71           HA       ILE  71  16.260  -2.593  12.894
  581    HB   ILE  71           HB       ILE  71  15.609  -4.218  11.135
  582   1HG1  ILE  71          2HG1      ILE  71  18.330  -4.900  12.284
  583   2HG1  ILE  71          1HG1      ILE  71  16.851  -4.888  13.247
  584   1HG2  ILE  71          1HG2      ILE  71  18.467  -4.013  10.167
  585   2HG2  ILE  71          2HG2      ILE  71  17.146  -3.129   9.404
  586   3HG2  ILE  71          3HG2      ILE  71  17.133  -4.893   9.424
  587   1HD1  ILE  71          1HD1      ILE  71  15.859  -6.605  11.866
  588   2HD1  ILE  71          2HD1      ILE  71  17.465  -7.159  12.337
  589   3HD1  ILE  71          3HD1      ILE  71  17.194  -6.518  10.716
  590    H    LYS  72           H        LYS  72  18.436  -1.662  10.246
  591    HA   LYS  72           HA       LYS  72  20.627  -1.424  12.272
  592   1HB   LYS  72          2HB       LYS  72  21.033  -3.426  10.905
  593   2HB   LYS  72          1HB       LYS  72  20.870  -2.467   9.434
  594   1HG   LYS  72          2HG       LYS  72  22.869  -1.282   9.835
  595   2HG   LYS  72          1HG       LYS  72  22.890  -1.719  11.545
  596   1HD   LYS  72          2HD       LYS  72  23.517  -3.965  11.070
  597   2HD   LYS  72          1HD       LYS  72  23.127  -3.793   9.359
  598   1HE   LYS  72          2HE       LYS  72  25.555  -3.699   9.669
  599   2HE   LYS  72          1HE       LYS  72  24.959  -2.130   9.131
  600   1HZ   LYS  72          1HZ       LYS  72  26.341  -2.767  11.498
  601   2HZ   LYS  72          2HZ       LYS  72  24.805  -2.164  11.906
  602   3HZ   LYS  72          3HZ       LYS  72  25.851  -1.244  10.934
  603    H    LEU  73           H        LEU  73  22.400   0.062  11.435
  604    HA   LEU  73           HA       LEU  73  22.983   2.227  10.774
  605   1HB   LEU  73          2HB       LEU  73  21.830   0.804   8.511
  606   2HB   LEU  73          1HB       LEU  73  21.535   2.530   8.360
  607    HG   LEU  73           HG       LEU  73  24.045   2.810   8.936
  608   1HD1  LEU  73          1HD1      LEU  73  23.980  -0.112   8.124
  609   2HD1  LEU  73          2HD1      LEU  73  24.398   0.503   9.724
  610   3HD1  LEU  73          3HD1      LEU  73  25.438   0.856   8.344
  611   1HD2  LEU  73          1HD2      LEU  73  23.146   3.228   6.696
  612   2HD2  LEU  73          2HD2      LEU  73  23.168   1.501   6.343
  613   3HD2  LEU  73          3HD2      LEU  73  24.684   2.374   6.565
  614    HA   PRO  74           HA       PRO  74  19.619   4.970  11.716
  615   1HB   PRO  74          2HB       PRO  74  20.324   7.305  10.573
  616   2HB   PRO  74          1HB       PRO  74  21.305   6.567  11.856
  617   1HG   PRO  74          2HG       PRO  74  21.771   6.634   8.920
  618   2HG   PRO  74          1HG       PRO  74  22.935   6.724  10.252
  619   1HD   PRO  74          2HD       PRO  74  22.346   4.418   8.762
  620   2HD   PRO  74          1HD       PRO  74  23.177   4.447  10.330
  621    H    CYS  75           H        CYS  75  20.296   4.793   8.243
  622    HA   CYS  75           HA       CYS  75  17.389   5.302   7.740
  623   1HB   CYS  75          2HB       CYS  75  19.017   7.215   7.123
  624   2HB   CYS  75          1HB       CYS  75  19.551   6.155   5.818
  625    H    HIS  76           H        HIS  76  18.567   2.736   8.045
  626    HA   HIS  76           HA       HIS  76  18.510   1.713   5.225
  627   1HB   HIS  76          2HB       HIS  76  20.658   1.366   6.559
  628   2HB   HIS  76          1HB       HIS  76  19.726   0.303   7.613
  629    HD1  HIS  76           1HD      HIS  76  20.279   0.689   3.845
  630    HD2  HIS  76           2HD      HIS  76  19.785  -2.302   6.711
  631    HE1  HIS  76           1HE      HIS  76  20.485  -1.521   2.620
  632    HE2  HIS  76           2HE      HIS  76  20.187  -3.347   4.355
  633    H    TYR  77           H        TYR  77  17.155  -0.106   4.829
  634    HA   TYR  77           HA       TYR  77  15.453  -0.998   7.115
  635   1HB   TYR  77          2HB       TYR  77  14.190  -0.566   4.436
  636   2HB   TYR  77          1HB       TYR  77  13.451  -0.535   6.035
  637    HD1  TYR  77           1HD      TYR  77  13.468   1.464   7.393
  638    HD2  TYR  77           2HD      TYR  77  15.507   1.360   3.613
  639    HE1  TYR  77           1HE      TYR  77  13.707   3.930   7.454
  640    HE2  TYR  77           2HE      TYR  77  15.748   3.828   3.674
  641    HH   TYR  77           HH       TYR  77  14.227   5.755   6.220
  642    H    LYS  78           H        LYS  78  14.226  -2.999   6.569
  643    HA   LYS  78           HA       LYS  78  15.857  -4.758   4.786
  644   1HB   LYS  78          2HB       LYS  78  15.578  -5.284   7.297
  645   2HB   LYS  78          1HB       LYS  78  13.903  -5.671   6.907
  646   1HG   LYS  78          2HG       LYS  78  14.883  -7.763   6.648
  647   2HG   LYS  78          1HG       LYS  78  15.021  -7.143   5.003
  648   1HD   LYS  78          2HD       LYS  78  17.322  -6.412   5.447
  649   2HD   LYS  78          1HD       LYS  78  17.189  -6.960   7.118
  650   1HE   LYS  78          2HE       LYS  78  16.767  -8.809   4.762
  651   2HE   LYS  78          1HE       LYS  78  18.344  -8.573   5.513
  652   1HZ   LYS  78          1HZ       LYS  78  17.570 -10.320   6.725
  653   2HZ   LYS  78          2HZ       LYS  78  15.941  -9.856   6.588
  654   3HZ   LYS  78          3HZ       LYS  78  16.968  -9.049   7.673
  655    H    LEU  79           H        LEU  79  14.777  -5.995   3.210
  656    HA   LEU  79           HA       LEU  79  12.134  -4.960   2.431
  657   1HB   LEU  79          2HB       LEU  79  14.269  -5.667   0.946
  658   2HB   LEU  79          1HB       LEU  79  13.412  -7.207   0.935
  659    HG   LEU  79           HG       LEU  79  12.212  -4.533   0.147
  660   1HD1  LEU  79          1HD1      LEU  79  12.407  -5.232  -2.112
  661   2HD1  LEU  79          2HD1      LEU  79  12.791  -6.891  -1.652
  662   3HD1  LEU  79          3HD1      LEU  79  13.974  -5.608  -1.395
  663   1HD2  LEU  79          1HD2      LEU  79  10.419  -6.154  -0.777
  664   2HD2  LEU  79          2HD2      LEU  79  10.445  -5.886   0.966
  665   3HD2  LEU  79          3HD2      LEU  79  11.145  -7.357   0.290
  666    H    SER  80           H        SER  80  10.264  -5.958   2.971
  667    HA   SER  80           HA       SER  80  10.235  -8.899   3.370
  668   1HB   SER  80          2HB       SER  80  10.493  -8.335   5.628
  669   2HB   SER  80          1HB       SER  80   9.608  -6.823   5.453
  670    HG   SER  80           HG       SER  80   8.070  -8.035   6.281
  671    H    SER  81           H        SER  81   8.449  -9.725   2.382
  672    HA   SER  81           HA       SER  81   6.017  -8.022   2.141
  673   1HB   SER  81          2HB       SER  81   7.624  -8.006   0.051
  674   2HB   SER  81          1HB       SER  81   6.941  -9.603  -0.244
  675    HG   SER  81           HG       SER  81   5.006  -7.851   0.419
  676    H    SER  82           H        SER  82   4.081  -9.308   1.646
  677    HA   SER  82           HA       SER  82   4.240 -12.212   1.608
  678   1HB   SER  82          2HB       SER  82   3.285 -10.829   4.134
  679   2HB   SER  82          1HB       SER  82   3.069 -12.542   3.787
  680    HG   SER  82           HG       SER  82   4.933 -12.406   4.934
  681    H    THR  83           H        THR  83   1.998 -13.163   1.675
  682    HA   THR  83           HA       THR  83   0.122 -11.272   0.377
  683    HB   THR  83           HB       THR  83  -0.893 -13.779  -0.001
  684    HG1  THR  83           1HG      THR  83   1.826 -14.196  -0.362
  685   1HG2  THR  83          1HG2      THR  83   1.193 -12.256  -1.564
  686   2HG2  THR  83          2HG2      THR  83  -0.553 -12.239  -1.807
  687   3HG2  THR  83          3HG2      THR  83   0.378 -13.686  -2.199
  688    H    ASN  84           H        ASN  84  -1.518 -10.545   1.624
  689    HA   ASN  84           HA       ASN  84  -3.011 -12.388   3.340
  690   1HB   ASN  84          2HB       ASN  84  -2.697 -10.894   5.377
  691   2HB   ASN  84          1HB       ASN  84  -1.295 -11.868   4.936
  692   1HD2  ASN  84          1HD2      ASN  84  -0.500  -9.778   6.373
  693   2HD2  ASN  84          2HD2      ASN  84   0.093  -8.501   5.423
  694    H    THR  85           H        THR  85  -5.035 -11.403   4.074
  695    HA   THR  85           HA       THR  85  -6.142  -9.550   2.211
  696    HB   THR  85           HB       THR  85  -7.480  -9.728   4.839
  697    HG1  THR  85           1HG      THR  85  -7.512 -12.131   3.504
  698   1HG2  THR  85          1HG2      THR  85  -8.165 -10.371   1.969
  699   2HG2  THR  85          2HG2      THR  85  -8.786  -9.062   2.975
  700   3HG2  THR  85          3HG2      THR  85  -9.263 -10.726   3.301
  701    H    ILE  86           H        ILE  86  -7.015  -7.354   2.804
  702    HA   ILE  86           HA       ILE  86  -5.646  -6.051   5.077
  703    HB   ILE  86           HB       ILE  86  -4.211  -4.740   3.877
  704   1HG1  ILE  86          2HG1      ILE  86  -6.085  -3.516   2.739
  705   2HG1  ILE  86          1HG1      ILE  86  -4.674  -3.731   1.717
  706   1HG2  ILE  86          1HG2      ILE  86  -3.415  -5.844   1.787
  707   2HG2  ILE  86          2HG2      ILE  86  -4.823  -6.901   1.838
  708   3HG2  ILE  86          3HG2      ILE  86  -3.618  -6.971   3.124
  709   1HD1  ILE  86          1HD1      ILE  86  -7.226  -4.379   0.961
  710   2HD1  ILE  86          2HD1      ILE  86  -6.629  -5.937   1.533
  711   3HD1  ILE  86          3HD1      ILE  86  -5.770  -5.078   0.256
  712    H    CYS  87           H        CYS  87  -7.003  -4.614   6.024
  713    HA   CYS  87           HA       CYS  87  -9.589  -4.059   4.774
  714   1HB   CYS  87          2HB       CYS  87  -8.345  -3.672   7.451
  715   2HB   CYS  87          1HB       CYS  87  -9.633  -2.549   7.010
  716    H    ILE  88           H        ILE  88 -10.176  -2.179   3.802
  717    HA   ILE  88           HA       ILE  88  -8.488   0.228   4.105
  718    HB   ILE  88           HB       ILE  88  -7.290  -0.342   2.245
  719   1HG1  ILE  88          2HG1      ILE  88  -9.860   0.116   0.712
  720   2HG1  ILE  88          1HG1      ILE  88  -8.947   1.431   1.450
  721   1HG2  ILE  88          1HG2      ILE  88  -9.577  -2.170   1.462
  722   2HG2  ILE  88          2HG2      ILE  88  -8.092  -2.653   2.274
  723   3HG2  ILE  88          3HG2      ILE  88  -8.035  -2.061   0.616
  724   1HD1  ILE  88          1HD1      ILE  88  -7.186  -0.310  -0.071
  725   2HD1  ILE  88          2HD1      ILE  88  -7.443   1.427  -0.227
  726   3HD1  ILE  88          3HD1      ILE  88  -8.498   0.299  -1.077
  727    H    THR  89           H        THR  89  -9.614   2.162   3.384
  728    HA   THR  89           HA       THR  89 -12.562   1.713   3.144
  729    HB   THR  89           HB       THR  89 -10.877   3.782   4.452
  730    HG1  THR  89           1HG      THR  89 -12.775   2.059   5.050
  731   1HG2  THR  89          1HG2      THR  89 -12.882   5.372   4.360
  732   2HG2  THR  89          2HG2      THR  89 -13.450   4.412   2.995
  733   3HG2  THR  89          3HG2      THR  89 -11.910   5.265   2.893
  734    H    CYS  90           H        CYS  90 -13.680   2.565   1.421
  735    HA   CYS  90           HA       CYS  90 -12.184   4.197  -0.577
  736   1HB   CYS  90          2HB       CYS  90 -11.976   1.942  -1.409
  737   2HB   CYS  90          1HB       CYS  90 -13.678   1.613  -1.091
  738    H    VAL  91           H        VAL  91 -13.708   5.216  -2.170
  739    HA   VAL  91           HA       VAL  91 -16.250   5.922  -0.814
  740    HB   VAL  91           HB       VAL  91 -14.502   7.643  -1.626
  741   1HG1  VAL  91          1HG1      VAL  91 -14.645   6.347  -3.998
  742   2HG1  VAL  91          2HG1      VAL  91 -14.203   8.047  -3.857
  743   3HG1  VAL  91          3HG1      VAL  91 -15.853   7.602  -4.277
  744   1HG2  VAL  91          1HG2      VAL  91 -17.468   7.710  -2.085
  745   2HG2  VAL  91          2HG2      VAL  91 -16.496   9.081  -2.612
  746   3HG2  VAL  91          3HG2      VAL  91 -16.496   8.599  -0.917
  747    H    ASN  92           H        ASN  92 -17.227   6.886  -3.546
  748    HA   ASN  92           HA       ASN  92 -18.976   4.812  -4.166
  749   1HB   ASN  92          2HB       ASN  92 -18.948   7.239  -5.029
  750   2HB   ASN  92          1HB       ASN  92 -17.885   6.632  -6.298
  751   1HD2  ASN  92          1HD2      ASN  92 -20.960   5.534  -4.732
  752   2HD2  ASN  92          2HD2      ASN  92 -21.725   5.132  -6.193
  753    H    GLN  93           H        GLN  93 -15.726   5.287  -5.290
  754    HA   GLN  93           HA       GLN  93 -15.310   2.542  -5.923
  755   1HB   GLN  93          2HB       GLN  93 -15.125   2.879  -8.468
  756   2HB   GLN  93          1HB       GLN  93 -16.750   2.738  -7.802
  757   1HG   GLN  93          2HG       GLN  93 -17.093   5.106  -7.893
  758   2HG   GLN  93          1HG       GLN  93 -15.387   5.405  -8.226
  759   1HE2  GLN  93          1HE2      GLN  93 -14.633   4.041 -10.328
  760   2HE2  GLN  93          2HE2      GLN  93 -15.683   4.172 -11.655
  761    H    LEU  94           H        LEU  94 -13.871   4.560  -4.599
  762    HA   LEU  94           HA       LEU  94 -11.355   4.520  -6.163
  763   1HB   LEU  94          2HB       LEU  94 -12.873   6.966  -5.357
  764   2HB   LEU  94          1HB       LEU  94 -11.118   7.022  -5.218
  765    HG   LEU  94           HG       LEU  94 -12.346   5.991  -7.761
  766   1HD1  LEU  94          1HD1      LEU  94 -13.533   8.086  -7.376
  767   2HD1  LEU  94          2HD1      LEU  94 -12.327   8.324  -8.641
  768   3HD1  LEU  94          3HD1      LEU  94 -12.018   8.909  -7.005
  769   1HD2  LEU  94          1HD2      LEU  94  -9.924   7.747  -7.370
  770   2HD2  LEU  94          2HD2      LEU  94 -10.282   6.660  -8.710
  771   3HD2  LEU  94          3HD2      LEU  94  -9.834   6.002  -7.136
  772    HA   PRO  95           HA       PRO  95 -10.403   3.509  -1.837
  773   1HB   PRO  95          2HB       PRO  95  -8.000   2.336  -2.271
  774   2HB   PRO  95          1HB       PRO  95  -9.531   1.526  -2.660
  775   1HG   PRO  95          2HG       PRO  95  -7.614   2.912  -4.468
  776   2HG   PRO  95          1HG       PRO  95  -8.532   1.417  -4.725
  777   1HD   PRO  95          2HD       PRO  95  -9.268   3.884  -5.745
  778   2HD   PRO  95          1HD       PRO  95 -10.402   2.544  -5.460
  779    H    ILE  96           H        ILE  96  -9.458   4.874  -0.325
  780    HA   ILE  96           HA       ILE  96  -7.016   6.364  -1.131
  781    HB   ILE  96           HB       ILE  96  -7.955   8.496  -0.426
  782   1HG1  ILE  96          2HG1      ILE  96 -10.536   8.473  -0.035
  783   2HG1  ILE  96          1HG1      ILE  96 -10.315   6.762   0.319
  784   1HG2  ILE  96          1HG2      ILE  96  -9.354   8.868  -2.290
  785   2HG2  ILE  96          2HG2      ILE  96 -10.031   7.241  -2.220
  786   3HG2  ILE  96          3HG2      ILE  96  -8.377   7.483  -2.772
  787   1HD1  ILE  96          1HD1      ILE  96  -9.381   7.191   2.332
  788   2HD1  ILE  96          2HD1      ILE  96 -10.051   8.807   2.149
  789   3HD1  ILE  96          3HD1      ILE  96  -8.377   8.492   1.702
  790    H    HIS  97           H        HIS  97  -8.605   4.538   1.267
  791    HA   HIS  97           HA       HIS  97  -6.687   5.654   3.294
  792   1HB   HIS  97          2HB       HIS  97  -9.597   5.297   3.468
  793   2HB   HIS  97          1HB       HIS  97  -8.732   4.533   4.800
  794    HD1  HIS  97           1HD      HIS  97  -6.425   6.499   5.204
  795    HD2  HIS  97           2HD      HIS  97 -10.368   7.718   4.601
  796    HE1  HIS  97           1HE      HIS  97  -6.610   8.835   6.170
  797    HE2  HIS  97           2HE      HIS  97  -9.006   9.585   5.809
  798    H    PHE  98           H        PHE  98  -5.370   4.174   4.205
  799    HA   PHE  98           HA       PHE  98  -5.846   1.296   3.568
  800   1HB   PHE  98          2HB       PHE  98  -3.664   2.166   2.874
  801   2HB   PHE  98          1HB       PHE  98  -3.357   2.764   4.502
  802    HD1  PHE  98           1HD      PHE  98  -4.255  -0.401   2.700
  803    HD2  PHE  98           2HD      PHE  98  -2.191   1.403   6.007
  804    HE1  PHE  98           1HE      PHE  98  -3.337  -2.615   3.336
  805    HE2  PHE  98           2HE      PHE  98  -1.273  -0.811   6.643
  806    HZ   PHE  98           HZ       PHE  98  -1.846  -2.820   5.307
  807    H    ALA  99           H        ALA  99  -7.079   0.441   5.209
  808    HA   ALA  99           HA       ALA  99  -7.157   1.351   7.893
  809   1HB   ALA  99          1HB       ALA  99  -8.651  -0.387   6.557
  810   2HB   ALA  99          2HB       ALA  99  -8.513  -0.490   8.312
  811   3HB   ALA  99          3HB       ALA  99  -7.555  -1.558   7.290
  812    H    GLY 100           H        GLY 100  -5.664  -1.742   6.863
  813   1HA   GLY 100          2HA       GLY 100  -3.119  -1.235   8.047
  814   2HA   GLY 100          1HA       GLY 100  -4.127  -2.078   9.225
  815    H    VAL 101           H        VAL 101  -2.481  -3.828   8.947
  816    HA   VAL 101           HA       VAL 101  -2.673  -5.313   6.383
  817    HB   VAL 101           HB       VAL 101  -0.439  -4.978   7.414
  818   1HG1  VAL 101          1HG1      VAL 101  -1.408  -6.813   9.617
  819   2HG1  VAL 101          2HG1      VAL 101  -1.391  -5.058   9.783
  820   3HG1  VAL 101          3HG1      VAL 101   0.118  -5.934   9.533
  821   1HG2  VAL 101          1HG2      VAL 101  -1.072  -7.049   6.062
  822   2HG2  VAL 101          2HG2      VAL 101  -1.260  -7.888   7.601
  823   3HG2  VAL 101          3HG2      VAL 101   0.313  -7.240   7.137
  824    H    GLY 102           H        GLY 102  -3.824  -7.202   6.202
  825   1HA   GLY 102          2HA       GLY 102  -5.026  -9.124   6.885
  826   2HA   GLY 102          1HA       GLY 102  -4.565  -8.775   8.551
  827    H    SER 103           H        SER 103  -7.056  -9.495   8.516
  828    HA   SER 103           HA       SER 103  -9.052  -7.638   7.715
  829   1HB   SER 103          2HB       SER 103 -10.488  -8.766   9.394
  830   2HB   SER 103          1HB       SER 103  -9.591  -9.928   8.419
  831    HG   SER 103           HG       SER 103  -7.978  -9.534  10.306
  832    H    CYS 104           H        CYS 104 -10.144  -5.993   8.922
  833    HA   CYS 104           HA       CYS 104  -8.396  -4.598  10.832
  834   1HB   CYS 104          2HB       CYS 104 -10.541  -3.008  10.760
  835   2HB   CYS 104          1HB       CYS 104  -9.378  -3.026   9.436
  836    HA   PRO 105           HA       PRO 105 -10.433  -6.055  14.477
  837   1HB   PRO 105          2HB       PRO 105 -10.246  -3.863  16.117
  838   2HB   PRO 105          1HB       PRO 105  -8.865  -4.903  15.718
  839   1HG   PRO 105          2HG       PRO 105  -9.636  -2.262  14.570
  840   2HG   PRO 105          1HG       PRO 105  -8.030  -2.884  14.994
  841   1HD   PRO 105          2HD       PRO 105  -8.952  -2.832  12.423
  842   2HD   PRO 105          1HD       PRO 105  -7.814  -4.065  13.009
  Start of MODEL    5
    1    HN   PCA   1           H        PCA   1  -6.373   9.321   1.056
    2    HA   PCA   1           HA       PCA   1  -7.815  11.416   1.689
    3   1HB   PCA   1          1HB       PCA   1  -6.447  12.843   2.815
    4   2HB   PCA   1          2HB       PCA   1  -5.837  13.326   1.250
    5   1HG   PCA   1          1HG       PCA   1  -4.460  12.084   3.163
    6   2HG   PCA   1          2HG       PCA   1  -4.079  12.053   1.427
    7    H    ASP   2           H        ASP   2  -6.037  10.042  -0.721
    8    HA   ASP   2           HA       ASP   2  -7.670  11.235  -2.773
    9   1HB   ASP   2          2HB       ASP   2  -4.912  12.311  -2.311
   10   2HB   ASP   2          1HB       ASP   2  -5.439  12.094  -3.980
   11    H    TRP   3           H        TRP   3  -7.838   9.676  -4.319
   12    HA   TRP   3           HA       TRP   3  -6.513   7.201  -4.151
   13   1HB   TRP   3          2HB       TRP   3  -8.467   7.166  -5.432
   14   2HB   TRP   3          1HB       TRP   3  -8.016   8.605  -6.339
   15    HD1  TRP   3           HD       TRP   3  -7.816   7.870  -8.743
   16    HE1  TRP   3           1HE      TRP   3  -6.592   5.995 -10.012
   17    HE3  TRP   3           3HE      TRP   3  -5.971   5.169  -4.802
   18    HZ2  TRP   3           2HZ      TRP   3  -5.048   3.665  -9.444
   19    HZ3  TRP   3           3HZ      TRP   3  -4.631   3.132  -5.205
   20    HH2  TRP   3           HH       TRP   3  -4.165   2.375  -7.520
   21    H    GLU   4           H        GLU   4  -5.536  10.162  -5.769
   22    HA   GLU   4           HA       GLU   4  -3.479   9.057  -7.420
   23   1HB   GLU   4          2HB       GLU   4  -3.838  11.775  -6.142
   24   2HB   GLU   4          1HB       GLU   4  -2.458  11.400  -7.176
   25   1HG   GLU   4          2HG       GLU   4  -4.327  12.448  -8.445
   26   2HG   GLU   4          1HG       GLU   4  -3.957  10.822  -9.021
   27    H    THR   5           H        THR   5  -2.699  11.058  -4.571
   28    HA   THR   5           HA       THR   5  -0.153   9.972  -4.138
   29    HB   THR   5           HB       THR   5  -1.043  11.949  -2.940
   30    HG1  THR   5           1HG      THR   5   0.612  11.359  -1.793
   31   1HG2  THR   5          1HG2      THR   5  -2.672  11.803  -1.257
   32   2HG2  THR   5          2HG2      THR   5  -2.440  10.066  -1.057
   33   3HG2  THR   5          3HG2      THR   5  -3.278  10.685  -2.480
   34    H    PHE   6           H        PHE   6  -3.243   8.905  -2.682
   35    HA   PHE   6           HA       PHE   6  -2.282   6.781  -1.125
   36   1HB   PHE   6          2HB       PHE   6  -4.703   7.589  -1.380
   37   2HB   PHE   6          1HB       PHE   6  -4.776   6.581  -2.824
   38    HD1  PHE   6           1HD      PHE   6  -3.830   6.419   0.802
   39    HD2  PHE   6           2HD      PHE   6  -5.338   4.317  -2.627
   40    HE1  PHE   6           1HE      PHE   6  -4.257   4.425   2.209
   41    HE2  PHE   6           2HE      PHE   6  -5.764   2.324  -1.220
   42    HZ   PHE   6           HZ       PHE   6  -5.227   2.376   1.199
   43    H    GLN   7           H        GLN   7  -2.400   7.126  -4.573
   44    HA   GLN   7           HA       GLN   7  -1.913   4.244  -5.026
   45   1HB   GLN   7          2HB       GLN   7  -3.336   5.527  -6.619
   46   2HB   GLN   7          1HB       GLN   7  -1.956   6.551  -6.999
   47   1HG   GLN   7          2HG       GLN   7  -1.725   3.563  -7.261
   48   2HG   GLN   7          1HG       GLN   7  -2.480   4.509  -8.544
   49   1HE2  GLN   7          1HE2      GLN   7  -0.871   6.858  -8.443
   50   2HE2  GLN   7          2HE2      GLN   7   0.716   6.452  -8.887
   51    H    LYS   8           H        LYS   8  -0.188   7.195  -4.568
   52    HA   LYS   8           HA       LYS   8   2.266   6.182  -5.860
   53   1HB   LYS   8          2HB       LYS   8   1.888   8.709  -4.238
   54   2HB   LYS   8          1HB       LYS   8   3.196   8.352  -5.366
   55   1HG   LYS   8          2HG       LYS   8   0.358   8.260  -6.358
   56   2HG   LYS   8          1HG       LYS   8   1.135   9.825  -6.142
   57   1HD   LYS   8          2HD       LYS   8   2.629   7.673  -7.610
   58   2HD   LYS   8          1HD       LYS   8   1.336   8.528  -8.448
   59   1HE   LYS   8          2HE       LYS   8   3.479  10.041  -6.959
   60   2HE   LYS   8          1HE       LYS   8   3.732   9.500  -8.619
   61   1HZ   LYS   8          1HZ       LYS   8   1.237  10.620  -8.623
   62   2HZ   LYS   8          2HZ       LYS   8   2.658  11.326  -9.229
   63   3HZ   LYS   8          3HZ       LYS   8   2.148  11.662  -7.644
   64    H    LYS   9           H        LYS   9   1.309   7.160  -2.532
   65    HA   LYS   9           HA       LYS   9   3.822   6.071  -1.485
   66   1HB   LYS   9          2HB       LYS   9   2.661   6.678   0.758
   67   2HB   LYS   9          1HB       LYS   9   3.136   7.985  -0.326
   68   1HG   LYS   9          2HG       LYS   9   0.934   8.376  -1.036
   69   2HG   LYS   9          1HG       LYS   9   0.385   6.778  -0.532
   70   1HD   LYS   9          2HD       LYS   9   0.463   7.369   1.780
   71   2HD   LYS   9          1HD       LYS   9   1.370   8.844   1.443
   72   1HE   LYS   9          2HE       LYS   9  -0.502   9.946   0.553
   73   2HE   LYS   9          1HE       LYS   9  -1.359   8.437   0.237
   74   1HZ   LYS   9          1HZ       LYS   9  -1.811   9.997   2.354
   75   2HZ   LYS   9          2HZ       LYS   9  -0.677   8.916   3.009
   76   3HZ   LYS   9          3HZ       LYS   9  -2.118   8.329   2.327
   77    H    HIS  10           H        HIS  10   0.352   5.165  -1.172
   78    HA   HIS  10           HA       HIS  10   1.082   2.831   0.440
   79   1HB   HIS  10          2HB       HIS  10  -1.527   3.799  -0.728
   80   2HB   HIS  10          1HB       HIS  10  -1.389   2.267   0.131
   81    HD1  HIS  10           1HD      HIS  10  -0.792   2.369   2.681
   82    HD2  HIS  10           2HD      HIS  10  -1.379   6.104   0.917
   83    HE1  HIS  10           1HE      HIS  10  -1.004   4.035   4.579
   84    HE2  HIS  10           2HE      HIS  10  -1.362   6.309   3.517
   85    H    LEU  11           H        LEU  11   1.056   3.425  -2.920
   86    HA   LEU  11           HA       LEU  11   0.985   0.458  -3.405
   87   1HB   LEU  11          2HB       LEU  11  -0.414   2.684  -4.795
   88   2HB   LEU  11          1HB       LEU  11   0.286   1.451  -5.833
   89    HG   LEU  11           HG       LEU  11  -0.902  -0.285  -4.469
   90   1HD1  LEU  11          1HD1      LEU  11  -1.897   2.206  -3.101
   91   2HD1  LEU  11          2HD1      LEU  11  -1.371   0.684  -2.392
   92   3HD1  LEU  11          3HD1      LEU  11  -2.936   0.784  -3.188
   93   1HD2  LEU  11          1HD2      LEU  11  -2.550   1.874  -5.808
   94   2HD2  LEU  11          2HD2      LEU  11  -3.168   0.274  -5.395
   95   3HD2  LEU  11          3HD2      LEU  11  -1.863   0.439  -6.570
   96    H    THR  12           H        THR  12   2.381  -0.292  -5.104
   97    HA   THR  12           HA       THR  12   4.395   1.683  -6.079
   98    HB   THR  12           HB       THR  12   5.513   0.697  -4.192
   99    HG1  THR  12           1HG      THR  12   6.760   0.824  -6.059
  100   1HG2  THR  12          1HG2      THR  12   4.971  -1.351  -3.431
  101   2HG2  THR  12          2HG2      THR  12   5.589  -2.080  -4.909
  102   3HG2  THR  12          3HG2      THR  12   3.903  -1.576  -4.814
  103    H    ASP  13           H        ASP  13   6.002  -0.007  -7.540
  104    HA   ASP  13           HA       ASP  13   4.049  -1.307  -9.408
  105   1HB   ASP  13          2HB       ASP  13   6.575   0.249 -10.005
  106   2HB   ASP  13          1HB       ASP  13   5.689  -0.686 -11.211
  107    H    THR  14           H        THR  14   6.011  -2.363  -7.160
  108    HA   THR  14           HA       THR  14   6.764  -4.732  -8.725
  109    HB   THR  14           HB       THR  14   8.670  -3.179  -9.112
  110    HG1  THR  14           1HG      THR  14   8.730  -5.638  -8.381
  111   1HG2  THR  14          1HG2      THR  14  10.065  -2.479  -7.261
  112   2HG2  THR  14          2HG2      THR  14   9.082  -3.396  -6.120
  113   3HG2  THR  14          3HG2      THR  14   8.409  -1.979  -6.923
  114    H    LYS  15           H        LYS  15   7.287  -6.532  -7.376
  115    HA   LYS  15           HA       LYS  15   6.056  -6.451  -4.754
  116   1HB   LYS  15          2HB       LYS  15   7.788  -8.597  -6.026
  117   2HB   LYS  15          1HB       LYS  15   6.770  -8.806  -4.601
  118   1HG   LYS  15          2HG       LYS  15   4.767  -8.464  -5.864
  119   2HG   LYS  15          1HG       LYS  15   5.672  -7.893  -7.268
  120   1HD   LYS  15          2HD       LYS  15   6.690 -10.122  -7.529
  121   2HD   LYS  15          1HD       LYS  15   5.797 -10.699  -6.121
  122   1HE   LYS  15          2HE       LYS  15   3.675  -9.965  -7.365
  123   2HE   LYS  15          1HE       LYS  15   4.695  -9.828  -8.797
  124   1HZ   LYS  15          1HZ       LYS  15   4.478 -11.999  -9.072
  125   2HZ   LYS  15          2HZ       LYS  15   3.596 -12.146  -7.628
  126   3HZ   LYS  15          3HZ       LYS  15   5.291 -12.263  -7.608
  127    H    LYS  16           H        LYS  16   9.268  -5.993  -5.973
  128    HA   LYS  16           HA       LYS  16  10.331  -5.985  -3.171
  129   1HB   LYS  16          2HB       LYS  16  12.590  -6.213  -4.370
  130   2HB   LYS  16          1HB       LYS  16  11.546  -7.634  -4.388
  131   1HG   LYS  16          2HG       LYS  16  10.718  -6.986  -6.632
  132   2HG   LYS  16          1HG       LYS  16  11.797  -5.593  -6.620
  133   1HD   LYS  16          2HD       LYS  16  12.928  -8.340  -6.145
  134   2HD   LYS  16          1HD       LYS  16  12.562  -7.825  -7.791
  135   1HE   LYS  16          2HE       LYS  16  14.359  -6.351  -5.841
  136   2HE   LYS  16          1HE       LYS  16  14.899  -7.302  -7.224
  137   1HZ   LYS  16          1HZ       LYS  16  13.454  -4.735  -7.195
  138   2HZ   LYS  16          2HZ       LYS  16  13.349  -5.760  -8.546
  139   3HZ   LYS  16          3HZ       LYS  16  14.858  -5.160  -8.045
  140    H    VAL  17           H        VAL  17   9.185  -3.728  -3.426
  141    HA   VAL  17           HA       VAL  17  10.170  -1.668  -5.057
  142    HB   VAL  17           HB       VAL  17   9.472  -0.108  -3.289
  143   1HG1  VAL  17          1HG1      VAL  17   7.184  -0.698  -3.288
  144   2HG1  VAL  17          2HG1      VAL  17   7.550  -2.423  -3.302
  145   3HG1  VAL  17          3HG1      VAL  17   7.836  -1.453  -4.742
  146   1HG2  VAL  17          1HG2      VAL  17  10.312  -1.149  -1.306
  147   2HG2  VAL  17          2HG2      VAL  17   9.435  -2.644  -1.633
  148   3HG2  VAL  17          3HG2      VAL  17   8.555  -1.192  -1.156
  149    H    LYS  18           H        LYS  18  11.519   0.205  -4.229
  150    HA   LYS  18           HA       LYS  18  14.044  -0.907  -3.123
  151   1HB   LYS  18          2HB       LYS  18  14.922   1.410  -3.881
  152   2HB   LYS  18          1HB       LYS  18  14.489   0.259  -5.144
  153   1HG   LYS  18          2HG       LYS  18  12.299   1.316  -5.408
  154   2HG   LYS  18          1HG       LYS  18  12.649   2.420  -4.080
  155   1HD   LYS  18          2HD       LYS  18  13.169   3.722  -5.961
  156   2HD   LYS  18          1HD       LYS  18  14.744   3.081  -5.497
  157   1HE   LYS  18          2HE       LYS  18  14.591   1.336  -7.181
  158   2HE   LYS  18          1HE       LYS  18  12.937   1.806  -7.572
  159   1HZ   LYS  18          1HZ       LYS  18  14.218   2.835  -9.190
  160   2HZ   LYS  18          2HZ       LYS  18  15.445   3.271  -8.100
  161   3HZ   LYS  18          3HZ       LYS  18  13.949   4.077  -8.067
  162    H    CYS  19           H        CYS  19  12.634  -0.907  -1.071
  163    HA   CYS  19           HA       CYS  19  11.592   1.087   0.384
  164   1HB   CYS  19          2HB       CYS  19  13.627  -0.956   1.263
  165   2HB   CYS  19          1HB       CYS  19  12.856   0.139   2.410
  166    H    ASP  20           H        ASP  20  15.103   0.790  -0.166
  167    HA   ASP  20           HA       ASP  20  16.076   2.765   1.541
  168   1HB   ASP  20          2HB       ASP  20  17.606   1.477   0.189
  169   2HB   ASP  20          1HB       ASP  20  16.913   2.123  -1.299
  170    H    VAL  21           H        VAL  21  14.488   3.186  -1.588
  171    HA   VAL  21           HA       VAL  21  14.539   6.143  -1.183
  172    HB   VAL  21           HB       VAL  21  13.513   4.845  -3.680
  173   1HG1  VAL  21          1HG1      VAL  21  13.577   7.369  -3.161
  174   2HG1  VAL  21          2HG1      VAL  21  14.253   6.854  -4.705
  175   3HG1  VAL  21          3HG1      VAL  21  15.324   7.240  -3.359
  176   1HG2  VAL  21          1HG2      VAL  21  16.416   5.048  -2.847
  177   2HG2  VAL  21          2HG2      VAL  21  15.910   4.867  -4.525
  178   3HG2  VAL  21          3HG2      VAL  21  15.544   3.601  -3.353
  179    H    GLU  22           H        GLU  22  12.423   3.341  -1.603
  180    HA   GLU  22           HA       GLU  22   9.942   4.690  -1.865
  181   1HB   GLU  22          2HB       GLU  22  10.767   2.032  -1.545
  182   2HB   GLU  22          1HB       GLU  22   9.758   2.342  -0.132
  183   1HG   GLU  22          2HG       GLU  22   8.277   1.574  -1.847
  184   2HG   GLU  22          1HG       GLU  22   8.032   3.318  -1.737
  185    H    MET  23           H        MET  23  12.193   4.892   0.553
  186    HA   MET  23           HA       MET  23  10.170   5.907   2.516
  187   1HB   MET  23          2HB       MET  23  12.703   4.324   3.041
  188   2HB   MET  23          1HB       MET  23  11.808   5.176   4.297
  189   1HG   MET  23          2HG       MET  23   9.752   3.833   3.406
  190   2HG   MET  23          1HG       MET  23  10.967   2.787   2.672
  191   1HE   MET  23          1HE       MET  23  11.225   4.612   6.465
  192   2HE   MET  23          2HE       MET  23   9.901   3.569   6.972
  193   3HE   MET  23          3HE       MET  23   9.704   4.603   5.562
  194    H    ALA  24           H        ALA  24  13.601   6.026   1.514
  195    HA   ALA  24           HA       ALA  24  14.134   8.492   2.908
  196   1HB   ALA  24          1HB       ALA  24  15.872   6.830   2.124
  197   2HB   ALA  24          2HB       ALA  24  16.228   8.508   1.714
  198   3HB   ALA  24          3HB       ALA  24  15.594   7.415   0.483
  199    H    LYS  25           H        LYS  25  12.013   7.992   0.509
  200    HA   LYS  25           HA       LYS  25  12.519   9.854  -1.533
  201   1HB   LYS  25          2HB       LYS  25  10.058   8.779  -0.224
  202   2HB   LYS  25          1HB       LYS  25   9.858  10.212  -1.226
  203   1HG   LYS  25          2HG       LYS  25  10.246   9.077  -3.165
  204   2HG   LYS  25          1HG       LYS  25  11.521   8.094  -2.455
  205   1HD   LYS  25          2HD       LYS  25   9.727   6.601  -2.962
  206   2HD   LYS  25          1HD       LYS  25   9.698   6.828  -1.212
  207   1HE   LYS  25          2HE       LYS  25   7.426   7.036  -2.000
  208   2HE   LYS  25          1HE       LYS  25   7.985   8.653  -1.572
  209   1HZ   LYS  25          1HZ       LYS  25   7.408   7.517  -4.192
  210   2HZ   LYS  25          2HZ       LYS  25   8.730   8.581  -4.100
  211   3HZ   LYS  25          3HZ       LYS  25   7.183   9.098  -3.622
  212    H    ALA  26           H        ALA  26  10.727  11.901  -1.503
  213    HA   ALA  26           HA       ALA  26  11.773  13.641   0.677
  214   1HB   ALA  26          1HB       ALA  26  12.075  14.426  -1.649
  215   2HB   ALA  26          2HB       ALA  26  11.007  15.503  -0.748
  216   3HB   ALA  26          3HB       ALA  26  10.331  14.350  -1.898
  217    H    LEU  27           H        LEU  27   8.998  11.885  -0.204
  218    HA   LEU  27           HA       LEU  27   7.170  13.716   1.267
  219   1HB   LEU  27          2HB       LEU  27   5.388  12.583   0.250
  220   2HB   LEU  27          1HB       LEU  27   6.630  12.524  -0.995
  221    HG   LEU  27           HG       LEU  27   7.298  10.255   0.181
  222   1HD1  LEU  27          1HD1      LEU  27   4.753  10.951   1.481
  223   2HD1  LEU  27          2HD1      LEU  27   5.940   9.728   1.919
  224   3HD1  LEU  27          3HD1      LEU  27   4.714   9.368   0.711
  225   1HD2  LEU  27          1HD2      LEU  27   6.525  10.408  -2.123
  226   2HD2  LEU  27          2HD2      LEU  27   4.857  10.609  -1.586
  227   3HD2  LEU  27          3HD2      LEU  27   5.687   9.074  -1.331
  228    H    PHE  28           H        PHE  28   9.272  11.274   1.986
  229    HA   PHE  28           HA       PHE  28   7.599  10.337   4.296
  230   1HB   PHE  28          2HB       PHE  28   9.542   8.912   2.513
  231   2HB   PHE  28          1HB       PHE  28   9.418   8.399   4.192
  232    HD1  PHE  28           1HD      PHE  28   8.173   7.796   0.992
  233    HD2  PHE  28           2HD      PHE  28   6.839   8.279   5.049
  234    HE1  PHE  28           1HE      PHE  28   6.106   6.532   0.464
  235    HE2  PHE  28           2HE      PHE  28   4.772   7.017   4.518
  236    HZ   PHE  28           HZ       PHE  28   4.405   6.144   2.226
  237    H    ASP  29           H        ASP  29  10.848  11.289   3.217
  238    HA   ASP  29           HA       ASP  29  12.535  12.387   4.433
  239   1HB   ASP  29          2HB       ASP  29  10.943  12.210   6.976
  240   2HB   ASP  29          1HB       ASP  29  12.021  13.488   6.419
  241    H    CYS  30           H        CYS  30  12.373   9.522   4.130
  242    HA   CYS  30           HA       CYS  30  13.356   7.566   4.971
  243   1HB   CYS  30          2HB       CYS  30  15.373   8.913   4.837
  244   2HB   CYS  30          1HB       CYS  30  15.010   9.680   6.381
  245    H    LYS  31           H        LYS  31  11.143   7.407   6.194
  246    HA   LYS  31           HA       LYS  31  11.122   7.974   9.035
  247   1HB   LYS  31          2HB       LYS  31   9.469   5.885   7.593
  248   2HB   LYS  31          1HB       LYS  31   9.072   6.699   9.098
  249   1HG   LYS  31          2HG       LYS  31   9.318   8.026   6.386
  250   2HG   LYS  31          1HG       LYS  31   7.804   7.645   7.197
  251   1HD   LYS  31          2HD       LYS  31   9.919   9.625   8.087
  252   2HD   LYS  31          1HD       LYS  31   8.266   9.972   7.591
  253   1HE   LYS  31          2HE       LYS  31   7.600   8.392   9.567
  254   2HE   LYS  31          1HE       LYS  31   9.233   8.721  10.147
  255   1HZ   LYS  31          1HZ       LYS  31   6.931  10.430  10.101
  256   2HZ   LYS  31          2HZ       LYS  31   8.311  11.167   9.439
  257   3HZ   LYS  31          3HZ       LYS  31   8.350  10.550  11.021
  258    H    LYS  32           H        LYS  32  10.053   5.102   9.494
  259    HA   LYS  32           HA       LYS  32  12.689   3.703   9.645
  260   1HB   LYS  32          2HB       LYS  32  12.318   3.056  11.916
  261   2HB   LYS  32          1HB       LYS  32  12.021   4.791  11.845
  262   1HG   LYS  32          2HG       LYS  32  10.062   4.278  12.894
  263   2HG   LYS  32          1HG       LYS  32   9.519   3.812  11.286
  264   1HD   LYS  32          2HD       LYS  32   9.014   1.906  12.550
  265   2HD   LYS  32          1HD       LYS  32  10.588   1.491  11.874
  266   1HE   LYS  32          2HE       LYS  32  11.690   2.220  13.948
  267   2HE   LYS  32          1HE       LYS  32  10.131   2.695  14.622
  268   1HZ   LYS  32          1HZ       LYS  32   9.425   0.499  14.740
  269   2HZ   LYS  32          2HZ       LYS  32  11.049   0.413  15.231
  270   3HZ   LYS  32          3HZ       LYS  32  10.609  -0.054  13.659
  271    H    THR  33           H        THR  33   9.230   3.561   9.250
  272    HA   THR  33           HA       THR  33   9.503   0.739   8.338
  273    HB   THR  33           HB       THR  33   8.613   0.662  10.654
  274    HG1  THR  33           1HG      THR  33   7.761  -0.595   8.702
  275   1HG2  THR  33          1HG2      THR  33   7.536   3.001  10.373
  276   2HG2  THR  33          2HG2      THR  33   6.649   1.796  11.305
  277   3HG2  THR  33          3HG2      THR  33   6.188   2.134   9.637
  278    H    ASN  34           H        ASN  34   7.892   0.183   6.718
  279    HA   ASN  34           HA       ASN  34   5.985   2.248   5.875
  280   1HB   ASN  34          2HB       ASN  34   8.358   2.789   4.929
  281   2HB   ASN  34          1HB       ASN  34   8.050   1.437   3.842
  282   1HD2  ASN  34          1HD2      ASN  34   8.025   4.606   3.589
  283   2HD2  ASN  34          2HD2      ASN  34   6.611   4.882   2.692
  284    H    THR  35           H        THR  35   4.488   1.456   4.314
  285    HA   THR  35           HA       THR  35   4.772  -1.395   3.508
  286    HB   THR  35           HB       THR  35   2.339  -0.214   4.883
  287    HG1  THR  35           1HG      THR  35   4.507  -1.249   5.874
  288   1HG2  THR  35          1HG2      THR  35   1.593  -1.760   3.211
  289   2HG2  THR  35          2HG2      THR  35   1.555  -2.627   4.746
  290   3HG2  THR  35          3HG2      THR  35   2.874  -2.904   3.609
  291    H    PHE  36           H        PHE  36   3.506  -1.926   1.631
  292    HA   PHE  36           HA       PHE  36   1.949   0.239   0.354
  293   1HB   PHE  36          2HB       PHE  36   3.955  -0.977  -1.475
  294   2HB   PHE  36          1HB       PHE  36   3.302   0.652  -1.461
  295    HD1  PHE  36           1HD      PHE  36   4.738   2.377  -0.851
  296    HD2  PHE  36           2HD      PHE  36   5.433  -1.565   0.685
  297    HE1  PHE  36           1HE      PHE  36   6.809   3.173   0.253
  298    HE2  PHE  36           2HE      PHE  36   7.498  -0.776   1.794
  299    HZ   PHE  36           HZ       PHE  36   8.193   1.595   1.571
  300    H    ILE  37           H        ILE  37   1.175  -0.737  -1.932
  301    HA   ILE  37           HA       ILE  37   0.592  -3.641  -1.490
  302    HB   ILE  37           HB       ILE  37  -1.268  -1.580  -2.688
  303   1HG1  ILE  37          2HG1      ILE  37  -1.773  -2.931  -0.054
  304   2HG1  ILE  37          1HG1      ILE  37  -0.665  -1.565  -0.085
  305   1HG2  ILE  37          1HG2      ILE  37  -1.591  -4.493  -1.931
  306   2HG2  ILE  37          2HG2      ILE  37  -1.698  -3.796  -3.547
  307   3HG2  ILE  37          3HG2      ILE  37  -2.938  -3.434  -2.347
  308   1HD1  ILE  37          1HD1      ILE  37  -2.324  -0.060  -0.457
  309   2HD1  ILE  37          2HD1      ILE  37  -3.369  -1.327   0.180
  310   3HD1  ILE  37          3HD1      ILE  37  -3.190  -1.128  -1.562
  311    H    TYR  38           H        TYR  38   1.027  -4.958  -3.194
  312    HA   TYR  38           HA       TYR  38   2.029  -3.660  -5.679
  313   1HB   TYR  38          2HB       TYR  38   3.422  -5.426  -4.670
  314   2HB   TYR  38          1HB       TYR  38   2.081  -6.563  -4.801
  315    HD1  TYR  38           1HD      TYR  38   3.883  -4.105  -6.999
  316    HD2  TYR  38           2HD      TYR  38   2.107  -8.000  -6.631
  317    HE1  TYR  38           1HE      TYR  38   4.534  -4.623  -9.335
  318    HE2  TYR  38           2HE      TYR  38   2.762  -8.518  -8.965
  319    HH   TYR  38           HH       TYR  38   3.269  -7.183 -11.070
  320    H    ALA  39           H        ALA  39   0.198  -3.090  -6.862
  321    HA   ALA  39           HA       ALA  39  -1.331  -5.327  -8.020
  322   1HB   ALA  39          1HB       ALA  39  -2.685  -4.824  -6.059
  323   2HB   ALA  39          2HB       ALA  39  -3.521  -4.230  -7.494
  324   3HB   ALA  39          3HB       ALA  39  -2.662  -3.103  -6.445
  325    H    LEU  40           H        LEU  40  -2.374  -4.708 -10.007
  326    HA   LEU  40           HA       LEU  40  -1.133  -2.352 -11.239
  327   1HB   LEU  40          2HB       LEU  40  -1.501  -3.394 -13.241
  328   2HB   LEU  40          1HB       LEU  40  -1.665  -4.808 -12.209
  329    HG   LEU  40           HG       LEU  40  -4.217  -3.993 -12.120
  330   1HD1  LEU  40          1HD1      LEU  40  -3.528  -1.994 -13.597
  331   2HD1  LEU  40          2HD1      LEU  40  -4.933  -2.917 -14.117
  332   3HD1  LEU  40          3HD1      LEU  40  -3.375  -3.164 -14.902
  333   1HD2  LEU  40          1HD2      LEU  40  -2.904  -5.492 -14.406
  334   2HD2  LEU  40          2HD2      LEU  40  -4.635  -5.506 -14.069
  335   3HD2  LEU  40          3HD2      LEU  40  -3.503  -6.190 -12.901
  336    HA   PRO  41           HA       PRO  41  -4.185   0.741 -10.594
  337   1HB   PRO  41          2HB       PRO  41  -4.417   0.911 -13.565
  338   2HB   PRO  41          1HB       PRO  41  -4.113   2.195 -12.382
  339   1HG   PRO  41          2HG       PRO  41  -2.196   1.038 -13.965
  340   2HG   PRO  41          1HG       PRO  41  -1.879   1.881 -12.442
  341   1HD   PRO  41          2HD       PRO  41  -1.578  -0.948 -13.021
  342   2HD   PRO  41          1HD       PRO  41  -1.152  -0.073 -11.536
  343    H    GLY  42           H        GLY  42  -5.069  -1.168 -13.500
  344   1HA   GLY  42          2HA       GLY  42  -7.846  -0.854 -13.344
  345   2HA   GLY  42          1HA       GLY  42  -7.079  -2.296 -14.004
  346    H    ARG  43           H        ARG  43  -5.885  -3.372 -11.747
  347    HA   ARG  43           HA       ARG  43  -8.066  -4.697 -10.480
  348   1HB   ARG  43          2HB       ARG  43  -5.796  -5.670 -10.698
  349   2HB   ARG  43          1HB       ARG  43  -5.193  -4.483  -9.540
  350   1HG   ARG  43          2HG       ARG  43  -6.428  -5.413  -7.757
  351   2HG   ARG  43          1HG       ARG  43  -7.512  -6.283  -8.843
  352   1HD   ARG  43          2HD       ARG  43  -4.552  -6.882  -8.722
  353   2HD   ARG  43          1HD       ARG  43  -5.714  -7.684  -7.665
  354    HE   ARG  43           HE       ARG  43  -6.417  -7.805 -10.505
  355   1HH1  ARG  43          1HH2      ARG  43  -4.716  -9.195  -7.847
  356   2HH1  ARG  43          2HH2      ARG  43  -4.697 -10.789  -8.522
  357   1HH2  ARG  43          1HH1      ARG  43  -6.401  -9.880 -11.400
  358   2HH2  ARG  43          2HH1      ARG  43  -5.650 -11.177 -10.534
  359    H    VAL  44           H        VAL  44  -6.205  -1.833  -9.576
  360    HA   VAL  44           HA       VAL  44  -7.269  -1.777  -6.859
  361    HB   VAL  44           HB       VAL  44  -5.955   0.456  -8.437
  362   1HG1  VAL  44          1HG1      VAL  44  -5.294   1.060  -5.987
  363   2HG1  VAL  44          2HG1      VAL  44  -6.634   0.009  -5.533
  364   3HG1  VAL  44          3HG1      VAL  44  -6.930   1.432  -6.531
  365   1HG2  VAL  44          1HG2      VAL  44  -4.633  -1.725  -8.220
  366   2HG2  VAL  44          2HG2      VAL  44  -4.642  -1.446  -6.479
  367   3HG2  VAL  44          3HG2      VAL  44  -3.858  -0.288  -7.553
  368    H    LYS  45           H        LYS  45  -7.736   0.359  -9.700
  369    HA   LYS  45           HA       LYS  45  -9.963   1.767  -8.613
  370   1HB   LYS  45          2HB       LYS  45  -9.601   1.152 -11.554
  371   2HB   LYS  45          1HB       LYS  45 -10.337   2.580 -10.826
  372   1HG   LYS  45          2HG       LYS  45  -8.195   3.332  -9.986
  373   2HG   LYS  45          1HG       LYS  45  -7.417   1.835 -10.490
  374   1HD   LYS  45          2HD       LYS  45  -7.667   2.348 -12.795
  375   2HD   LYS  45          1HD       LYS  45  -8.823   3.638 -12.461
  376   1HE   LYS  45          2HE       LYS  45  -7.077   4.972 -11.391
  377   2HE   LYS  45          1HE       LYS  45  -5.911   3.668 -11.615
  378   1HZ   LYS  45          1HZ       LYS  45  -5.450   4.615 -13.555
  379   2HZ   LYS  45          2HZ       LYS  45  -6.797   5.647 -13.473
  380   3HZ   LYS  45          3HZ       LYS  45  -6.963   4.077 -14.100
  381    H    ALA  46           H        ALA  46  -9.619  -1.409  -9.865
  382    HA   ALA  46           HA       ALA  46 -12.403  -1.832 -10.586
  383   1HB   ALA  46          1HB       ALA  46 -11.642  -4.292 -10.471
  384   2HB   ALA  46          2HB       ALA  46 -10.037  -3.654 -10.126
  385   3HB   ALA  46          3HB       ALA  46 -10.830  -3.266 -11.653
  386    H    LEU  47           H        LEU  47 -10.382  -2.503  -7.738
  387    HA   LEU  47           HA       LEU  47 -12.340  -3.976  -6.271
  388   1HB   LEU  47          2HB       LEU  47  -9.950  -2.321  -5.460
  389   2HB   LEU  47          1HB       LEU  47 -10.986  -3.076  -4.249
  390    HG   LEU  47           HG       LEU  47  -9.959  -4.746  -6.529
  391   1HD1  LEU  47          1HD1      LEU  47  -8.392  -3.834  -4.108
  392   2HD1  LEU  47          2HD1      LEU  47  -7.909  -3.770  -5.803
  393   3HD1  LEU  47          3HD1      LEU  47  -8.006  -5.322  -4.972
  394   1HD2  LEU  47          1HD2      LEU  47 -11.599  -5.707  -4.973
  395   2HD2  LEU  47          2HD2      LEU  47 -10.580  -5.270  -3.602
  396   3HD2  LEU  47          3HD2      LEU  47 -10.036  -6.491  -4.752
  397    H    CYS  48           H        CYS  48 -12.182  -0.643  -7.091
  398    HA   CYS  48           HA       CYS  48 -14.280  -0.031  -5.036
  399   1HB   CYS  48          2HB       CYS  48 -12.097   1.681  -6.228
  400   2HB   CYS  48          1HB       CYS  48 -13.526   2.404  -5.496
  401    H    LYS  49           H        LYS  49 -14.430  -1.132  -7.880
  402    HA   LYS  49           HA       LYS  49 -15.720   1.077  -9.341
  403   1HB   LYS  49          2HB       LYS  49 -14.629  -1.550  -9.972
  404   2HB   LYS  49          1HB       LYS  49 -16.225  -1.341 -10.688
  405   1HG   LYS  49          2HG       LYS  49 -15.486   0.810 -11.680
  406   2HG   LYS  49          1HG       LYS  49 -13.883   0.565 -10.987
  407   1HD   LYS  49          2HD       LYS  49 -13.543  -0.306 -13.112
  408   2HD   LYS  49          1HD       LYS  49 -14.049  -1.763 -12.258
  409   1HE   LYS  49          2HE       LYS  49 -15.317  -1.649 -14.309
  410   2HE   LYS  49          1HE       LYS  49 -16.418  -1.259 -12.988
  411   1HZ   LYS  49          1HZ       LYS  49 -16.867   0.565 -14.160
  412   2HZ   LYS  49          2HZ       LYS  49 -15.506   0.384 -15.159
  413   3HZ   LYS  49          3HZ       LYS  49 -15.358   1.144 -13.647
  414    H    ASN  50           H        ASN  50 -17.801   1.579  -8.923
  415    HA   ASN  50           HA       ASN  50 -20.047   1.361  -8.287
  416   1HB   ASN  50          2HB       ASN  50 -19.790  -1.506  -9.213
  417   2HB   ASN  50          1HB       ASN  50 -21.224  -0.478  -9.243
  418   1HD2  ASN  50          1HD2      ASN  50 -19.790  -1.838 -11.543
  419   2HD2  ASN  50          2HD2      ASN  50 -19.409  -0.585 -12.623
  420    H    ILE  51           H        ILE  51 -18.616   1.252  -6.057
  421    HA   ILE  51           HA       ILE  51 -19.433  -1.221  -4.600
  422    HB   ILE  51           HB       ILE  51 -17.786  -0.171  -2.869
  423   1HG1  ILE  51          2HG1      ILE  51 -16.614   1.073  -5.350
  424   2HG1  ILE  51          1HG1      ILE  51 -17.739   1.980  -4.340
  425   1HG2  ILE  51          1HG2      ILE  51 -15.905  -1.300  -3.939
  426   2HG2  ILE  51          2HG2      ILE  51 -16.738  -1.253  -5.493
  427   3HG2  ILE  51          3HG2      ILE  51 -17.379  -2.239  -4.178
  428   1HD1  ILE  51          1HD1      ILE  51 -15.175   2.156  -3.846
  429   2HD1  ILE  51          2HD1      ILE  51 -15.389   0.583  -3.080
  430   3HD1  ILE  51          3HD1      ILE  51 -16.294   1.979  -2.496
  431    H    ARG  52           H        ARG  52 -18.575   1.423  -2.683
  432    HA   ARG  52           HA       ARG  52 -21.346   2.448  -2.431
  433   1HB   ARG  52          2HB       ARG  52 -19.799   1.173  -0.152
  434   2HB   ARG  52          1HB       ARG  52 -21.281   2.109   0.049
  435   1HG   ARG  52          2HG       ARG  52 -22.332   0.480  -1.651
  436   2HG   ARG  52          1HG       ARG  52 -20.921  -0.538  -1.360
  437   1HD   ARG  52          2HD       ARG  52 -22.851   0.452   0.760
  438   2HD   ARG  52          1HD       ARG  52 -22.777  -1.191   0.120
  439    HE   ARG  52           HE       ARG  52 -20.194  -0.506   1.099
  440   1HH1  ARG  52          1HH2      ARG  52 -23.429  -1.065   2.149
  441   2HH1  ARG  52          2HH2      ARG  52 -22.963  -1.654   3.710
  442   1HH2  ARG  52          1HH1      ARG  52 -19.565  -1.272   3.131
  443   2HH2  ARG  52          2HH1      ARG  52 -20.775  -1.770   4.266
  444    H    ASP  53           H        ASP  53 -20.867   3.877  -0.017
  445    HA   ASP  53           HA       ASP  53 -19.070   5.989  -1.053
  446   1HB   ASP  53          2HB       ASP  53 -20.030   7.375   0.693
  447   2HB   ASP  53          1HB       ASP  53 -21.338   6.529  -0.133
  448    H    ASN  54           H        ASN  54 -18.530   6.999   1.606
  449    HA   ASN  54           HA       ASN  54 -15.985   5.769   2.054
  450   1HB   ASN  54          2HB       ASN  54 -17.525   7.419   4.072
  451   2HB   ASN  54          1HB       ASN  54 -15.775   7.251   3.928
  452   1HD2  ASN  54          1HD2      ASN  54 -18.578   8.311   1.907
  453   2HD2  ASN  54          2HD2      ASN  54 -17.736   9.576   1.150
  454    H    THR  55           H        THR  55 -15.829   3.705   2.735
  455    HA   THR  55           HA       THR  55 -16.943   2.960   5.332
  456    HB   THR  55           HB       THR  55 -17.673   1.102   3.085
  457    HG1  THR  55           1HG      THR  55 -19.595   2.892   3.950
  458   1HG2  THR  55          1HG2      THR  55 -18.959   1.764   5.748
  459   2HG2  THR  55          2HG2      THR  55 -17.882   0.399   5.451
  460   3HG2  THR  55          3HG2      THR  55 -19.452   0.475   4.651
  461    H    ASP  56           H        ASP  56 -16.151   0.687   5.904
  462    HA   ASP  56           HA       ASP  56 -13.387   0.405   4.894
  463   1HB   ASP  56          2HB       ASP  56 -13.819   0.347   7.333
  464   2HB   ASP  56          1HB       ASP  56 -14.829  -1.082   7.110
  465    H    VAL  57           H        VAL  57 -12.581  -1.557   4.003
  466    HA   VAL  57           HA       VAL  57 -14.612  -3.606   3.249
  467    HB   VAL  57           HB       VAL  57 -13.933  -3.629   0.963
  468   1HG1  VAL  57          1HG1      VAL  57 -14.004  -0.711   1.781
  469   2HG1  VAL  57          2HG1      VAL  57 -15.432  -1.739   1.659
  470   3HG1  VAL  57          3HG1      VAL  57 -14.476  -1.383   0.220
  471   1HG2  VAL  57          1HG2      VAL  57 -11.565  -3.421   1.099
  472   2HG2  VAL  57          2HG2      VAL  57 -11.675  -1.869   1.926
  473   3HG2  VAL  57          3HG2      VAL  57 -12.096  -1.988   0.219
  474    H    LEU  58           H        LEU  58 -13.482  -5.622   2.418
  475    HA   LEU  58           HA       LEU  58 -10.779  -5.980   3.648
  476   1HB   LEU  58          2HB       LEU  58 -13.154  -6.928   4.751
  477   2HB   LEU  58          1HB       LEU  58 -12.569  -8.318   3.845
  478    HG   LEU  58           HG       LEU  58 -11.744  -8.316   6.179
  479   1HD1  LEU  58          1HD1      LEU  58  -9.391  -7.725   4.396
  480   2HD1  LEU  58          2HD1      LEU  58 -10.404  -9.143   4.119
  481   3HD1  LEU  58          3HD1      LEU  58  -9.553  -8.955   5.649
  482   1HD2  LEU  58          1HD2      LEU  58  -9.818  -6.129   5.745
  483   2HD2  LEU  58          2HD2      LEU  58 -10.784  -6.512   7.169
  484   3HD2  LEU  58          3HD2      LEU  58 -11.492  -5.584   5.848
  485    H    SER  59           H        SER  59  -9.375  -7.098   2.281
  486    HA   SER  59           HA       SER  59 -10.094  -7.638  -0.398
  487   1HB   SER  59          2HB       SER  59  -7.756  -7.994   1.225
  488   2HB   SER  59          1HB       SER  59  -8.012  -9.453   0.273
  489    HG   SER  59           HG       SER  59  -7.746  -6.775  -0.603
  490    H    ARG  60           H        ARG  60 -10.438  -9.704  -1.490
  491    HA   ARG  60           HA       ARG  60 -12.251 -11.404   0.049
  492   1HB   ARG  60          2HB       ARG  60 -11.322 -11.621  -2.827
  493   2HB   ARG  60          1HB       ARG  60 -12.659 -12.517  -2.105
  494   1HG   ARG  60          2HG       ARG  60 -13.767 -10.342  -1.563
  495   2HG   ARG  60          1HG       ARG  60 -12.471  -9.508  -2.422
  496   1HD   ARG  60          2HD       ARG  60 -13.051 -10.644  -4.496
  497   2HD   ARG  60          1HD       ARG  60 -14.262 -11.618  -3.660
  498    HE   ARG  60           HE       ARG  60 -15.721  -9.752  -3.698
  499   1HH1  ARG  60          1HH2      ARG  60 -12.469  -8.914  -4.478
  500   2HH1  ARG  60          2HH2      ARG  60 -12.862  -7.299  -4.967
  501   1HH2  ARG  60          1HH1      ARG  60 -16.254  -7.649  -4.333
  502   2HH2  ARG  60          2HH1      ARG  60 -15.004  -6.584  -4.885
  503    H    ASP  61           H        ASP  61  -8.942 -11.443  -0.159
  504    HA   ASP  61           HA       ASP  61  -8.799 -14.143   0.859
  505   1HB   ASP  61          2HB       ASP  61  -9.112 -14.729  -1.497
  506   2HB   ASP  61          1HB       ASP  61  -7.779 -13.671  -1.957
  507    H    ALA  62           H        ALA  62  -6.300 -12.848  -1.254
  508    HA   ALA  62           HA       ALA  62  -4.849 -11.742   1.079
  509   1HB   ALA  62          1HB       ALA  62  -2.938 -13.140   0.817
  510   2HB   ALA  62          2HB       ALA  62  -3.534 -13.793  -0.707
  511   3HB   ALA  62          3HB       ALA  62  -4.321 -14.232   0.810
  512    H    PHE  63           H        PHE  63  -2.804 -10.643   0.360
  513    HA   PHE  63           HA       PHE  63  -2.695  -9.936  -2.509
  514   1HB   PHE  63          2HB       PHE  63  -3.627  -8.117  -0.336
  515   2HB   PHE  63          1HB       PHE  63  -2.499  -7.427  -1.502
  516    HD1  PHE  63           1HD      PHE  63  -3.179  -6.900  -3.722
  517    HD2  PHE  63           2HD      PHE  63  -5.757  -9.199  -1.170
  518    HE1  PHE  63           1HE      PHE  63  -5.016  -6.669  -5.371
  519    HE2  PHE  63           2HE      PHE  63  -7.595  -8.968  -2.820
  520    HZ   PHE  63           HZ       PHE  63  -7.224  -7.703  -4.920
  521    H    LEU  64           H        LEU  64  -0.593  -9.656  -3.112
  522    HA   LEU  64           HA       LEU  64   1.496 -10.005  -1.098
  523   1HB   LEU  64          2HB       LEU  64   1.457 -10.940  -3.508
  524   2HB   LEU  64          1HB       LEU  64   1.925  -9.319  -4.010
  525    HG   LEU  64           HG       LEU  64   3.446 -10.888  -1.912
  526   1HD1  LEU  64          1HD1      LEU  64   3.626 -12.204  -3.897
  527   2HD1  LEU  64          2HD1      LEU  64   5.099 -11.237  -3.828
  528   3HD1  LEU  64          3HD1      LEU  64   3.790 -10.773  -4.915
  529   1HD2  LEU  64          1HD2      LEU  64   4.080  -8.640  -1.715
  530   2HD2  LEU  64          2HD2      LEU  64   3.860  -8.319  -3.435
  531   3HD2  LEU  64          3HD2      LEU  64   5.257  -9.239  -2.879
  532    H    LEU  65           H        LEU  65   2.052  -8.228   0.117
  533    HA   LEU  65           HA       LEU  65   2.343  -5.643  -1.348
  534   1HB   LEU  65          2HB       LEU  65   2.144  -5.072   1.411
  535   2HB   LEU  65          1HB       LEU  65   0.974  -4.704   0.160
  536    HG   LEU  65           HG       LEU  65   1.021  -7.439   1.390
  537   1HD1  LEU  65          1HD1      LEU  65  -0.226  -4.900   2.481
  538   2HD1  LEU  65          2HD1      LEU  65   0.931  -5.954   3.293
  539   3HD1  LEU  65          3HD1      LEU  65  -0.712  -6.517   2.989
  540   1HD2  LEU  65          1HD2      LEU  65  -0.355  -7.023  -0.626
  541   2HD2  LEU  65          2HD2      LEU  65  -1.125  -5.657   0.175
  542   3HD2  LEU  65          3HD2      LEU  65  -1.388  -7.293   0.777
  543    HA   PRO  66           HA       PRO  66   6.583  -5.990   0.054
  544   1HB   PRO  66          2HB       PRO  66   7.423  -3.520  -0.776
  545   2HB   PRO  66          1HB       PRO  66   7.196  -4.889  -1.881
  546   1HG   PRO  66          2HG       PRO  66   5.468  -2.532  -1.420
  547   2HG   PRO  66          1HG       PRO  66   5.749  -3.452  -2.901
  548   1HD   PRO  66          2HD       PRO  66   3.494  -3.690  -1.306
  549   2HD   PRO  66          1HD       PRO  66   4.059  -4.915  -2.464
  550    H    GLN  67           H        GLN  67   7.833  -5.088   1.869
  551    HA   GLN  67           HA       GLN  67   6.575  -2.813   3.297
  552   1HB   GLN  67          2HB       GLN  67   5.616  -5.079   4.085
  553   2HB   GLN  67          1HB       GLN  67   7.203  -5.346   4.809
  554   1HG   GLN  67          2HG       GLN  67   6.935  -3.077   5.936
  555   2HG   GLN  67          1HG       GLN  67   5.250  -3.117   5.414
  556   1HE2  GLN  67          1HE2      GLN  67   7.158  -3.835   8.041
  557   2HE2  GLN  67          2HE2      GLN  67   6.214  -5.056   8.749
  558    H    CYS  68           H        CYS  68   8.067  -1.523   4.259
  559    HA   CYS  68           HA       CYS  68  10.909  -2.445   4.221
  560   1HB   CYS  68          2HB       CYS  68   9.873   0.346   4.747
  561   2HB   CYS  68          1HB       CYS  68  11.504  -0.125   4.278
  562    H    ASP  69           H        ASP  69  12.103  -2.569   6.148
  563    HA   ASP  69           HA       ASP  69  10.744  -1.673   8.657
  564   1HB   ASP  69          2HB       ASP  69  10.225  -4.049   8.435
  565   2HB   ASP  69          1HB       ASP  69  11.930  -4.422   8.179
  566    H    ARG  70           H        ARG  70  12.143  -0.376   9.733
  567    HA   ARG  70           HA       ARG  70  15.026  -0.490   9.149
  568   1HB   ARG  70          2HB       ARG  70  13.768   1.669   9.464
  569   2HB   ARG  70          1HB       ARG  70  13.563   1.242  11.160
  570   1HG   ARG  70          2HG       ARG  70  16.287   1.332   9.849
  571   2HG   ARG  70          1HG       ARG  70  15.558   2.761  10.576
  572   1HD   ARG  70          2HD       ARG  70  15.212   0.959  12.598
  573   2HD   ARG  70          1HD       ARG  70  16.708   0.361  11.883
  574    HE   ARG  70           HE       ARG  70  17.793   2.265  12.735
  575   1HH1  ARG  70          1HH2      ARG  70  14.380   2.711  12.530
  576   2HH1  ARG  70          2HH2      ARG  70  14.401   4.255  13.315
  577   1HH2  ARG  70          1HH1      ARG  70  17.839   4.279  13.762
  578   2HH2  ARG  70          2HH1      ARG  70  16.360   5.143  14.012
  579    H    ILE  71           H        ILE  71  16.462  -1.626  10.355
  580    HA   ILE  71           HA       ILE  71  15.669  -2.416  13.134
  581    HB   ILE  71           HB       ILE  71  17.043  -4.109  11.026
  582   1HG1  ILE  71          2HG1      ILE  71  14.477  -4.598  12.564
  583   2HG1  ILE  71          1HG1      ILE  71  14.517  -3.860  10.962
  584   1HG2  ILE  71          1HG2      ILE  71  16.909  -5.864  12.881
  585   2HG2  ILE  71          2HG2      ILE  71  16.601  -4.527  13.989
  586   3HG2  ILE  71          3HG2      ILE  71  18.122  -4.602  13.100
  587   1HD1  ILE  71          1HD1      ILE  71  14.135  -6.219  10.650
  588   2HD1  ILE  71          2HD1      ILE  71  15.473  -6.631  11.724
  589   3HD1  ILE  71          3HD1      ILE  71  15.795  -5.887  10.157
  590    H    LYS  72           H        LYS  72  18.139  -1.320  10.928
  591    HA   LYS  72           HA       LYS  72  19.902  -0.789  13.261
  592   1HB   LYS  72          2HB       LYS  72  20.503  -2.985  11.999
  593   2HB   LYS  72          1HB       LYS  72  21.075  -1.915  10.719
  594   1HG   LYS  72          2HG       LYS  72  22.591  -0.802  12.291
  595   2HG   LYS  72          1HG       LYS  72  21.985  -1.802  13.611
  596   1HD   LYS  72          2HD       LYS  72  22.827  -3.816  12.536
  597   2HD   LYS  72          1HD       LYS  72  23.319  -2.892  11.116
  598   1HE   LYS  72          2HE       LYS  72  25.283  -3.247  12.486
  599   2HE   LYS  72          1HE       LYS  72  24.836  -1.546  12.609
  600   1HZ   LYS  72          1HZ       LYS  72  24.757  -3.630  14.620
  601   2HZ   LYS  72          2HZ       LYS  72  23.407  -2.599  14.598
  602   3HZ   LYS  72          3HZ       LYS  72  24.967  -1.957  14.797
  603    H    LEU  73           H        LEU  73  21.708   0.746  12.597
  604    HA   LEU  73           HA       LEU  73  22.328   2.812  11.688
  605   1HB   LEU  73          2HB       LEU  73  20.882   1.960   9.172
  606   2HB   LEU  73          1HB       LEU  73  22.323   2.962   9.314
  607    HG   LEU  73           HG       LEU  73  22.166   0.011   9.983
  608   1HD1  LEU  73          1HD1      LEU  73  23.835  -0.068   8.040
  609   2HD1  LEU  73          2HD1      LEU  73  23.308   1.571   7.659
  610   3HD1  LEU  73          3HD1      LEU  73  22.152   0.238   7.612
  611   1HD2  LEU  73          1HD2      LEU  73  23.783   1.005  11.434
  612   2HD2  LEU  73          2HD2      LEU  73  24.372   2.075  10.161
  613   3HD2  LEU  73          3HD2      LEU  73  24.708   0.345  10.085
  614    HA   PRO  74           HA       PRO  74  18.647   5.317  11.837
  615   1HB   PRO  74          2HB       PRO  74  19.489   7.662  10.745
  616   2HB   PRO  74          1HB       PRO  74  20.132   7.032  12.273
  617   1HG   PRO  74          2HG       PRO  74  21.425   7.223   9.655
  618   2HG   PRO  74          1HG       PRO  74  22.148   7.006  11.254
  619   1HD   PRO  74          2HD       PRO  74  21.590   4.982   9.234
  620   2HD   PRO  74          1HD       PRO  74  22.464   4.796  10.772
  621    H    CYS  75           H        CYS  75  19.878   4.751   8.619
  622    HA   CYS  75           HA       CYS  75  17.147   5.243   7.543
  623   1HB   CYS  75          2HB       CYS  75  18.884   7.200   7.180
  624   2HB   CYS  75          1HB       CYS  75  19.506   6.141   5.916
  625    H    HIS  76           H        HIS  76  17.693   2.756   7.959
  626    HA   HIS  76           HA       HIS  76  18.354   1.649   5.284
  627   1HB   HIS  76          2HB       HIS  76  20.438   1.523   6.665
  628   2HB   HIS  76          1HB       HIS  76  19.551   0.573   7.857
  629    HD1  HIS  76           1HD      HIS  76  18.601  -1.782   7.008
  630    HD2  HIS  76           2HD      HIS  76  21.338   0.060   4.455
  631    HE1  HIS  76           1HE      HIS  76  19.374  -3.564   5.379
  632    HE2  HIS  76           2HE      HIS  76  21.040  -2.452   3.822
  633    H    TYR  77           H        TYR  77  16.596   0.433   4.758
  634    HA   TYR  77           HA       TYR  77  15.108  -0.904   6.989
  635   1HB   TYR  77          2HB       TYR  77  13.819  -0.484   4.336
  636   2HB   TYR  77          1HB       TYR  77  13.112  -0.421   5.949
  637    HD1  TYR  77           1HD      TYR  77  13.133   1.608   7.255
  638    HD2  TYR  77           2HD      TYR  77  15.083   1.441   3.433
  639    HE1  TYR  77           1HE      TYR  77  13.346   4.076   7.258
  640    HE2  TYR  77           2HE      TYR  77  15.296   3.913   3.433
  641    HH   TYR  77           HH       TYR  77  14.154   5.850   4.490
  642    H    LYS  78           H        LYS  78  14.067  -2.960   6.411
  643    HA   LYS  78           HA       LYS  78  15.751  -4.528   4.503
  644   1HB   LYS  78          2HB       LYS  78  14.204  -5.276   6.992
  645   2HB   LYS  78          1HB       LYS  78  14.712  -6.497   5.825
  646   1HG   LYS  78          2HG       LYS  78  16.737  -4.519   6.834
  647   2HG   LYS  78          1HG       LYS  78  16.281  -5.872   7.865
  648   1HD   LYS  78          2HD       LYS  78  16.980  -6.424   4.997
  649   2HD   LYS  78          1HD       LYS  78  18.283  -6.115   6.144
  650   1HE   LYS  78          2HE       LYS  78  17.681  -7.970   7.497
  651   2HE   LYS  78          1HE       LYS  78  16.103  -8.124   6.726
  652   1HZ   LYS  78          1HZ       LYS  78  17.229  -8.717   4.659
  653   2HZ   LYS  78          2HZ       LYS  78  17.611  -9.803   5.909
  654   3HZ   LYS  78          3HZ       LYS  78  18.732  -8.617   5.438
  655    H    LEU  79           H        LEU  79  14.653  -5.928   3.019
  656    HA   LEU  79           HA       LEU  79  11.956  -4.963   2.307
  657   1HB   LEU  79          2HB       LEU  79  14.103  -5.600   0.771
  658   2HB   LEU  79          1HB       LEU  79  13.237  -7.134   0.724
  659    HG   LEU  79           HG       LEU  79  12.032  -4.431   0.053
  660   1HD1  LEU  79          1HD1      LEU  79  12.554  -6.708  -1.859
  661   2HD1  LEU  79          2HD1      LEU  79  13.778  -5.477  -1.549
  662   3HD1  LEU  79          3HD1      LEU  79  12.218  -5.016  -2.229
  663   1HD2  LEU  79          1HD2      LEU  79  10.183  -5.926  -0.850
  664   2HD2  LEU  79          2HD2      LEU  79  10.329  -5.901   0.907
  665   3HD2  LEU  79          3HD2      LEU  79  10.964  -7.267  -0.010
  666    H    SER  80           H        SER  80  10.163  -6.024   2.951
  667    HA   SER  80           HA       SER  80  10.233  -8.977   3.245
  668   1HB   SER  80          2HB       SER  80  10.702  -8.192   5.504
  669   2HB   SER  80          1HB       SER  80   9.362  -7.053   5.424
  670    HG   SER  80           HG       SER  80   8.918  -9.787   4.954
  671    H    SER  81           H        SER  81   8.488  -9.733   2.141
  672    HA   SER  81           HA       SER  81   5.991  -8.083   2.133
  673   1HB   SER  81          2HB       SER  81   5.784  -8.181  -0.173
  674   2HB   SER  81          1HB       SER  81   7.538  -8.119  -0.035
  675    HG   SER  81           HG       SER  81   6.964 -10.623   0.218
  676    H    SER  82           H        SER  82   4.043  -9.385   1.649
  677    HA   SER  82           HA       SER  82   4.226 -12.292   1.672
  678   1HB   SER  82          2HB       SER  82   3.048 -10.968   4.129
  679   2HB   SER  82          1HB       SER  82   3.254 -12.693   3.844
  680    HG   SER  82           HG       SER  82   5.045 -12.277   4.923
  681    H    THR  83           H        THR  83   1.995 -13.259   1.734
  682    HA   THR  83           HA       THR  83   0.105 -11.402   0.405
  683    HB   THR  83           HB       THR  83  -0.867 -13.926   0.025
  684    HG1  THR  83           1HG      THR  83   1.895 -14.030   0.483
  685   1HG2  THR  83          1HG2      THR  83   1.250 -12.446  -1.546
  686   2HG2  THR  83          2HG2      THR  83  -0.497 -12.309  -1.748
  687   3HG2  THR  83          3HG2      THR  83   0.325 -13.809  -2.176
  688    H    ASN  84           H        ASN  84  -1.546 -10.690   1.645
  689    HA   ASN  84           HA       ASN  84  -3.039 -12.552   3.340
  690   1HB   ASN  84          2HB       ASN  84  -2.757 -11.068   5.388
  691   2HB   ASN  84          1HB       ASN  84  -1.338 -12.020   4.951
  692   1HD2  ASN  84          1HD2      ASN  84  -2.754  -8.740   4.519
  693   2HD2  ASN  84          2HD2      ASN  84  -1.258  -7.950   4.375
  694    H    THR  85           H        THR  85  -5.076 -11.584   4.068
  695    HA   THR  85           HA       THR  85  -6.174  -9.713   2.195
  696    HB   THR  85           HB       THR  85  -7.650  -9.810   4.706
  697    HG1  THR  85           1HG      THR  85  -7.171 -12.340   3.587
  698   1HG2  THR  85          1HG2      THR  85  -8.751  -9.450   2.588
  699   2HG2  THR  85          2HG2      THR  85  -9.299 -10.998   3.219
  700   3HG2  THR  85          3HG2      THR  85  -8.095 -10.949   1.934
  701    H    ILE  86           H        ILE  86  -6.824  -7.493   2.610
  702    HA   ILE  86           HA       ILE  86  -5.461  -6.212   4.940
  703    HB   ILE  86           HB       ILE  86  -4.162  -4.900   3.613
  704   1HG1  ILE  86          2HG1      ILE  86  -6.597  -4.645   1.814
  705   2HG1  ILE  86          1HG1      ILE  86  -5.960  -3.440   2.935
  706   1HG2  ILE  86          1HG2      ILE  86  -5.122  -6.649   1.334
  707   2HG2  ILE  86          2HG2      ILE  86  -3.985  -7.198   2.564
  708   3HG2  ILE  86          3HG2      ILE  86  -3.550  -5.868   1.495
  709   1HD1  ILE  86          1HD1      ILE  86  -3.802  -3.537   1.543
  710   2HD1  ILE  86          2HD1      ILE  86  -5.194  -2.745   0.803
  711   3HD1  ILE  86          3HD1      ILE  86  -4.762  -4.390   0.334
  712    H    CYS  87           H        CYS  87  -6.509  -4.293   5.703
  713    HA   CYS  87           HA       CYS  87  -9.338  -4.050   4.784
  714   1HB   CYS  87          2HB       CYS  87  -9.204  -2.596   7.100
  715   2HB   CYS  87          1HB       CYS  87  -9.605  -4.305   7.046
  716    H    ILE  88           H        ILE  88  -9.988  -2.139   3.843
  717    HA   ILE  88           HA       ILE  88  -8.300   0.275   4.172
  718    HB   ILE  88           HB       ILE  88  -7.212  -0.166   2.220
  719   1HG1  ILE  88          2HG1      ILE  88  -9.914   0.253   0.908
  720   2HG1  ILE  88          1HG1      ILE  88  -8.903   1.563   1.523
  721   1HG2  ILE  88          1HG2      ILE  88  -7.914  -2.514   2.258
  722   2HG2  ILE  88          2HG2      ILE  88  -7.954  -1.896   0.610
  723   3HG2  ILE  88          3HG2      ILE  88  -9.452  -2.084   1.518
  724   1HD1  ILE  88          1HD1      ILE  88  -7.071   0.841   0.030
  725   2HD1  ILE  88          2HD1      ILE  88  -8.523   1.252  -0.879
  726   3HD1  ILE  88          3HD1      ILE  88  -8.105  -0.438  -0.606
  727    H    THR  89           H        THR  89  -9.427   2.235   3.318
  728    HA   THR  89           HA       THR  89 -12.391   1.810   3.326
  729    HB   THR  89           HB       THR  89 -10.635   3.838   4.603
  730    HG1  THR  89           1HG      THR  89 -12.695   2.177   5.176
  731   1HG2  THR  89          1HG2      THR  89 -12.643   5.422   4.672
  732   2HG2  THR  89          2HG2      THR  89 -13.290   4.497   3.317
  733   3HG2  THR  89          3HG2      THR  89 -11.761   5.359   3.145
  734    H    CYS  90           H        CYS  90 -13.497   2.436   1.573
  735    HA   CYS  90           HA       CYS  90 -12.134   4.166  -0.459
  736   1HB   CYS  90          2HB       CYS  90 -12.433   1.601  -0.931
  737   2HB   CYS  90          1HB       CYS  90 -14.120   2.028  -1.207
  738    H    VAL  91           H        VAL  91 -13.616   5.505  -1.719
  739    HA   VAL  91           HA       VAL  91 -16.101   6.141  -0.206
  740    HB   VAL  91           HB       VAL  91 -16.048   8.283  -1.357
  741   1HG1  VAL  91          1HG1      VAL  91 -14.517   7.801   0.633
  742   2HG1  VAL  91          2HG1      VAL  91 -14.059   9.173  -0.377
  743   3HG1  VAL  91          3HG1      VAL  91 -13.208   7.636  -0.537
  744   1HG2  VAL  91          1HG2      VAL  91 -13.981   6.864  -3.014
  745   2HG2  VAL  91          2HG2      VAL  91 -13.870   8.614  -2.822
  746   3HG2  VAL  91          3HG2      VAL  91 -15.311   7.896  -3.538
  747    H    ASN  92           H        ASN  92 -17.072   7.573  -2.691
  748    HA   ASN  92           HA       ASN  92 -18.974   5.798  -3.618
  749   1HB   ASN  92          2HB       ASN  92 -17.571   8.008  -5.116
  750   2HB   ASN  92          1HB       ASN  92 -18.985   7.162  -5.748
  751   1HD2  ASN  92          1HD2      ASN  92 -18.157   9.930  -4.108
  752   2HD2  ASN  92          2HD2      ASN  92 -19.592  10.183  -3.239
  753    H    GLN  93           H        GLN  93 -15.761   6.259  -4.916
  754    HA   GLN  93           HA       GLN  93 -15.491   3.518  -5.712
  755   1HB   GLN  93          2HB       GLN  93 -15.506   3.839  -8.175
  756   2HB   GLN  93          1HB       GLN  93 -17.090   4.142  -7.464
  757   1HG   GLN  93          2HG       GLN  93 -16.382   6.613  -7.355
  758   2HG   GLN  93          1HG       GLN  93 -15.066   6.160  -8.439
  759   1HE2  GLN  93          1HE2      GLN  93 -16.190   4.435 -10.238
  760   2HE2  GLN  93          2HE2      GLN  93 -17.499   5.152 -11.047
  761    H    LEU  94           H        LEU  94 -13.868   5.295  -4.294
  762    HA   LEU  94           HA       LEU  94 -11.441   5.280  -5.990
  763   1HB   LEU  94          2HB       LEU  94 -12.551   7.741  -4.615
  764   2HB   LEU  94          1HB       LEU  94 -10.871   7.606  -5.120
  765    HG   LEU  94           HG       LEU  94 -12.154   6.860  -7.426
  766   1HD1  LEU  94          1HD1      LEU  94 -13.797   9.161  -6.364
  767   2HD1  LEU  94          2HD1      LEU  94 -14.336   7.492  -6.189
  768   3HD1  LEU  94          3HD1      LEU  94 -14.090   8.174  -7.796
  769   1HD2  LEU  94          1HD2      LEU  94 -11.392   9.639  -6.482
  770   2HD2  LEU  94          2HD2      LEU  94 -11.729   9.226  -8.164
  771   3HD2  LEU  94          3HD2      LEU  94 -10.359   8.489  -7.331
  772    HA   PRO  95           HA       PRO  95 -10.307   3.821  -1.843
  773   1HB   PRO  95          2HB       PRO  95  -7.902   2.730  -2.518
  774   2HB   PRO  95          1HB       PRO  95  -9.447   1.929  -2.869
  775   1HG   PRO  95          2HG       PRO  95  -7.656   3.463  -4.679
  776   2HG   PRO  95          1HG       PRO  95  -8.614   2.008  -5.002
  777   1HD   PRO  95          2HD       PRO  95  -9.368   4.564  -5.755
  778   2HD   PRO  95          1HD       PRO  95 -10.503   3.217  -5.521
  779    H    ILE  96           H        ILE  96  -9.339   5.114  -0.267
  780    HA   ILE  96           HA       ILE  96  -6.887   6.608  -1.023
  781    HB   ILE  96           HB       ILE  96  -7.797   8.725  -0.166
  782   1HG1  ILE  96          2HG1      ILE  96 -10.409   8.719   0.020
  783   2HG1  ILE  96          1HG1      ILE  96 -10.224   6.988   0.294
  784   1HG2  ILE  96          1HG2      ILE  96  -9.728   7.618  -2.206
  785   2HG2  ILE  96          2HG2      ILE  96  -8.038   7.927  -2.596
  786   3HG2  ILE  96          3HG2      ILE  96  -9.077   9.253  -2.088
  787   1HD1  ILE  96          1HD1      ILE  96 -10.148   8.838   2.283
  788   2HD1  ILE  96          2HD1      ILE  96  -8.431   8.727   1.903
  789   3HD1  ILE  96          3HD1      ILE  96  -9.327   7.285   2.369
  790    H    HIS  97           H        HIS  97  -8.519   4.760   1.348
  791    HA   HIS  97           HA       HIS  97  -6.561   5.811   3.374
  792   1HB   HIS  97          2HB       HIS  97  -9.477   5.398   3.584
  793   2HB   HIS  97          1HB       HIS  97  -8.551   4.723   4.923
  794    HD1  HIS  97           1HD      HIS  97  -6.307   6.812   5.149
  795    HD2  HIS  97           2HD      HIS  97 -10.329   7.814   4.674
  796    HE1  HIS  97           1HE      HIS  97  -6.568   9.175   6.031
  797    HE2  HIS  97           2HE      HIS  97  -9.012   9.793   5.746
  798    H    PHE  98           H        PHE  98  -5.185   4.321   4.116
  799    HA   PHE  98           HA       PHE  98  -5.703   1.453   3.503
  800   1HB   PHE  98          2HB       PHE  98  -3.535   2.269   2.762
  801   2HB   PHE  98          1HB       PHE  98  -3.198   2.942   4.357
  802    HD1  PHE  98           1HD      PHE  98  -1.782   1.687   5.717
  803    HD2  PHE  98           2HD      PHE  98  -4.310  -0.339   2.896
  804    HE1  PHE  98           1HE      PHE  98  -0.834  -0.490   6.430
  805    HE2  PHE  98           2HE      PHE  98  -3.361  -2.516   3.609
  806    HZ   PHE  98           HZ       PHE  98  -1.623  -2.592   5.376
  807    H    ALA  99           H        ALA  99  -6.821   0.496   5.152
  808    HA   ALA  99           HA       ALA  99  -6.860   1.437   7.848
  809   1HB   ALA  99          1HB       ALA  99  -8.289  -0.338   8.261
  810   2HB   ALA  99          2HB       ALA  99  -7.366  -1.448   7.255
  811   3HB   ALA  99          3HB       ALA  99  -8.420  -0.253   6.506
  812    H    GLY 100           H        GLY 100  -5.680  -1.836   7.039
  813   1HA   GLY 100          2HA       GLY 100  -3.021  -1.344   8.086
  814   2HA   GLY 100          1HA       GLY 100  -4.040  -2.162   9.270
  815    H    VAL 101           H        VAL 101  -2.387  -3.921   8.948
  816    HA   VAL 101           HA       VAL 101  -2.602  -5.401   6.395
  817    HB   VAL 101           HB       VAL 101  -0.398  -5.161   7.526
  818   1HG1  VAL 101          1HG1      VAL 101   0.037  -6.200   9.637
  819   2HG1  VAL 101          2HG1      VAL 101  -1.529  -7.014   9.635
  820   3HG1  VAL 101          3HG1      VAL 101  -1.443  -5.266   9.853
  821   1HG2  VAL 101          1HG2      VAL 101  -0.989  -7.148   6.080
  822   2HG2  VAL 101          2HG2      VAL 101  -1.375  -8.031   7.556
  823   3HG2  VAL 101          3HG2      VAL 101   0.272  -7.471   7.269
  824    H    GLY 102           H        GLY 102  -3.248  -7.674   6.383
  825   1HA   GLY 102          2HA       GLY 102  -4.765  -9.390   6.917
  826   2HA   GLY 102          1HA       GLY 102  -4.353  -9.062   8.598
  827    H    SER 103           H        SER 103  -6.984  -9.742   7.855
  828    HA   SER 103           HA       SER 103  -8.738  -7.616   7.296
  829   1HB   SER 103          2HB       SER 103  -9.408  -9.701   9.369
  830   2HB   SER 103          1HB       SER 103 -10.465  -8.965   8.166
  831    HG   SER 103           HG       SER 103  -9.153 -11.215   7.961
  832    H    CYS 104           H        CYS 104  -9.436  -5.859   8.455
  833    HA   CYS 104           HA       CYS 104  -8.064  -5.236  10.946
  834   1HB   CYS 104          2HB       CYS 104 -10.049  -3.821   9.201
  835   2HB   CYS 104          1HB       CYS 104  -9.784  -3.237  10.842
  836    HA   PRO 105           HA       PRO 105 -11.071  -6.873  13.750
  837   1HB   PRO 105          2HB       PRO 105 -10.835  -5.132  15.857
  838   2HB   PRO 105          1HB       PRO 105  -9.617  -6.363  15.470
  839   1HG   PRO 105          2HG       PRO 105  -9.624  -3.447  14.847
  840   2HG   PRO 105          1HG       PRO 105  -8.289  -4.485  15.382
  841   1HD   PRO 105          2HD       PRO 105  -8.615  -3.739  12.774
  842   2HD   PRO 105          1HD       PRO 105  -7.873  -5.284  13.245
  Start of MODEL    6
    1    HN   PCA   1           H        PCA   1  -6.683   8.816   1.054
    2    HA   PCA   1           HA       PCA   1  -8.072  10.907   1.802
    3   1HB   PCA   1          1HB       PCA   1  -6.656  12.265   2.954
    4   2HB   PCA   1          2HB       PCA   1  -6.072  12.801   1.397
    5   1HG   PCA   1          1HG       PCA   1  -4.677  11.457   3.229
    6   2HG   PCA   1          2HG       PCA   1  -4.332  11.493   1.485
    7    H    ASP   2           H        ASP   2  -6.270   9.665  -0.701
    8    HA   ASP   2           HA       ASP   2  -7.979  10.838  -2.683
    9   1HB   ASP   2          2HB       ASP   2  -6.576  12.836  -2.250
   10   2HB   ASP   2          1HB       ASP   2  -5.133  11.893  -2.619
   11    H    TRP   3           H        TRP   3  -8.073   9.264  -4.196
   12    HA   TRP   3           HA       TRP   3  -6.568   6.937  -4.232
   13   1HB   TRP   3          2HB       TRP   3  -8.549   7.002  -5.534
   14   2HB   TRP   3          1HB       TRP   3  -7.996   8.404  -6.441
   15    HD1  TRP   3           HD       TRP   3  -7.925   7.490  -8.810
   16    HE1  TRP   3           1HE      TRP   3  -6.655   5.598 -10.005
   17    HE3  TRP   3           3HE      TRP   3  -5.882   5.074  -4.774
   18    HZ2  TRP   3           2HZ      TRP   3  -5.008   3.368  -9.355
   19    HZ3  TRP   3           3HZ      TRP   3  -4.474   3.073  -5.106
   20    HH2  TRP   3           HH       TRP   3  -4.036   2.214  -7.389
   21    H    GLU   4           H        GLU   4  -5.706  10.055  -5.588
   22    HA   GLU   4           HA       GLU   4  -3.568   9.173  -7.276
   23   1HB   GLU   4          2HB       GLU   4  -4.545  11.482  -7.296
   24   2HB   GLU   4          1HB       GLU   4  -3.756  11.788  -5.748
   25   1HG   GLU   4          2HG       GLU   4  -1.562  11.418  -6.739
   26   2HG   GLU   4          1HG       GLU   4  -2.299  10.960  -8.276
   27    H    THR   5           H        THR   5  -2.930  11.037  -4.301
   28    HA   THR   5           HA       THR   5  -0.349  10.019  -3.888
   29    HB   THR   5           HB       THR   5  -1.422  11.905  -2.611
   30    HG1  THR   5           1HG      THR   5   0.531  10.754  -1.973
   31   1HG2  THR   5          1HG2      THR   5  -3.479  10.421  -2.076
   32   2HG2  THR   5          2HG2      THR   5  -2.885  11.493  -0.809
   33   3HG2  THR   5          3HG2      THR   5  -2.488   9.776  -0.768
   34    H    PHE   6           H        PHE   6  -3.425   8.765  -2.559
   35    HA   PHE   6           HA       PHE   6  -2.412   6.605  -1.087
   36   1HB   PHE   6          2HB       PHE   6  -4.874   7.378  -1.456
   37   2HB   PHE   6          1HB       PHE   6  -4.844   6.293  -2.845
   38    HD1  PHE   6           1HD      PHE   6  -5.064   3.952  -2.569
   39    HD2  PHE   6           2HD      PHE   6  -4.264   6.443   0.837
   40    HE1  PHE   6           1HE      PHE   6  -5.446   2.018  -1.068
   41    HE2  PHE   6           2HE      PHE   6  -4.644   4.510   2.337
   42    HZ   PHE   6           HZ       PHE   6  -5.240   2.298   1.386
   43    H    GLN   7           H        GLN   7  -2.492   7.119  -4.518
   44    HA   GLN   7           HA       GLN   7  -1.859   4.289  -5.097
   45   1HB   GLN   7          2HB       GLN   7  -3.327   5.487  -6.664
   46   2HB   GLN   7          1HB       GLN   7  -2.084   6.701  -6.930
   47   1HG   GLN   7          2HG       GLN   7  -1.486   3.790  -7.409
   48   2HG   GLN   7          1HG       GLN   7  -2.321   4.738  -8.637
   49   1HE2  GLN   7          1HE2      GLN   7  -0.481   7.041  -7.196
   50   2HE2  GLN   7          2HE2      GLN   7   0.938   6.914  -8.116
   51    H    LYS   8           H        LYS   8  -0.283   7.281  -4.450
   52    HA   LYS   8           HA       LYS   8   2.228   6.471  -5.777
   53   1HB   LYS   8          2HB       LYS   8   1.690   8.865  -4.002
   54   2HB   LYS   8          1HB       LYS   8   3.052   8.644  -5.099
   55   1HG   LYS   8          2HG       LYS   8   0.266   8.469  -6.212
   56   2HG   LYS   8          1HG       LYS   8   0.932  10.058  -5.850
   57   1HD   LYS   8          2HD       LYS   8   2.612   8.112  -7.404
   58   2HD   LYS   8          1HD       LYS   8   1.308   8.960  -8.233
   59   1HE   LYS   8          2HE       LYS   8   3.474  10.334  -6.617
   60   2HE   LYS   8          1HE       LYS   8   3.498  10.163  -8.372
   61   1HZ   LYS   8          1HZ       LYS   8   1.037  11.159  -7.913
   62   2HZ   LYS   8          2HZ       LYS   8   2.392  12.086  -8.351
   63   3HZ   LYS   8          3HZ       LYS   8   1.950  11.943  -6.717
   64    H    LYS   9           H        LYS   9   1.215   7.208  -2.402
   65    HA   LYS   9           HA       LYS   9   3.754   6.086  -1.420
   66   1HB   LYS   9          2HB       LYS   9   2.927   6.771   0.803
   67   2HB   LYS   9          1HB       LYS   9   2.854   8.096  -0.357
   68   1HG   LYS   9          2HG       LYS   9   0.415   7.291  -0.784
   69   2HG   LYS   9          1HG       LYS   9   0.595   6.434   0.748
   70   1HD   LYS   9          2HD       LYS   9   1.372   8.666   1.735
   71   2HD   LYS   9          1HD       LYS   9   0.773   9.410   0.252
   72   1HE   LYS   9          2HE       LYS   9  -1.039   9.540   1.793
   73   2HE   LYS   9          1HE       LYS   9  -1.438   8.203   0.716
   74   1HZ   LYS   9          1HZ       LYS   9  -0.155   6.834   2.502
   75   2HZ   LYS   9          2HZ       LYS   9  -1.784   7.253   2.749
   76   3HZ   LYS   9          3HZ       LYS   9  -0.551   8.138   3.512
   77    H    HIS  10           H        HIS  10   0.275   5.312  -0.892
   78    HA   HIS  10           HA       HIS  10   0.905   2.920   0.598
   79   1HB   HIS  10          2HB       HIS  10  -1.599   3.990  -0.681
   80   2HB   HIS  10          1HB       HIS  10  -1.569   2.367   0.002
   81    HD1  HIS  10           1HD      HIS  10  -0.711   2.269   2.602
   82    HD2  HIS  10           2HD      HIS  10  -1.998   5.983   1.204
   83    HE1  HIS  10           1HE      HIS  10  -1.165   3.690   4.652
   84    HE2  HIS  10           2HE      HIS  10  -1.948   5.951   3.812
   85    H    LEU  11           H        LEU  11   0.985   3.554  -2.780
   86    HA   LEU  11           HA       LEU  11   1.067   0.588  -3.280
   87   1HB   LEU  11          2HB       LEU  11  -0.387   2.759  -4.685
   88   2HB   LEU  11          1HB       LEU  11   0.434   1.609  -5.730
   89    HG   LEU  11           HG       LEU  11  -0.696  -0.245  -4.473
   90   1HD1  LEU  11          1HD1      LEU  11  -1.979   2.132  -3.124
   91   2HD1  LEU  11          2HD1      LEU  11  -1.268   0.702  -2.384
   92   3HD1  LEU  11          3HD1      LEU  11  -2.812   0.582  -3.217
   93   1HD2  LEU  11          1HD2      LEU  11  -3.014   0.321  -5.419
   94   2HD2  LEU  11          2HD2      LEU  11  -1.666   0.352  -6.557
   95   3HD2  LEU  11          3HD2      LEU  11  -2.309   1.862  -5.911
   96    H    THR  12           H        THR  12   2.527  -0.075  -4.975
   97    HA   THR  12           HA       THR  12   4.528   1.974  -5.811
   98    HB   THR  12           HB       THR  12   5.573   0.942  -3.896
   99    HG1  THR  12           1HG      THR  12   7.117   1.110  -5.348
  100   1HG2  THR  12          1HG2      THR  12   5.742  -1.798  -4.799
  101   2HG2  THR  12          2HG2      THR  12   4.052  -1.324  -4.644
  102   3HG2  THR  12          3HG2      THR  12   5.140  -1.178  -3.267
  103    H    ASP  13           H        ASP  13   6.240   0.261  -7.205
  104    HA   ASP  13           HA       ASP  13   4.379  -0.938  -9.229
  105   1HB   ASP  13          2HB       ASP  13   7.011   0.502  -9.654
  106   2HB   ASP  13          1HB       ASP  13   6.087  -0.299 -10.925
  107    H    THR  14           H        THR  14   6.072  -2.151  -6.891
  108    HA   THR  14           HA       THR  14   6.830  -4.523  -8.390
  109    HB   THR  14           HB       THR  14   8.768  -3.037  -8.874
  110    HG1  THR  14           1HG      THR  14  10.339  -4.537  -7.875
  111   1HG2  THR  14          1HG2      THR  14   9.252  -3.168  -5.889
  112   2HG2  THR  14          2HG2      THR  14   8.585  -1.761  -6.716
  113   3HG2  THR  14          3HG2      THR  14  10.222  -2.307  -7.082
  114    H    LYS  15           H        LYS  15   7.328  -6.295  -6.997
  115    HA   LYS  15           HA       LYS  15   6.217  -6.058  -4.320
  116   1HB   LYS  15          2HB       LYS  15   7.070  -8.483  -4.161
  117   2HB   LYS  15          1HB       LYS  15   5.853  -8.151  -5.395
  118   1HG   LYS  15          2HG       LYS  15   7.498  -8.084  -7.134
  119   2HG   LYS  15          1HG       LYS  15   8.822  -8.057  -5.971
  120   1HD   LYS  15          2HD       LYS  15   8.767 -10.300  -6.714
  121   2HD   LYS  15          1HD       LYS  15   7.915 -10.345  -5.171
  122   1HE   LYS  15          2HE       LYS  15   6.709 -11.605  -6.945
  123   2HE   LYS  15          1HE       LYS  15   5.757 -10.256  -6.327
  124   1HZ   LYS  15          1HZ       LYS  15   6.369 -10.727  -8.942
  125   2HZ   LYS  15          2HZ       LYS  15   7.446  -9.491  -8.502
  126   3HZ   LYS  15          3HZ       LYS  15   5.773  -9.273  -8.304
  127    H    LYS  16           H        LYS  16   9.325  -5.691  -5.721
  128    HA   LYS  16           HA       LYS  16  10.613  -5.814  -3.019
  129   1HB   LYS  16          2HB       LYS  16  12.758  -6.044  -4.346
  130   2HB   LYS  16          1HB       LYS  16  11.657  -7.414  -4.494
  131   1HG   LYS  16          2HG       LYS  16  10.743  -6.290  -6.595
  132   2HG   LYS  16          1HG       LYS  16  12.111  -5.183  -6.489
  133   1HD   LYS  16          2HD       LYS  16  13.595  -7.267  -6.391
  134   2HD   LYS  16          1HD       LYS  16  12.167  -8.176  -6.886
  135   1HE   LYS  16          2HE       LYS  16  13.424  -7.607  -8.879
  136   2HE   LYS  16          1HE       LYS  16  11.952  -6.636  -8.860
  137   1HZ   LYS  16          1HZ       LYS  16  13.321  -4.867  -7.760
  138   2HZ   LYS  16          2HZ       LYS  16  13.713  -5.183  -9.382
  139   3HZ   LYS  16          3HZ       LYS  16  14.696  -5.787  -8.133
  140    H    VAL  17           H        VAL  17   9.342  -3.540  -3.243
  141    HA   VAL  17           HA       VAL  17  10.320  -1.434  -4.811
  142    HB   VAL  17           HB       VAL  17   9.608   0.080  -2.999
  143   1HG1  VAL  17          1HG1      VAL  17   7.323  -0.483  -3.078
  144   2HG1  VAL  17          2HG1      VAL  17   7.666  -2.211  -3.117
  145   3HG1  VAL  17          3HG1      VAL  17   7.997  -1.219  -4.531
  146   1HG2  VAL  17          1HG2      VAL  17   8.640  -1.084  -0.927
  147   2HG2  VAL  17          2HG2      VAL  17  10.399  -1.019  -1.035
  148   3HG2  VAL  17          3HG2      VAL  17   9.546  -2.510  -1.435
  149    H    LYS  18           H        LYS  18  11.666   0.407  -4.020
  150    HA   LYS  18           HA       LYS  18  14.162  -0.670  -2.818
  151   1HB   LYS  18          2HB       LYS  18  15.025   1.662  -3.622
  152   2HB   LYS  18          1HB       LYS  18  14.699   0.430  -4.841
  153   1HG   LYS  18          2HG       LYS  18  12.520   1.392  -5.311
  154   2HG   LYS  18          1HG       LYS  18  12.703   2.545  -3.989
  155   1HD   LYS  18          2HD       LYS  18  13.213   3.634  -6.128
  156   2HD   LYS  18          1HD       LYS  18  14.668   3.531  -5.138
  157   1HE   LYS  18          2HE       LYS  18  14.067   1.306  -7.063
  158   2HE   LYS  18          1HE       LYS  18  14.744   2.813  -7.680
  159   1HZ   LYS  18          1HZ       LYS  18  16.722   2.171  -6.969
  160   2HZ   LYS  18          2HZ       LYS  18  16.065   0.728  -6.359
  161   3HZ   LYS  18          3HZ       LYS  18  16.152   2.109  -5.373
  162    H    CYS  19           H        CYS  19  12.705  -0.607  -0.800
  163    HA   CYS  19           HA       CYS  19  11.618   1.450   0.542
  164   1HB   CYS  19          2HB       CYS  19  13.631  -0.542   1.590
  165   2HB   CYS  19          1HB       CYS  19  12.769   0.574   2.651
  166    H    ASP  20           H        ASP  20  15.137   1.062   0.145
  167    HA   ASP  20           HA       ASP  20  16.144   3.081   1.748
  168   1HB   ASP  20          2HB       ASP  20  17.471   1.583   0.209
  169   2HB   ASP  20          1HB       ASP  20  17.016   2.647  -1.121
  170    H    VAL  21           H        VAL  21  14.594   3.451  -1.414
  171    HA   VAL  21           HA       VAL  21  14.689   6.415  -1.080
  172    HB   VAL  21           HB       VAL  21  13.727   4.975  -3.544
  173   1HG1  VAL  21          1HG1      VAL  21  14.707   7.020  -4.616
  174   2HG1  VAL  21          2HG1      VAL  21  15.082   7.634  -3.007
  175   3HG1  VAL  21          3HG1      VAL  21  13.404   7.382  -3.486
  176   1HG2  VAL  21          1HG2      VAL  21  16.582   5.450  -2.661
  177   2HG2  VAL  21          2HG2      VAL  21  16.137   5.179  -4.346
  178   3HG2  VAL  21          3HG2      VAL  21  15.844   3.923  -3.143
  179    H    GLU  22           H        GLU  22  12.507   3.655  -1.442
  180    HA   GLU  22           HA       GLU  22  10.072   5.064  -1.792
  181   1HB   GLU  22          2HB       GLU  22  10.791   2.404  -1.412
  182   2HB   GLU  22          1HB       GLU  22   9.840   2.767   0.027
  183   1HG   GLU  22          2HG       GLU  22   8.258   2.035  -1.590
  184   2HG   GLU  22          1HG       GLU  22   8.110   3.793  -1.569
  185    H    MET  23           H        MET  23  12.269   5.346   0.672
  186    HA   MET  23           HA       MET  23  10.217   6.533   2.489
  187   1HB   MET  23          2HB       MET  23  12.569   4.825   3.359
  188   2HB   MET  23          1HB       MET  23  11.432   5.638   4.433
  189   1HG   MET  23          2HG       MET  23   9.590   4.300   3.569
  190   2HG   MET  23          1HG       MET  23  10.653   3.553   2.377
  191   1HE   MET  23          1HE       MET  23  10.478   3.070   6.875
  192   2HE   MET  23          2HE       MET  23  10.016   4.441   5.870
  193   3HE   MET  23          3HE       MET  23  11.700   4.232   6.340
  194    H    ALA  24           H        ALA  24  13.711   6.294   1.735
  195    HA   ALA  24           HA       ALA  24  14.302   8.773   3.139
  196   1HB   ALA  24          1HB       ALA  24  15.900   6.781   2.577
  197   2HB   ALA  24          2HB       ALA  24  16.534   8.425   2.514
  198   3HB   ALA  24          3HB       ALA  24  16.089   7.595   1.023
  199    H    LYS  25           H        LYS  25  12.594   8.271   0.402
  200    HA   LYS  25           HA       LYS  25  13.704  10.084  -1.489
  201   1HB   LYS  25          2HB       LYS  25  11.304  10.285  -2.307
  202   2HB   LYS  25          1HB       LYS  25  11.937   8.646  -2.213
  203   1HG   LYS  25          2HG       LYS  25  10.911   8.648   0.196
  204   2HG   LYS  25          1HG       LYS  25   9.958  10.004  -0.401
  205   1HD   LYS  25          2HD       LYS  25  10.094   7.234  -1.608
  206   2HD   LYS  25          1HD       LYS  25   8.722   7.932  -0.756
  207   1HE   LYS  25          2HE       LYS  25   8.879   9.821  -2.553
  208   2HE   LYS  25          1HE       LYS  25   9.822   8.644  -3.466
  209   1HZ   LYS  25          1HZ       LYS  25   7.238   8.749  -3.692
  210   2HZ   LYS  25          2HZ       LYS  25   7.276   7.794  -2.288
  211   3HZ   LYS  25          3HZ       LYS  25   8.045   7.258  -3.704
  212    H    ALA  26           H        ALA  26  10.891  11.607  -1.349
  213    HA   ALA  26           HA       ALA  26  11.872  13.689   0.573
  214   1HB   ALA  26          1HB       ALA  26  12.025  14.291  -1.871
  215   2HB   ALA  26          2HB       ALA  26  11.028  15.385  -0.912
  216   3HB   ALA  26          3HB       ALA  26  10.267  14.177  -1.945
  217    H    LEU  27           H        LEU  27   9.133  11.784  -0.491
  218    HA   LEU  27           HA       LEU  27   7.225  13.453   0.996
  219   1HB   LEU  27          2HB       LEU  27   5.547  12.195   0.006
  220   2HB   LEU  27          1HB       LEU  27   6.833  12.016  -1.180
  221    HG   LEU  27           HG       LEU  27   7.494   9.900   0.232
  222   1HD1  LEU  27          1HD1      LEU  27   4.901   9.069   0.854
  223   2HD1  LEU  27          2HD1      LEU  27   4.958  10.719   1.466
  224   3HD1  LEU  27          3HD1      LEU  27   6.140   9.535   2.013
  225   1HD2  LEU  27          1HD2      LEU  27   6.620   9.918  -2.108
  226   2HD2  LEU  27          2HD2      LEU  27   4.978   9.906  -1.467
  227   3HD2  LEU  27          3HD2      LEU  27   6.044   8.530  -1.185
  228    H    PHE  28           H        PHE  28   9.454  11.123   1.901
  229    HA   PHE  28           HA       PHE  28   7.800  10.398   4.297
  230   1HB   PHE  28          2HB       PHE  28   9.601   8.773   2.566
  231   2HB   PHE  28          1HB       PHE  28   9.670   8.447   4.293
  232    HD1  PHE  28           1HD      PHE  28   7.121   8.532   5.391
  233    HD2  PHE  28           2HD      PHE  28   8.160   7.380   1.385
  234    HE1  PHE  28           1HE      PHE  28   5.028   7.215   5.224
  235    HE2  PHE  28           2HE      PHE  28   6.067   6.065   1.219
  236    HZ   PHE  28           HZ       PHE  28   4.500   5.982   3.139
  237    H    ASP  29           H        ASP  29  11.175  10.824   3.186
  238    HA   ASP  29           HA       ASP  29  12.855  12.141   4.219
  239   1HB   ASP  29          2HB       ASP  29  10.780  13.223   5.471
  240   2HB   ASP  29          1HB       ASP  29  11.367  12.253   6.822
  241    H    CYS  30           H        CYS  30  12.671   9.283   4.174
  242    HA   CYS  30           HA       CYS  30  13.703   7.410   5.124
  243   1HB   CYS  30          2HB       CYS  30  15.663   8.932   4.982
  244   2HB   CYS  30          1HB       CYS  30  15.297   9.525   6.600
  245    H    LYS  31           H        LYS  31  11.520   7.161   6.299
  246    HA   LYS  31           HA       LYS  31  11.497   7.864   9.143
  247   1HB   LYS  31          2HB       LYS  31   9.684   5.901   7.719
  248   2HB   LYS  31          1HB       LYS  31   9.353   6.768   9.214
  249   1HG   LYS  31          2HG       LYS  31   9.693   8.015   6.474
  250   2HG   LYS  31          1HG       LYS  31   8.166   7.800   7.320
  251   1HD   LYS  31          2HD       LYS  31  10.480   9.571   8.154
  252   2HD   LYS  31          1HD       LYS  31   8.879  10.085   7.633
  253   1HE   LYS  31          2HE       LYS  31   8.038   8.622   9.640
  254   2HE   LYS  31          1HE       LYS  31   9.691   8.806  10.228
  255   1HZ   LYS  31          1HZ       LYS  31   7.569  10.746  10.070
  256   2HZ   LYS  31          2HZ       LYS  31   9.058  11.311   9.476
  257   3HZ   LYS  31          3HZ       LYS  31   8.943  10.718  11.064
  258    H    LYS  32           H        LYS  32  10.193   5.037   9.505
  259    HA   LYS  32           HA       LYS  32  12.709   3.443   9.713
  260   1HB   LYS  32          2HB       LYS  32  12.136   2.777  11.999
  261   2HB   LYS  32          1HB       LYS  32  12.283   4.532  11.909
  262   1HG   LYS  32          2HG       LYS  32   9.778   4.630  11.568
  263   2HG   LYS  32          1HG       LYS  32   9.728   2.905  11.936
  264   1HD   LYS  32          2HD       LYS  32  10.872   5.032  13.773
  265   2HD   LYS  32          1HD       LYS  32   9.271   4.311  13.943
  266   1HE   LYS  32          2HE       LYS  32  10.544   2.039  13.945
  267   2HE   LYS  32          1HE       LYS  32  11.968   3.015  14.304
  268   1HZ   LYS  32          1HZ       LYS  32   9.900   3.898  15.949
  269   2HZ   LYS  32          2HZ       LYS  32  11.324   3.090  16.403
  270   3HZ   LYS  32          3HZ       LYS  32   9.919   2.205  16.046
  271    H    THR  33           H        THR  33   9.197   3.569   9.555
  272    HA   THR  33           HA       THR  33   9.212   0.712   8.667
  273    HB   THR  33           HB       THR  33   8.316   0.909  10.999
  274    HG1  THR  33           1HG      THR  33   7.477  -0.718   9.766
  275   1HG2  THR  33          1HG2      THR  33   7.401   3.260  10.541
  276   2HG2  THR  33          2HG2      THR  33   6.362   2.178  11.469
  277   3HG2  THR  33          3HG2      THR  33   6.040   2.457   9.758
  278    H    ASN  34           H        ASN  34   7.956   0.341   6.839
  279    HA   ASN  34           HA       ASN  34   6.033   2.417   5.973
  280   1HB   ASN  34          2HB       ASN  34   8.458   2.888   5.106
  281   2HB   ASN  34          1HB       ASN  34   8.140   1.547   4.008
  282   1HD2  ASN  34          1HD2      ASN  34   5.610   1.835   3.132
  283   2HD2  ASN  34          2HD2      ASN  34   5.331   3.369   2.460
  284    H    THR  35           H        THR  35   4.539   1.630   4.420
  285    HA   THR  35           HA       THR  35   4.804  -1.226   3.617
  286    HB   THR  35           HB       THR  35   2.387  -0.010   4.988
  287    HG1  THR  35           1HG      THR  35   3.476  -0.697   6.642
  288   1HG2  THR  35          1HG2      THR  35   2.849  -2.696   3.677
  289   2HG2  THR  35          2HG2      THR  35   1.605  -1.508   3.286
  290   3HG2  THR  35          3HG2      THR  35   1.532  -2.392   4.811
  291    H    PHE  36           H        PHE  36   3.544  -1.759   1.738
  292    HA   PHE  36           HA       PHE  36   2.002   0.397   0.432
  293   1HB   PHE  36          2HB       PHE  36   4.048  -0.804  -1.366
  294   2HB   PHE  36          1HB       PHE  36   3.381   0.820  -1.365
  295    HD1  PHE  36           1HD      PHE  36   4.809   2.550  -0.760
  296    HD2  PHE  36           2HD      PHE  36   5.488  -1.371   0.839
  297    HE1  PHE  36           1HE      PHE  36   6.855   3.368   0.372
  298    HE2  PHE  36           2HE      PHE  36   7.528  -0.557   1.977
  299    HZ   PHE  36           HZ       PHE  36   8.217   1.813   1.737
  300    H    ILE  37           H        ILE  37   1.342  -0.618  -1.914
  301    HA   ILE  37           HA       ILE  37   0.769  -3.520  -1.459
  302    HB   ILE  37           HB       ILE  37  -1.116  -1.524  -2.723
  303   1HG1  ILE  37          2HG1      ILE  37  -1.549  -2.800  -0.028
  304   2HG1  ILE  37          1HG1      ILE  37  -0.582  -1.333  -0.148
  305   1HG2  ILE  37          1HG2      ILE  37  -1.524  -3.749  -3.522
  306   2HG2  ILE  37          2HG2      ILE  37  -2.746  -3.420  -2.292
  307   3HG2  ILE  37          3HG2      ILE  37  -1.349  -4.425  -1.902
  308   1HD1  ILE  37          1HD1      ILE  37  -3.328  -1.401   0.077
  309   2HD1  ILE  37          2HD1      ILE  37  -3.103  -1.180  -1.657
  310   3HD1  ILE  37          3HD1      ILE  37  -2.395  -0.032  -0.520
  311    H    TYR  38           H        TYR  38   1.175  -4.840  -3.172
  312    HA   TYR  38           HA       TYR  38   2.260  -3.544  -5.623
  313   1HB   TYR  38          2HB       TYR  38   3.617  -5.322  -4.615
  314   2HB   TYR  38          1HB       TYR  38   2.258  -6.440  -4.722
  315    HD1  TYR  38           1HD      TYR  38   4.050  -4.038  -6.994
  316    HD2  TYR  38           2HD      TYR  38   2.315  -7.938  -6.500
  317    HE1  TYR  38           1HE      TYR  38   4.701  -4.623  -9.314
  318    HE2  TYR  38           2HE      TYR  38   2.969  -8.522  -8.819
  319    HH   TYR  38           HH       TYR  38   5.168  -6.709 -10.620
  320    H    ALA  39           H        ALA  39   0.436  -2.929  -6.815
  321    HA   ALA  39           HA       ALA  39  -1.034  -5.119  -8.103
  322   1HB   ALA  39          1HB       ALA  39  -2.303  -4.643  -5.970
  323   2HB   ALA  39          2HB       ALA  39  -3.244  -4.405  -7.442
  324   3HB   ALA  39          3HB       ALA  39  -2.591  -3.012  -6.578
  325    H    LEU  40           H        LEU  40  -2.180  -4.371 -10.008
  326    HA   LEU  40           HA       LEU  40  -0.991  -1.942 -11.124
  327   1HB   LEU  40          2HB       LEU  40  -1.569  -2.775 -13.193
  328   2HB   LEU  40          1HB       LEU  40  -1.508  -4.272 -12.269
  329    HG   LEU  40           HG       LEU  40  -4.076  -3.659 -11.814
  330   1HD1  LEU  40          1HD1      LEU  40  -3.629  -1.524 -13.253
  331   2HD1  LEU  40          2HD1      LEU  40  -5.098  -2.448 -13.541
  332   3HD1  LEU  40          3HD1      LEU  40  -3.720  -2.629 -14.621
  333   1HD2  LEU  40          1HD2      LEU  40  -3.369  -5.743 -12.825
  334   2HD2  LEU  40          2HD2      LEU  40  -2.924  -4.919 -14.320
  335   3HD2  LEU  40          3HD2      LEU  40  -4.619  -5.041 -13.853
  336    HA   PRO  41           HA       PRO  41  -4.062   1.023 -10.042
  337   1HB   PRO  41          2HB       PRO  41  -4.213   1.747 -12.928
  338   2HB   PRO  41          1HB       PRO  41  -3.891   2.775 -11.521
  339   1HG   PRO  41          2HG       PRO  41  -1.974   1.963 -13.247
  340   2HG   PRO  41          1HG       PRO  41  -1.667   2.333 -11.544
  341   1HD   PRO  41          2HD       PRO  41  -1.656  -0.285 -12.904
  342   2HD   PRO  41          1HD       PRO  41  -0.947   0.181 -11.343
  343    H    GLY  42           H        GLY  42  -4.892  -0.301 -13.275
  344   1HA   GLY  42          2HA       GLY  42  -7.651   0.077 -13.183
  345   2HA   GLY  42          1HA       GLY  42  -6.911  -1.291 -14.011
  346    H    ARG  43           H        ARG  43  -5.894  -2.767 -11.928
  347    HA   ARG  43           HA       ARG  43  -8.171  -4.139 -10.931
  348   1HB   ARG  43          2HB       ARG  43  -5.828  -5.068 -11.208
  349   2HB   ARG  43          1HB       ARG  43  -5.391  -4.200  -9.738
  350   1HG   ARG  43          2HG       ARG  43  -5.974  -6.265  -8.849
  351   2HG   ARG  43          1HG       ARG  43  -7.521  -5.427  -8.751
  352   1HD   ARG  43          2HD       ARG  43  -8.229  -6.439 -10.874
  353   2HD   ARG  43          1HD       ARG  43  -6.665  -7.238 -11.030
  354    HE   ARG  43           HE       ARG  43  -7.528  -8.158  -8.605
  355   1HH1  ARG  43          1HH2      ARG  43  -8.991  -7.843 -11.711
  356   2HH1  ARG  43          2HH2      ARG  43 -10.035  -9.209 -11.505
  357   1HH2  ARG  43          1HH1      ARG  43  -8.882  -9.944  -8.317
  358   2HH2  ARG  43          2HH1      ARG  43  -9.973 -10.399  -9.583
  359    H    VAL  44           H        VAL  44  -6.281  -1.478  -9.611
  360    HA   VAL  44           HA       VAL  44  -7.357  -1.737  -6.922
  361    HB   VAL  44           HB       VAL  44  -6.050   0.651  -8.260
  362   1HG1  VAL  44          1HG1      VAL  44  -7.099   1.474  -6.320
  363   2HG1  VAL  44          2HG1      VAL  44  -5.479   1.072  -5.751
  364   3HG1  VAL  44          3HG1      VAL  44  -6.822  -0.019  -5.424
  365   1HG2  VAL  44          1HG2      VAL  44  -4.775  -1.618  -8.085
  366   2HG2  VAL  44          2HG2      VAL  44  -4.734  -1.286  -6.355
  367   3HG2  VAL  44          3HG2      VAL  44  -3.976  -0.166  -7.487
  368    H    LYS  45           H        LYS  45  -7.902   0.725  -9.488
  369    HA   LYS  45           HA       LYS  45 -10.170   1.881  -8.157
  370   1HB   LYS  45          2HB       LYS  45 -10.155   1.966 -11.128
  371   2HB   LYS  45          1HB       LYS  45 -10.273   3.287  -9.966
  372   1HG   LYS  45          2HG       LYS  45  -7.759   2.688  -9.456
  373   2HG   LYS  45          1HG       LYS  45  -7.820   1.931 -11.048
  374   1HD   LYS  45          2HD       LYS  45  -8.447   4.816 -10.392
  375   2HD   LYS  45          1HD       LYS  45  -7.060   4.217 -11.301
  376   1HE   LYS  45          2HE       LYS  45  -8.741   3.204 -12.936
  377   2HE   LYS  45          1HE       LYS  45  -9.971   4.167 -12.118
  378   1HZ   LYS  45          1HZ       LYS  45  -7.831   5.856 -12.621
  379   2HZ   LYS  45          2HZ       LYS  45  -9.358   5.871 -13.366
  380   3HZ   LYS  45          3HZ       LYS  45  -8.084   4.981 -14.052
  381    H    ALA  46           H        ALA  46  -9.719  -0.994  -9.967
  382    HA   ALA  46           HA       ALA  46 -12.562  -1.337 -10.639
  383   1HB   ALA  46          1HB       ALA  46 -11.796  -3.536 -11.515
  384   2HB   ALA  46          2HB       ALA  46 -10.189  -3.214 -10.871
  385   3HB   ALA  46          3HB       ALA  46 -10.836  -2.207 -12.165
  386    H    LEU  47           H        LEU  47 -10.402  -2.086  -8.040
  387    HA   LEU  47           HA       LEU  47 -11.966  -4.316  -6.998
  388   1HB   LEU  47          2HB       LEU  47  -9.586  -2.741  -6.115
  389   2HB   LEU  47          1HB       LEU  47 -10.505  -3.569  -4.860
  390    HG   LEU  47           HG       LEU  47  -9.713  -5.052  -7.361
  391   1HD1  LEU  47          1HD1      LEU  47  -7.648  -4.000  -6.461
  392   2HD1  LEU  47          2HD1      LEU  47  -7.633  -5.751  -6.262
  393   3HD1  LEU  47          3HD1      LEU  47  -7.992  -4.710  -4.885
  394   1HD2  LEU  47          1HD2      LEU  47  -9.884  -6.044  -4.510
  395   2HD2  LEU  47          2HD2      LEU  47 -10.012  -6.974  -6.003
  396   3HD2  LEU  47          3HD2      LEU  47 -11.325  -5.904  -5.516
  397    H    CYS  48           H        CYS  48 -12.640  -1.080  -7.208
  398    HA   CYS  48           HA       CYS  48 -14.324  -1.189  -4.732
  399   1HB   CYS  48          2HB       CYS  48 -12.350   0.484  -4.733
  400   2HB   CYS  48          1HB       CYS  48 -13.294   1.391  -5.913
  401    H    LYS  49           H        LYS  49 -14.396  -1.279  -8.013
  402    HA   LYS  49           HA       LYS  49 -16.436   0.607  -8.688
  403   1HB   LYS  49          2HB       LYS  49 -16.715  -0.679 -10.714
  404   2HB   LYS  49          1HB       LYS  49 -14.996  -0.672 -10.318
  405   1HG   LYS  49          2HG       LYS  49 -15.436  -2.882  -9.084
  406   2HG   LYS  49          1HG       LYS  49 -16.990  -2.907  -9.919
  407   1HD   LYS  49          2HD       LYS  49 -15.704  -2.617 -12.090
  408   2HD   LYS  49          1HD       LYS  49 -14.231  -2.908 -11.164
  409   1HE   LYS  49          2HE       LYS  49 -16.524  -4.793 -11.692
  410   2HE   LYS  49          1HE       LYS  49 -14.801  -5.050 -11.968
  411   1HZ   LYS  49          1HZ       LYS  49 -15.414  -6.250 -10.031
  412   2HZ   LYS  49          2HZ       LYS  49 -16.204  -4.905  -9.358
  413   3HZ   LYS  49          3HZ       LYS  49 -14.512  -4.909  -9.516
  414    H    ASN  50           H        ASN  50 -18.690   0.390  -8.742
  415    HA   ASN  50           HA       ASN  50 -20.803  -0.536  -8.288
  416   1HB   ASN  50          2HB       ASN  50 -19.479  -2.731  -9.026
  417   2HB   ASN  50          1HB       ASN  50 -19.631  -3.114  -7.311
  418   1HD2  ASN  50          1HD2      ASN  50 -22.248  -1.454  -7.293
  419   2HD2  ASN  50          2HD2      ASN  50 -23.396  -2.513  -7.956
  420    H    ILE  51           H        ILE  51 -18.270  -0.139  -6.108
  421    HA   ILE  51           HA       ILE  51 -19.711  -0.989  -3.710
  422    HB   ILE  51           HB       ILE  51 -17.248   0.751  -4.040
  423   1HG1  ILE  51          2HG1      ILE  51 -16.866  -1.514  -4.858
  424   2HG1  ILE  51          1HG1      ILE  51 -16.060  -1.323  -3.302
  425   1HG2  ILE  51          1HG2      ILE  51 -18.027   1.269  -1.893
  426   2HG2  ILE  51          2HG2      ILE  51 -16.933  -0.078  -1.587
  427   3HG2  ILE  51          3HG2      ILE  51 -18.673  -0.352  -1.632
  428   1HD1  ILE  51          1HD1      ILE  51 -18.512  -2.908  -3.978
  429   2HD1  ILE  51          2HD1      ILE  51 -18.349  -2.251  -2.349
  430   3HD1  ILE  51          3HD1      ILE  51 -17.131  -3.356  -2.980
  431    H    ARG  52           H        ARG  52 -19.931   0.777  -1.919
  432    HA   ARG  52           HA       ARG  52 -21.592   2.937  -3.092
  433   1HB   ARG  52          2HB       ARG  52 -21.263   2.119  -0.191
  434   2HB   ARG  52          1HB       ARG  52 -22.494   3.200  -0.843
  435   1HG   ARG  52          2HG       ARG  52 -22.165   0.308  -1.690
  436   2HG   ARG  52          1HG       ARG  52 -23.306   0.847  -0.460
  437   1HD   ARG  52          2HD       ARG  52 -24.130   2.511  -2.302
  438   2HD   ARG  52          1HD       ARG  52 -23.315   1.414  -3.416
  439    HE   ARG  52           HE       ARG  52 -24.847  -0.307  -1.943
  440   1HH1  ARG  52          1HH2      ARG  52 -25.445   2.696  -3.529
  441   2HH1  ARG  52          2HH2      ARG  52 -27.102   2.331  -3.881
  442   1HH2  ARG  52          1HH1      ARG  52 -27.007  -0.799  -2.393
  443   2HH2  ARG  52          2HH1      ARG  52 -27.986   0.354  -3.238
  444    H    ASP  53           H        ASP  53 -21.413   4.746  -0.923
  445    HA   ASP  53           HA       ASP  53 -19.114   6.295  -1.681
  446   1HB   ASP  53          2HB       ASP  53 -20.738   6.633   0.843
  447   2HB   ASP  53          1HB       ASP  53 -19.850   7.873  -0.046
  448    H    ASN  54           H        ASN  54 -18.573   7.152   1.077
  449    HA   ASN  54           HA       ASN  54 -16.189   5.645   1.515
  450   1HB   ASN  54          2HB       ASN  54 -16.165   6.858   3.745
  451   2HB   ASN  54          1HB       ASN  54 -16.283   7.900   2.326
  452   1HD2  ASN  54          1HD2      ASN  54 -19.226   6.315   2.618
  453   2HD2  ASN  54          2HD2      ASN  54 -20.076   7.492   3.497
  454    H    THR  55           H        THR  55 -16.131   3.589   2.199
  455    HA   THR  55           HA       THR  55 -17.646   2.810   4.605
  456    HB   THR  55           HB       THR  55 -17.816   0.877   2.329
  457    HG1  THR  55           1HG      THR  55 -19.420   3.195   2.613
  458   1HG2  THR  55          1HG2      THR  55 -19.940   0.332   3.420
  459   2HG2  THR  55          2HG2      THR  55 -19.751   1.705   4.510
  460   3HG2  THR  55          3HG2      THR  55 -18.637   0.342   4.608
  461    H    ASP  56           H        ASP  56 -16.841   0.649   5.401
  462    HA   ASP  56           HA       ASP  56 -13.938   0.444   4.842
  463   1HB   ASP  56          2HB       ASP  56 -15.478  -1.128   6.909
  464   2HB   ASP  56          1HB       ASP  56 -13.764  -0.715   6.902
  465    H    VAL  57           H        VAL  57 -13.338  -0.956   3.271
  466    HA   VAL  57           HA       VAL  57 -14.936  -3.464   2.912
  467    HB   VAL  57           HB       VAL  57 -13.847  -3.537   0.637
  468   1HG1  VAL  57          1HG1      VAL  57 -15.571  -1.180   1.433
  469   2HG1  VAL  57          2HG1      VAL  57 -16.093  -2.721   0.752
  470   3HG1  VAL  57          3HG1      VAL  57 -15.208  -1.569  -0.248
  471   1HG2  VAL  57          1HG2      VAL  57 -11.947  -1.998   1.368
  472   2HG2  VAL  57          2HG2      VAL  57 -13.095  -0.666   1.229
  473   3HG2  VAL  57          3HG2      VAL  57 -12.676  -1.621  -0.192
  474    H    LEU  58           H        LEU  58 -13.328  -5.224   1.868
  475    HA   LEU  58           HA       LEU  58 -10.633  -5.159   3.039
  476   1HB   LEU  58          2HB       LEU  58 -11.868  -5.795   5.004
  477   2HB   LEU  58          1HB       LEU  58 -12.840  -6.944   4.097
  478    HG   LEU  58           HG       LEU  58 -10.908  -8.387   3.757
  479   1HD1  LEU  58          1HD1      LEU  58  -8.754  -7.767   4.950
  480   2HD1  LEU  58          2HD1      LEU  58  -9.413  -6.149   5.136
  481   3HD1  LEU  58          3HD1      LEU  58  -9.117  -6.799   3.529
  482   1HD2  LEU  58          1HD2      LEU  58 -10.384  -8.894   6.155
  483   2HD2  LEU  58          2HD2      LEU  58 -12.109  -8.692   5.849
  484   3HD2  LEU  58          3HD2      LEU  58 -11.190  -7.391   6.605
  485    H    SER  59           H        SER  59  -9.260  -6.631   1.945
  486    HA   SER  59           HA       SER  59 -10.081  -7.606  -0.573
  487   1HB   SER  59          2HB       SER  59  -7.779  -7.580  -0.421
  488   2HB   SER  59          1HB       SER  59  -7.776  -8.170   1.235
  489    HG   SER  59           HG       SER  59  -8.754  -9.838  -0.787
  490    H    ARG  60           H        ARG  60 -10.652  -9.719  -1.309
  491    HA   ARG  60           HA       ARG  60 -12.215 -11.232   0.683
  492   1HB   ARG  60          2HB       ARG  60 -12.930 -10.608  -1.749
  493   2HB   ARG  60          1HB       ARG  60 -11.935 -11.985  -2.223
  494   1HG   ARG  60          2HG       ARG  60 -13.233 -13.457  -0.746
  495   2HG   ARG  60          1HG       ARG  60 -14.205 -12.086  -0.212
  496   1HD   ARG  60          2HD       ARG  60 -14.018 -13.093  -3.067
  497   2HD   ARG  60          1HD       ARG  60 -15.368 -13.384  -1.970
  498    HE   ARG  60           HE       ARG  60 -14.810 -10.886  -3.380
  499   1HH1  ARG  60          1HH2      ARG  60 -16.261 -12.440  -0.666
  500   2HH1  ARG  60          2HH2      ARG  60 -17.428 -11.188  -0.404
  501   1HH2  ARG  60          1HH1      ARG  60 -16.325  -9.240  -3.052
  502   2HH2  ARG  60          2HH1      ARG  60 -17.464  -9.377  -1.754
  503    H    ASP  61           H        ASP  61  -9.051 -11.279  -0.070
  504    HA   ASP  61           HA       ASP  61  -8.748 -14.037   0.848
  505   1HB   ASP  61          2HB       ASP  61  -8.045 -13.241  -1.983
  506   2HB   ASP  61          1HB       ASP  61  -7.266 -14.603  -1.177
  507    H    ALA  62           H        ALA  62  -6.365 -12.459  -1.197
  508    HA   ALA  62           HA       ALA  62  -5.011 -11.241   1.097
  509   1HB   ALA  62          1HB       ALA  62  -4.202 -13.435   1.488
  510   2HB   ALA  62          2HB       ALA  62  -2.905 -12.632   0.605
  511   3HB   ALA  62          3HB       ALA  62  -3.983 -13.745  -0.234
  512    H    PHE  63           H        PHE  63  -2.797 -10.367   0.343
  513    HA   PHE  63           HA       PHE  63  -2.594  -9.871  -2.553
  514   1HB   PHE  63          2HB       PHE  63  -3.431  -7.789  -0.550
  515   2HB   PHE  63          1HB       PHE  63  -2.419  -7.308  -1.911
  516    HD1  PHE  63           1HD      PHE  63  -5.678  -8.781  -0.944
  517    HD2  PHE  63           2HD      PHE  63  -3.268  -7.274  -4.164
  518    HE1  PHE  63           1HE      PHE  63  -7.667  -8.769  -2.428
  519    HE2  PHE  63           2HE      PHE  63  -5.256  -7.261  -5.648
  520    HZ   PHE  63           HZ       PHE  63  -7.455  -8.008  -4.779
  521    H    LEU  64           H        LEU  64  -0.461  -9.529  -3.109
  522    HA   LEU  64           HA       LEU  64   1.543  -9.862  -1.009
  523   1HB   LEU  64          2HB       LEU  64   1.592 -10.822  -3.410
  524   2HB   LEU  64          1HB       LEU  64   2.099  -9.210  -3.906
  525    HG   LEU  64           HG       LEU  64   3.521 -10.714  -1.698
  526   1HD1  LEU  64          1HD1      LEU  64   4.091 -10.760  -4.677
  527   2HD1  LEU  64          2HD1      LEU  64   3.602 -12.134  -3.685
  528   3HD1  LEU  64          3HD1      LEU  64   5.178 -11.382  -3.434
  529   1HD2  LEU  64          1HD2      LEU  64   5.409  -9.203  -2.682
  530   2HD2  LEU  64          2HD2      LEU  64   4.175  -8.448  -1.678
  531   3HD2  LEU  64          3HD2      LEU  64   4.091  -8.308  -3.434
  532    H    LEU  65           H        LEU  65   2.099  -8.086   0.200
  533    HA   LEU  65           HA       LEU  65   2.425  -5.508  -1.275
  534   1HB   LEU  65          2HB       LEU  65   2.176  -4.930   1.483
  535   2HB   LEU  65          1HB       LEU  65   1.041  -4.547   0.205
  536    HG   LEU  65           HG       LEU  65   1.029  -7.281   1.442
  537   1HD1  LEU  65          1HD1      LEU  65  -0.226  -4.726   2.483
  538   2HD1  LEU  65          2HD1      LEU  65   0.903  -5.780   3.333
  539   3HD1  LEU  65          3HD1      LEU  65  -0.736  -6.336   2.990
  540   1HD2  LEU  65          1HD2      LEU  65  -0.285  -6.850  -0.618
  541   2HD2  LEU  65          2HD2      LEU  65  -1.071  -5.485   0.168
  542   3HD2  LEU  65          3HD2      LEU  65  -1.356  -7.123   0.754
  543    HA   PRO  66           HA       PRO  66   6.635  -5.837   0.211
  544   1HB   PRO  66          2HB       PRO  66   7.485  -3.364  -0.591
  545   2HB   PRO  66          1HB       PRO  66   7.276  -4.725  -1.708
  546   1HG   PRO  66          2HG       PRO  66   5.538  -2.373  -1.258
  547   2HG   PRO  66          1HG       PRO  66   5.847  -3.282  -2.742
  548   1HD   PRO  66          2HD       PRO  66   3.564  -3.538  -1.187
  549   2HD   PRO  66          1HD       PRO  66   4.152  -4.752  -2.346
  550    H    GLN  67           H        GLN  67   7.851  -4.955   2.045
  551    HA   GLN  67           HA       GLN  67   6.593  -2.677   3.468
  552   1HB   GLN  67          2HB       GLN  67   5.609  -4.938   4.241
  553   2HB   GLN  67          1HB       GLN  67   7.189  -5.224   4.973
  554   1HG   GLN  67          2HG       GLN  67   6.918  -2.926   6.082
  555   2HG   GLN  67          1HG       GLN  67   5.226  -3.011   5.591
  556   1HE2  GLN  67          1HE2      GLN  67   4.095  -5.173   6.284
  557   2HE2  GLN  67          2HE2      GLN  67   4.499  -5.774   7.818
  558    H    CYS  68           H        CYS  68   8.103  -1.391   4.392
  559    HA   CYS  68           HA       CYS  68  10.933  -2.294   4.304
  560   1HB   CYS  68          2HB       CYS  68   9.868   0.430   5.079
  561   2HB   CYS  68          1HB       CYS  68  11.505   0.024   4.562
  562    H    ASP  69           H        ASP  69  12.051  -2.826   6.144
  563    HA   ASP  69           HA       ASP  69  10.820  -2.098   8.782
  564   1HB   ASP  69          2HB       ASP  69  10.477  -4.517   8.163
  565   2HB   ASP  69          1HB       ASP  69  12.231  -4.706   8.162
  566    H    ARG  70           H        ARG  70  12.215  -0.748   9.803
  567    HA   ARG  70           HA       ARG  70  15.038  -0.622   9.097
  568   1HB   ARG  70          2HB       ARG  70  13.568   1.309   9.934
  569   2HB   ARG  70          1HB       ARG  70  13.758   0.612  11.541
  570   1HG   ARG  70          2HG       ARG  70  16.283   0.666  11.097
  571   2HG   ARG  70          1HG       ARG  70  15.911   1.695   9.715
  572   1HD   ARG  70          2HD       ARG  70  16.080   3.399  11.219
  573   2HD   ARG  70          1HD       ARG  70  14.457   2.915  11.703
  574    HE   ARG  70           HE       ARG  70  16.963   2.306  13.163
  575   1HH1  ARG  70          1HH2      ARG  70  13.550   1.926  12.766
  576   2HH1  ARG  70          2HH2      ARG  70  13.297   1.362  14.382
  577   1HH2  ARG  70          1HH1      ARG  70  16.640   1.568  15.268
  578   2HH2  ARG  70          2HH1      ARG  70  15.042   1.158  15.796
  579    H    ILE  71           H        ILE  71  16.736  -1.620  10.126
  580    HA   ILE  71           HA       ILE  71  16.291  -2.851  12.788
  581    HB   ILE  71           HB       ILE  71  17.394  -4.465  10.475
  582   1HG1  ILE  71          2HG1      ILE  71  14.604  -4.396  11.667
  583   2HG1  ILE  71          1HG1      ILE  71  15.052  -4.036   9.999
  584   1HG2  ILE  71          1HG2      ILE  71  18.030  -4.995  12.889
  585   2HG2  ILE  71          2HG2      ILE  71  17.274  -6.311  11.992
  586   3HG2  ILE  71          3HG2      ILE  71  16.331  -5.380  13.155
  587   1HD1  ILE  71          1HD1      ILE  71  15.981  -6.418   9.888
  588   2HD1  ILE  71          2HD1      ILE  71  14.225  -6.272   9.965
  589   3HD1  ILE  71          3HD1      ILE  71  15.137  -6.709  11.409
  590    H    LYS  72           H        LYS  72  18.530  -2.103  10.135
  591    HA   LYS  72           HA       LYS  72  20.688  -1.778  12.191
  592   1HB   LYS  72          2HB       LYS  72  22.248  -2.430  10.231
  593   2HB   LYS  72          1HB       LYS  72  21.342  -3.723  11.019
  594   1HG   LYS  72          2HG       LYS  72  19.721  -3.791   9.264
  595   2HG   LYS  72          1HG       LYS  72  20.308  -2.279   8.571
  596   1HD   LYS  72          2HD       LYS  72  21.120  -4.190   7.257
  597   2HD   LYS  72          1HD       LYS  72  22.468  -3.369   8.043
  598   1HE   LYS  72          2HE       LYS  72  22.711  -5.063   9.667
  599   2HE   LYS  72          1HE       LYS  72  21.097  -5.707   9.366
  600   1HZ   LYS  72          1HZ       LYS  72  21.979  -6.176   7.034
  601   2HZ   LYS  72          2HZ       LYS  72  22.503  -7.187   8.295
  602   3HZ   LYS  72          3HZ       LYS  72  23.522  -5.962   7.704
  603    H    LEU  73           H        LEU  73  22.543  -0.406  11.171
  604    HA   LEU  73           HA       LEU  73  23.146   1.754  10.495
  605   1HB   LEU  73          2HB       LEU  73  21.237   1.455   8.189
  606   2HB   LEU  73          1HB       LEU  73  22.868   2.122   8.202
  607    HG   LEU  73           HG       LEU  73  22.129  -0.802   8.489
  608   1HD1  LEU  73          1HD1      LEU  73  22.002  -0.206   6.195
  609   2HD1  LEU  73          2HD1      LEU  73  23.617  -0.887   6.392
  610   3HD1  LEU  73          3HD1      LEU  73  23.401   0.861   6.313
  611   1HD2  LEU  73          1HD2      LEU  73  24.689  -1.031   8.354
  612   2HD2  LEU  73          2HD2      LEU  73  24.030  -0.461   9.887
  613   3HD2  LEU  73          3HD2      LEU  73  24.750   0.686   8.756
  614    HA   PRO  74           HA       PRO  74  19.846   4.534  11.571
  615   1HB   PRO  74          2HB       PRO  74  20.668   6.897  10.529
  616   2HB   PRO  74          1HB       PRO  74  21.561   6.067  11.817
  617   1HG   PRO  74          2HG       PRO  74  22.242   6.383   8.976
  618   2HG   PRO  74          1HG       PRO  74  23.294   6.055  10.360
  619   1HD   PRO  74          2HD       PRO  74  22.255   4.166   8.434
  620   2HD   PRO  74          1HD       PRO  74  23.333   3.840   9.808
  621    H    CYS  75           H        CYS  75  20.559   4.705   8.091
  622    HA   CYS  75           HA       CYS  75  17.657   5.286   7.618
  623   1HB   CYS  75          2HB       CYS  75  19.280   7.202   7.132
  624   2HB   CYS  75          1HB       CYS  75  19.909   6.202   5.823
  625    H    HIS  76           H        HIS  76  18.092   2.724   7.714
  626    HA   HIS  76           HA       HIS  76  18.144   1.865   4.870
  627   1HB   HIS  76          2HB       HIS  76  20.426   1.497   5.998
  628   2HB   HIS  76          1HB       HIS  76  19.611   0.294   6.999
  629    HD1  HIS  76           1HD      HIS  76  18.356  -1.679   5.615
  630    HD2  HIS  76           2HD      HIS  76  21.152   0.563   3.480
  631    HE1  HIS  76           1HE      HIS  76  18.913  -3.018   3.536
  632    HE2  HIS  76           2HE      HIS  76  20.614  -1.662   2.230
  633    H    TYR  77           H        TYR  77  16.891  -0.070   4.523
  634    HA   TYR  77           HA       TYR  77  15.372  -1.055   6.896
  635   1HB   TYR  77          2HB       TYR  77  13.946  -0.590   4.294
  636   2HB   TYR  77          1HB       TYR  77  13.286  -0.666   5.928
  637    HD1  TYR  77           1HD      TYR  77  13.669   1.228   7.520
  638    HD2  TYR  77           2HD      TYR  77  14.787   1.460   3.379
  639    HE1  TYR  77           1HE      TYR  77  13.849   3.695   7.704
  640    HE2  TYR  77           2HE      TYR  77  14.963   3.927   3.565
  641    HH   TYR  77           HH       TYR  77  13.834   5.641   6.355
  642    H    LYS  78           H        LYS  78  14.184  -3.104   6.373
  643    HA   LYS  78           HA       LYS  78  15.804  -4.758   4.483
  644   1HB   LYS  78          2HB       LYS  78  15.817  -5.444   6.881
  645   2HB   LYS  78          1HB       LYS  78  14.067  -5.634   6.816
  646   1HG   LYS  78          2HG       LYS  78  15.508  -7.057   4.660
  647   2HG   LYS  78          1HG       LYS  78  15.879  -7.642   6.281
  648   1HD   LYS  78          2HD       LYS  78  13.533  -8.021   6.749
  649   2HD   LYS  78          1HD       LYS  78  13.063  -7.263   5.227
  650   1HE   LYS  78          2HE       LYS  78  12.997  -9.672   4.932
  651   2HE   LYS  78          1HE       LYS  78  14.359  -9.035   4.012
  652   1HZ   LYS  78          1HZ       LYS  78  14.390 -10.486   6.583
  653   2HZ   LYS  78          2HZ       LYS  78  15.697  -9.508   6.115
  654   3HZ   LYS  78          3HZ       LYS  78  15.239 -10.835   5.158
  655    H    LEU  79           H        LEU  79  14.686  -6.139   3.021
  656    HA   LEU  79           HA       LEU  79  12.042  -5.144   2.235
  657   1HB   LEU  79          2HB       LEU  79  13.610  -5.617   0.458
  658   2HB   LEU  79          1HB       LEU  79  13.886  -7.247   1.067
  659    HG   LEU  79           HG       LEU  79  11.620  -7.907   0.516
  660   1HD1  LEU  79          1HD1      LEU  79  11.274  -4.955  -0.011
  661   2HD1  LEU  79          2HD1      LEU  79  10.292  -6.014   1.000
  662   3HD1  LEU  79          3HD1      LEU  79  10.203  -6.141  -0.755
  663   1HD2  LEU  79          1HD2      LEU  79  12.719  -6.276  -1.793
  664   2HD2  LEU  79          2HD2      LEU  79  11.701  -7.712  -1.898
  665   3HD2  LEU  79          3HD2      LEU  79  13.358  -7.847  -1.307
  666    H    SER  80           H        SER  80  10.189  -6.016   2.984
  667    HA   SER  80           HA       SER  80  10.086  -8.925   3.585
  668   1HB   SER  80          2HB       SER  80  10.456  -8.161   5.779
  669   2HB   SER  80          1HB       SER  80   9.551  -6.674   5.515
  670    HG   SER  80           HG       SER  80   7.659  -7.958   5.388
  671    H    SER  81           H        SER  81   8.440  -9.615   2.310
  672    HA   SER  81           HA       SER  81   5.938  -7.976   2.231
  673   1HB   SER  81          2HB       SER  81   5.824  -8.018  -0.080
  674   2HB   SER  81          1HB       SER  81   7.573  -7.971   0.121
  675    HG   SER  81           HG       SER  81   7.554  -9.791  -0.919
  676    H    SER  82           H        SER  82   4.017  -9.275   1.702
  677    HA   SER  82           HA       SER  82   4.200 -12.175   1.615
  678   1HB   SER  82          2HB       SER  82   3.009 -10.989   4.132
  679   2HB   SER  82          1HB       SER  82   3.289 -12.690   3.774
  680    HG   SER  82           HG       SER  82   5.228 -12.438   4.517
  681    H    THR  83           H        THR  83   1.966 -13.143   1.669
  682    HA   THR  83           HA       THR  83   0.084 -11.244   0.396
  683    HB   THR  83           HB       THR  83  -0.941 -13.749   0.019
  684    HG1  THR  83           1HG      THR  83   1.489 -14.522  -0.613
  685   1HG2  THR  83          1HG2      THR  83   0.195 -13.647  -2.197
  686   2HG2  THR  83          2HG2      THR  83   1.207 -12.342  -1.579
  687   3HG2  THR  83          3HG2      THR  83  -0.534 -12.108  -1.740
  688    H    ASN  84           H        ASN  84  -1.559 -10.518   1.640
  689    HA   ASN  84           HA       ASN  84  -3.042 -12.353   3.373
  690   1HB   ASN  84          2HB       ASN  84  -1.235 -11.764   4.900
  691   2HB   ASN  84          1HB       ASN  84  -1.470 -10.048   4.563
  692   1HD2  ASN  84          1HD2      ASN  84  -1.969  -9.690   6.880
  693   2HD2  ASN  84          2HD2      ASN  84  -3.481 -10.139   7.508
  694    H    THR  85           H        THR  85  -5.076 -11.386   4.080
  695    HA   THR  85           HA       THR  85  -6.178  -9.529   2.217
  696    HB   THR  85           HB       THR  85  -7.538  -9.728   4.833
  697    HG1  THR  85           1HG      THR  85  -6.422 -11.936   3.586
  698   1HG2  THR  85          1HG2      THR  85  -9.302 -10.727   3.272
  699   2HG2  THR  85          2HG2      THR  85  -8.195 -10.356   1.955
  700   3HG2  THR  85          3HG2      THR  85  -8.833  -9.058   2.965
  701    H    ILE  86           H        ILE  86  -7.057  -7.337   2.805
  702    HA   ILE  86           HA       ILE  86  -5.729  -6.044   5.105
  703    HB   ILE  86           HB       ILE  86  -4.251  -4.759   3.930
  704   1HG1  ILE  86          2HG1      ILE  86  -4.755  -3.943   1.554
  705   2HG1  ILE  86          1HG1      ILE  86  -6.370  -4.608   1.766
  706   1HG2  ILE  86          1HG2      ILE  86  -3.466  -5.820   1.822
  707   2HG2  ILE  86          2HG2      ILE  86  -4.903  -6.839   1.823
  708   3HG2  ILE  86          3HG2      ILE  86  -3.713  -6.989   3.117
  709   1HD1  ILE  86          1HD1      ILE  86  -5.709  -3.031   4.083
  710   2HD1  ILE  86          2HD1      ILE  86  -6.987  -2.772   2.904
  711   3HD1  ILE  86          3HD1      ILE  86  -5.394  -2.083   2.631
  712    H    CYS  87           H        CYS  87  -7.095  -4.603   6.027
  713    HA   CYS  87           HA       CYS  87  -9.675  -4.066   4.748
  714   1HB   CYS  87          2HB       CYS  87  -8.482  -3.734   7.449
  715   2HB   CYS  87          1HB       CYS  87  -9.730  -2.565   7.010
  716    H    ILE  88           H        ILE  88 -10.221  -2.220   3.706
  717    HA   ILE  88           HA       ILE  88  -8.586   0.211   4.087
  718    HB   ILE  88           HB       ILE  88  -7.356  -0.562   2.274
  719   1HG1  ILE  88          2HG1      ILE  88  -9.665   0.489   0.655
  720   2HG1  ILE  88          1HG1      ILE  88  -8.793   1.560   1.746
  721   1HG2  ILE  88          1HG2      ILE  88  -9.032  -2.594   2.078
  722   2HG2  ILE  88          2HG2      ILE  88  -8.042  -2.137   0.698
  723   3HG2  ILE  88          3HG2      ILE  88  -9.728  -1.636   0.775
  724   1HD1  ILE  88          1HD1      ILE  88  -7.638   1.823  -0.292
  725   2HD1  ILE  88          2HD1      ILE  88  -7.755   0.108  -0.682
  726   3HD1  ILE  88          3HD1      ILE  88  -6.649   0.653   0.577
  727    H    THR  89           H        THR  89  -9.755   2.113   3.572
  728    HA   THR  89           HA       THR  89 -12.676   1.670   3.219
  729    HB   THR  89           HB       THR  89 -10.991   3.745   4.510
  730    HG1  THR  89           1HG      THR  89 -13.151   2.174   4.990
  731   1HG2  THR  89          1HG2      THR  89 -12.943   5.385   4.338
  732   2HG2  THR  89          2HG2      THR  89 -13.523   4.407   2.991
  733   3HG2  THR  89          3HG2      THR  89 -11.957   5.211   2.886
  734    H    CYS  90           H        CYS  90 -13.790   2.534   1.473
  735    HA   CYS  90           HA       CYS  90 -12.242   4.083  -0.550
  736   1HB   CYS  90          2HB       CYS  90 -12.112   1.727  -1.227
  737   2HB   CYS  90          1HB       CYS  90 -13.863   1.578  -1.093
  738    H    VAL  91           H        VAL  91 -13.644   5.227  -2.074
  739    HA   VAL  91           HA       VAL  91 -16.223   5.961  -0.826
  740    HB   VAL  91           HB       VAL  91 -14.422   7.639  -1.581
  741   1HG1  VAL  91          1HG1      VAL  91 -15.643   7.584  -4.297
  742   2HG1  VAL  91          2HG1      VAL  91 -14.470   6.316  -3.940
  743   3HG1  VAL  91          3HG1      VAL  91 -14.007   8.010  -3.800
  744   1HG2  VAL  91          1HG2      VAL  91 -17.365   7.741  -2.096
  745   2HG2  VAL  91          2HG2      VAL  91 -16.387   9.058  -2.742
  746   3HG2  VAL  91          3HG2      VAL  91 -16.378   8.718  -1.013
  747    H    ASN  92           H        ASN  92 -17.098   6.946  -3.581
  748    HA   ASN  92           HA       ASN  92 -18.894   4.934  -4.253
  749   1HB   ASN  92          2HB       ASN  92 -18.767   7.345  -5.129
  750   2HB   ASN  92          1HB       ASN  92 -17.661   6.709  -6.348
  751   1HD2  ASN  92          1HD2      ASN  92 -20.750   7.602  -6.201
  752   2HD2  ASN  92          2HD2      ASN  92 -21.491   6.413  -7.159
  753    H    GLN  93           H        GLN  93 -15.609   5.306  -5.331
  754    HA   GLN  93           HA       GLN  93 -15.257   2.537  -5.904
  755   1HB   GLN  93          2HB       GLN  93 -15.038   2.805  -8.446
  756   2HB   GLN  93          1HB       GLN  93 -16.679   2.759  -7.801
  757   1HG   GLN  93          2HG       GLN  93 -16.901   5.140  -7.948
  758   2HG   GLN  93          1HG       GLN  93 -15.179   5.344  -8.276
  759   1HE2  GLN  93          1HE2      GLN  93 -16.406   2.588  -9.876
  760   2HE2  GLN  93          2HE2      GLN  93 -16.630   3.285 -11.408
  761    H    LEU  94           H        LEU  94 -13.766   4.533  -4.595
  762    HA   LEU  94           HA       LEU  94 -11.234   4.412  -6.146
  763   1HB   LEU  94          2HB       LEU  94 -12.697   6.905  -5.353
  764   2HB   LEU  94          1HB       LEU  94 -10.937   6.914  -5.281
  765    HG   LEU  94           HG       LEU  94 -12.283   5.871  -7.758
  766   1HD1  LEU  94          1HD1      LEU  94 -12.191   8.218  -8.666
  767   2HD1  LEU  94          2HD1      LEU  94 -11.915   8.785  -7.019
  768   3HD1  LEU  94          3HD1      LEU  94 -13.426   7.974  -7.432
  769   1HD2  LEU  94          1HD2      LEU  94 -10.242   6.445  -8.789
  770   2HD2  LEU  94          2HD2      LEU  94  -9.741   5.864  -7.202
  771   3HD2  LEU  94          3HD2      LEU  94  -9.824   7.595  -7.520
  772    HA   PRO  95           HA       PRO  95 -10.525   3.266  -1.742
  773   1HB   PRO  95          2HB       PRO  95  -7.927   2.346  -2.808
  774   2HB   PRO  95          1HB       PRO  95  -9.158   1.442  -1.910
  775   1HG   PRO  95          2HG       PRO  95  -8.686   1.070  -4.541
  776   2HG   PRO  95          1HG       PRO  95 -10.271   0.821  -3.792
  777   1HD   PRO  95          2HD       PRO  95  -9.336   3.076  -5.512
  778   2HD   PRO  95          1HD       PRO  95 -10.960   2.371  -5.349
  779    H    ILE  96           H        ILE  96  -9.453   4.529  -0.174
  780    HA   ILE  96           HA       ILE  96  -7.079   6.075  -1.022
  781    HB   ILE  96           HB       ILE  96  -8.065   8.211  -0.218
  782   1HG1  ILE  96          2HG1      ILE  96 -10.722   8.055  -0.257
  783   2HG1  ILE  96          1HG1      ILE  96 -10.420   6.386   0.217
  784   1HG2  ILE  96          1HG2      ILE  96  -9.275   8.654  -2.219
  785   2HG2  ILE  96          2HG2      ILE  96  -9.804   6.978  -2.358
  786   3HG2  ILE  96          3HG2      ILE  96  -8.117   7.395  -2.638
  787   1HD1  ILE  96          1HD1      ILE  96  -8.735   7.968   1.854
  788   2HD1  ILE  96          2HD1      ILE  96 -10.188   7.099   2.335
  789   3HD1  ILE  96          3HD1      ILE  96 -10.298   8.780   1.825
  790    H    HIS  97           H        HIS  97  -8.626   4.278   1.402
  791    HA   HIS  97           HA       HIS  97  -6.725   5.462   3.401
  792   1HB   HIS  97          2HB       HIS  97  -9.641   5.236   3.555
  793   2HB   HIS  97          1HB       HIS  97  -8.836   4.494   4.936
  794    HD1  HIS  97           1HD      HIS  97  -6.435   6.383   5.259
  795    HD2  HIS  97           2HD      HIS  97 -10.327   7.726   4.590
  796    HE1  HIS  97           1HE      HIS  97  -6.530   8.765   6.119
  797    HE2  HIS  97           2HE      HIS  97  -8.894   9.592   5.716
  798    H    PHE  98           H        PHE  98  -5.264   3.942   3.883
  799    HA   PHE  98           HA       PHE  98  -5.872   1.073   3.591
  800   1HB   PHE  98          2HB       PHE  98  -3.645   2.151   2.973
  801   2HB   PHE  98          1HB       PHE  98  -3.361   2.376   4.696
  802    HD1  PHE  98           1HD      PHE  98  -3.667  -0.083   1.974
  803    HD2  PHE  98           2HD      PHE  98  -2.952   0.474   6.172
  804    HE1  PHE  98           1HE      PHE  98  -2.828  -2.410   2.139
  805    HE2  PHE  98           2HE      PHE  98  -2.114  -1.854   6.337
  806    HZ   PHE  98           HZ       PHE  98  -2.051  -3.297   4.322
  807    H    ALA  99           H        ALA  99  -7.121   0.270   5.266
  808    HA   ALA  99           HA       ALA  99  -7.224   1.314   7.904
  809   1HB   ALA  99          1HB       ALA  99  -8.754  -0.442   6.686
  810   2HB   ALA  99          2HB       ALA  99  -8.554  -0.533   8.435
  811   3HB   ALA  99          3HB       ALA  99  -7.641  -1.617   7.387
  812    H    GLY 100           H        GLY 100  -5.793  -1.869   7.106
  813   1HA   GLY 100          2HA       GLY 100  -3.244  -1.286   8.300
  814   2HA   GLY 100          1HA       GLY 100  -4.277  -2.121   9.462
  815    H    VAL 101           H        VAL 101  -2.512  -3.810   9.201
  816    HA   VAL 101           HA       VAL 101  -2.559  -5.322   6.675
  817    HB   VAL 101           HB       VAL 101  -1.179  -5.938   9.307
  818   1HG1  VAL 101          1HG1      VAL 101  -1.444  -7.931   7.933
  819   2HG1  VAL 101          2HG1      VAL 101   0.235  -7.398   7.843
  820   3HG1  VAL 101          3HG1      VAL 101  -0.868  -7.066   6.508
  821   1HG2  VAL 101          1HG2      VAL 101   0.845  -5.096   8.074
  822   2HG2  VAL 101          2HG2      VAL 101  -0.355  -3.842   8.388
  823   3HG2  VAL 101          3HG2      VAL 101  -0.225  -4.554   6.780
  824    H    GLY 102           H        GLY 102  -3.621  -7.270   6.372
  825   1HA   GLY 102          2HA       GLY 102  -4.972  -9.138   6.885
  826   2HA   GLY 102          1HA       GLY 102  -4.724  -8.792   8.596
  827    H    SER 103           H        SER 103  -7.079  -9.260   8.778
  828    HA   SER 103           HA       SER 103  -8.969  -7.425   7.527
  829   1HB   SER 103          2HB       SER 103  -9.463  -9.227   9.909
  830   2HB   SER 103          1HB       SER 103 -10.655  -8.593   8.778
  831    HG   SER 103           HG       SER 103  -9.301 -10.846   8.614
  832    H    CYS 104           H        CYS 104 -10.403  -6.006   8.863
  833    HA   CYS 104           HA       CYS 104  -8.779  -4.575  10.895
  834   1HB   CYS 104          2HB       CYS 104 -10.834  -2.938  10.643
  835   2HB   CYS 104          1HB       CYS 104  -9.613  -3.009   9.373
  836    HA   PRO 105           HA       PRO 105 -11.198  -6.136  14.255
  837   1HB   PRO 105          2HB       PRO 105 -11.146  -4.006  15.984
  838   2HB   PRO 105          1HB       PRO 105  -9.749  -5.061  15.694
  839   1HG   PRO 105          2HG       PRO 105 -10.348  -2.367  14.569
  840   2HG   PRO 105          1HG       PRO 105  -8.807  -3.037  15.133
  841   1HD   PRO 105          2HD       PRO 105  -9.454  -2.876  12.485
  842   2HD   PRO 105          1HD       PRO 105  -8.408  -4.156  13.140
  Start of MODEL    7
    1    HN   PCA   1           H        PCA   1  -6.368   9.169   1.217
    2    HA   PCA   1           HA       PCA   1  -7.867  11.203   1.946
    3   1HB   PCA   1          1HB       PCA   1  -6.506  12.668   3.034
    4   2HB   PCA   1          2HB       PCA   1  -5.967  13.180   1.452
    5   1HG   PCA   1          1HG       PCA   1  -4.482  11.974   3.303
    6   2HG   PCA   1          2HG       PCA   1  -4.169  11.950   1.553
    7    H    ASP   2           H        ASP   2  -6.057   9.960  -0.542
    8    HA   ASP   2           HA       ASP   2  -7.833  11.096  -2.520
    9   1HB   ASP   2          2HB       ASP   2  -5.085  12.246  -2.160
   10   2HB   ASP   2          1HB       ASP   2  -5.701  12.056  -3.803
   11    H    TRP   3           H        TRP   3  -7.961   9.610  -4.151
   12    HA   TRP   3           HA       TRP   3  -6.578   7.151  -4.026
   13   1HB   TRP   3          2HB       TRP   3  -8.558   7.058  -5.235
   14   2HB   TRP   3          1HB       TRP   3  -8.213   8.538  -6.120
   15    HD1  TRP   3           HD       TRP   3  -8.128   7.859  -8.548
   16    HE1  TRP   3           1HE      TRP   3  -6.889   6.072  -9.929
   17    HE3  TRP   3           3HE      TRP   3  -5.940   5.171  -4.782
   18    HZ2  TRP   3           2HZ      TRP   3  -5.207   3.806  -9.502
   19    HZ3  TRP   3           3HZ      TRP   3  -4.531   3.206  -5.304
   20    HH2  TRP   3           HH       TRP   3  -4.161   2.520  -7.657
   21    H    GLU   4           H        GLU   4  -5.753  10.140  -5.698
   22    HA   GLU   4           HA       GLU   4  -3.703   9.086  -7.388
   23   1HB   GLU   4          2HB       GLU   4  -3.884  11.814  -6.066
   24   2HB   GLU   4          1HB       GLU   4  -2.812  11.401  -7.404
   25   1HG   GLU   4          2HG       GLU   4  -5.822  11.091  -7.532
   26   2HG   GLU   4          1HG       GLU   4  -4.970  12.529  -8.098
   27    H    THR   5           H        THR   5  -2.942  11.112  -4.545
   28    HA   THR   5           HA       THR   5  -0.342  10.142  -4.173
   29    HB   THR   5           HB       THR   5  -1.307  12.065  -2.938
   30    HG1  THR   5           1HG      THR   5   0.561  11.031  -2.157
   31   1HG2  THR   5          1HG2      THR   5  -2.542  10.102  -1.027
   32   2HG2  THR   5          2HG2      THR   5  -3.454  10.668  -2.426
   33   3HG2  THR   5          3HG2      THR   5  -2.883  11.821  -1.221
   34    H    PHE   6           H        PHE   6  -3.346   8.921  -2.642
   35    HA   PHE   6           HA       PHE   6  -2.249   6.837  -1.135
   36   1HB   PHE   6          2HB       PHE   6  -4.693   7.473  -1.273
   37   2HB   PHE   6          1HB       PHE   6  -4.767   6.602  -2.804
   38    HD1  PHE   6           1HD      PHE   6  -3.890   6.199   0.802
   39    HD2  PHE   6           2HD      PHE   6  -5.047   4.257  -2.848
   40    HE1  PHE   6           1HE      PHE   6  -4.177   4.067   2.026
   41    HE2  PHE   6           2HE      PHE   6  -5.339   2.122  -1.623
   42    HZ   PHE   6           HZ       PHE   6  -4.906   2.027   0.816
   43    H    GLN   7           H        GLN   7  -2.459   7.189  -4.581
   44    HA   GLN   7           HA       GLN   7  -1.822   4.345  -5.065
   45   1HB   GLN   7          2HB       GLN   7  -3.359   5.676  -6.579
   46   2HB   GLN   7          1HB       GLN   7  -1.953   6.614  -7.073
   47   1HG   GLN   7          2HG       GLN   7  -1.906   3.606  -7.233
   48   2HG   GLN   7          1HG       GLN   7  -2.654   4.557  -8.514
   49   1HE2  GLN   7          1HE2      GLN   7  -0.959   6.763  -8.711
   50   2HE2  GLN   7          2HE2      GLN   7   0.604   6.258  -9.143
   51    H    LYS   8           H        LYS   8  -0.237   7.374  -4.625
   52    HA   LYS   8           HA       LYS   8   2.206   6.541  -6.046
   53   1HB   LYS   8          2HB       LYS   8   1.750   8.966  -4.293
   54   2HB   LYS   8          1HB       LYS   8   3.054   8.730  -5.457
   55   1HG   LYS   8          2HG       LYS   8   0.206   8.525  -6.405
   56   2HG   LYS   8          1HG       LYS   8   0.905  10.119  -6.135
   57   1HD   LYS   8          2HD       LYS   8   2.773   9.571  -7.645
   58   2HD   LYS   8          1HD       LYS   8   2.093   7.964  -7.908
   59   1HE   LYS   8          2HE       LYS   8   1.474   9.484  -9.749
   60   2HE   LYS   8          1HE       LYS   8   0.046   8.985  -8.842
   61   1HZ   LYS   8          1HZ       LYS   8  -0.347  11.066  -8.223
   62   2HZ   LYS   8          2HZ       LYS   8   0.812  11.553  -9.367
   63   3HZ   LYS   8          3HZ       LYS   8   1.259  11.324  -7.743
   64    H    LYS   9           H        LYS   9   1.346   7.256  -2.622
   65    HA   LYS   9           HA       LYS   9   3.978   6.221  -1.793
   66   1HB   LYS   9          2HB       LYS   9   3.009   6.775   0.541
   67   2HB   LYS   9          1HB       LYS   9   3.360   8.112  -0.552
   68   1HG   LYS   9          2HG       LYS   9   1.102   8.494  -1.030
   69   2HG   LYS   9          1HG       LYS   9   0.624   6.862  -0.565
   70   1HD   LYS   9          2HD       LYS   9   0.797   7.337   1.742
   71   2HD   LYS   9          1HD       LYS   9   1.769   8.781   1.462
   72   1HE   LYS   9          2HE       LYS   9  -1.019   8.639   0.348
   73   2HE   LYS   9          1HE       LYS   9  -0.779   9.037   2.049
   74   1HZ   LYS   9          1HZ       LYS   9   0.351  10.465  -0.293
   75   2HZ   LYS   9          2HZ       LYS   9   0.787  10.786   1.318
   76   3HZ   LYS   9          3HZ       LYS   9  -0.809  11.049   0.798
   77    H    HIS  10           H        HIS  10   0.548   5.267  -1.279
   78    HA   HIS  10           HA       HIS  10   1.389   2.932   0.271
   79   1HB   HIS  10          2HB       HIS  10  -1.328   3.604  -0.879
   80   2HB   HIS  10          1HB       HIS  10  -0.988   2.354   0.316
   81    HD1  HIS  10           1HD      HIS  10  -2.199   5.672   0.195
   82    HD2  HIS  10           2HD      HIS  10   0.555   3.732   2.652
   83    HE1  HIS  10           1HE      HIS  10  -2.014   7.065   2.304
   84    HE2  HIS  10           2HE      HIS  10  -0.340   5.894   3.806
   85    H    LEU  11           H        LEU  11   1.225   3.530  -3.086
   86    HA   LEU  11           HA       LEU  11   1.135   0.563  -3.559
   87   1HB   LEU  11          2HB       LEU  11  -0.283   2.794  -4.918
   88   2HB   LEU  11          1HB       LEU  11   0.389   1.558  -5.974
   89    HG   LEU  11           HG       LEU  11  -0.765  -0.179  -4.584
   90   1HD1  LEU  11          1HD1      LEU  11  -2.749   0.875  -3.231
   91   2HD1  LEU  11          2HD1      LEU  11  -1.723   2.307  -3.182
   92   3HD1  LEU  11          3HD1      LEU  11  -1.156   0.792  -2.491
   93   1HD2  LEU  11          1HD2      LEU  11  -1.739   0.735  -6.685
   94   2HD2  LEU  11          2HD2      LEU  11  -2.594   1.947  -5.730
   95   3HD2  LEU  11          3HD2      LEU  11  -2.972   0.237  -5.528
   96    H    THR  12           H        THR  12   2.545  -0.246  -5.167
   97    HA   THR  12           HA       THR  12   4.530   1.702  -6.266
   98    HB   THR  12           HB       THR  12   5.721   0.760  -4.418
   99    HG1  THR  12           1HG      THR  12   7.133   0.661  -5.994
  100   1HG2  THR  12          1HG2      THR  12   4.059  -1.550  -4.960
  101   2HG2  THR  12          2HG2      THR  12   5.018  -1.192  -3.526
  102   3HG2  THR  12          3HG2      THR  12   5.755  -2.027  -4.890
  103    H    ASP  13           H        ASP  13   6.088  -0.028  -7.720
  104    HA   ASP  13           HA       ASP  13   4.091  -1.366  -9.511
  105   1HB   ASP  13          2HB       ASP  13   5.121   0.735 -10.429
  106   2HB   ASP  13          1HB       ASP  13   6.693  -0.060 -10.345
  107    H    THR  14           H        THR  14   6.301  -2.229  -7.296
  108    HA   THR  14           HA       THR  14   7.001  -4.667  -8.847
  109    HB   THR  14           HB       THR  14   8.904  -3.059  -9.095
  110    HG1  THR  14           1HG      THR  14  10.455  -4.573  -8.408
  111   1HG2  THR  14          1HG2      THR  14   9.233  -3.433  -6.112
  112   2HG2  THR  14          2HG2      THR  14   8.506  -1.998  -6.833
  113   3HG2  THR  14          3HG2      THR  14  10.189  -2.399  -7.174
  114    H    LYS  15           H        LYS  15   7.489  -6.477  -7.498
  115    HA   LYS  15           HA       LYS  15   6.132  -6.447  -4.935
  116   1HB   LYS  15          2HB       LYS  15   7.945  -8.570  -6.129
  117   2HB   LYS  15          1HB       LYS  15   6.813  -8.798  -4.796
  118   1HG   LYS  15          2HG       LYS  15   4.925  -8.530  -6.195
  119   2HG   LYS  15          1HG       LYS  15   5.874  -7.784  -7.480
  120   1HD   LYS  15          2HD       LYS  15   5.219 -10.183  -7.930
  121   2HD   LYS  15          1HD       LYS  15   6.955  -9.877  -7.998
  122   1HE   LYS  15          2HE       LYS  15   7.348 -10.919  -5.927
  123   2HE   LYS  15          1HE       LYS  15   5.665 -10.768  -5.426
  124   1HZ   LYS  15          1HZ       LYS  15   5.347 -12.803  -6.199
  125   2HZ   LYS  15          2HZ       LYS  15   6.919 -12.872  -6.843
  126   3HZ   LYS  15          3HZ       LYS  15   5.645 -12.231  -7.768
  127    H    LYS  16           H        LYS  16   9.422  -6.067  -6.021
  128    HA   LYS  16           HA       LYS  16  10.364  -6.046  -3.180
  129   1HB   LYS  16          2HB       LYS  16  12.665  -6.243  -4.299
  130   2HB   LYS  16          1HB       LYS  16  11.631  -7.669  -4.385
  131   1HG   LYS  16          2HG       LYS  16  10.855  -6.881  -6.650
  132   2HG   LYS  16          1HG       LYS  16  12.068  -5.604  -6.562
  133   1HD   LYS  16          2HD       LYS  16  13.766  -7.481  -6.124
  134   2HD   LYS  16          1HD       LYS  16  12.502  -8.590  -6.655
  135   1HE   LYS  16          2HE       LYS  16  12.363  -7.483  -8.813
  136   2HE   LYS  16          1HE       LYS  16  13.498  -6.238  -8.289
  137   1HZ   LYS  16          1HZ       LYS  16  14.287  -8.329  -9.640
  138   2HZ   LYS  16          2HZ       LYS  16  14.339  -9.032  -8.094
  139   3HZ   LYS  16          3HZ       LYS  16  15.259  -7.643  -8.431
  140    H    VAL  17           H        VAL  17   9.252  -3.799  -3.364
  141    HA   VAL  17           HA       VAL  17  10.198  -1.696  -4.956
  142    HB   VAL  17           HB       VAL  17   9.550  -0.189  -3.105
  143   1HG1  VAL  17          1HG1      VAL  17   7.782  -2.522  -3.812
  144   2HG1  VAL  17          2HG1      VAL  17   7.748  -0.880  -4.445
  145   3HG1  VAL  17          3HG1      VAL  17   7.202  -1.198  -2.801
  146   1HG2  VAL  17          1HG2      VAL  17  10.343  -1.319  -1.171
  147   2HG2  VAL  17          2HG2      VAL  17   9.495  -2.806  -1.594
  148   3HG2  VAL  17          3HG2      VAL  17   8.586  -1.398  -1.049
  149    H    LYS  18           H        LYS  18  11.566   0.153  -4.163
  150    HA   LYS  18           HA       LYS  18  14.106  -0.956  -3.114
  151   1HB   LYS  18          2HB       LYS  18  14.943   1.397  -3.817
  152   2HB   LYS  18          1HB       LYS  18  14.505   0.274  -5.104
  153   1HG   LYS  18          2HG       LYS  18  12.297   1.304  -5.302
  154   2HG   LYS  18          1HG       LYS  18  12.651   2.376  -3.949
  155   1HD   LYS  18          2HD       LYS  18  13.123   3.743  -5.791
  156   2HD   LYS  18          1HD       LYS  18  14.715   3.101  -5.391
  157   1HE   LYS  18          2HE       LYS  18  14.513   1.398  -7.123
  158   2HE   LYS  18          1HE       LYS  18  12.858   1.899  -7.468
  159   1HZ   LYS  18          1HZ       LYS  18  13.543   3.699  -8.598
  160   2HZ   LYS  18          2HZ       LYS  18  14.977   2.809  -8.788
  161   3HZ   LYS  18          3HZ       LYS  18  14.862   3.994  -7.575
  162    H    CYS  19           H        CYS  19  12.712  -1.022  -1.038
  163    HA   CYS  19           HA       CYS  19  11.693   0.890   0.515
  164   1HB   CYS  19          2HB       CYS  19  13.833  -1.098   1.267
  165   2HB   CYS  19          1HB       CYS  19  13.065  -0.064   2.471
  166    H    ASP  20           H        ASP  20  15.202   0.704  -0.114
  167    HA   ASP  20           HA       ASP  20  16.158   2.690   1.580
  168   1HB   ASP  20          2HB       ASP  20  17.675   1.451   0.154
  169   2HB   ASP  20          1HB       ASP  20  16.938   2.135  -1.295
  170    H    VAL  21           H        VAL  21  14.544   3.118  -1.542
  171    HA   VAL  21           HA       VAL  21  14.489   6.063  -1.081
  172    HB   VAL  21           HB       VAL  21  13.492   4.745  -3.583
  173   1HG1  VAL  21          1HG1      VAL  21  15.179   7.229  -3.278
  174   2HG1  VAL  21          2HG1      VAL  21  13.435   7.272  -3.022
  175   3HG1  VAL  21          3HG1      VAL  21  14.084   6.802  -4.593
  176   1HG2  VAL  21          1HG2      VAL  21  15.591   3.614  -3.282
  177   2HG2  VAL  21          2HG2      VAL  21  16.386   5.102  -2.770
  178   3HG2  VAL  21          3HG2      VAL  21  15.877   4.907  -4.447
  179    H    GLU  22           H        GLU  22  12.454   3.205  -1.507
  180    HA   GLU  22           HA       GLU  22   9.929   4.462  -1.753
  181   1HB   GLU  22          2HB       GLU  22  10.855   1.839  -1.400
  182   2HB   GLU  22          1HB       GLU  22   9.828   2.128   0.003
  183   1HG   GLU  22          2HG       GLU  22   8.378   1.290  -1.700
  184   2HG   GLU  22          1HG       GLU  22   8.084   3.027  -1.636
  185    H    MET  23           H        MET  23  12.176   4.735   0.683
  186    HA   MET  23           HA       MET  23  10.112   5.734   2.609
  187   1HB   MET  23          2HB       MET  23  12.653   4.183   3.184
  188   2HB   MET  23          1HB       MET  23  11.754   5.058   4.421
  189   1HG   MET  23          2HG       MET  23   9.705   3.673   3.477
  190   2HG   MET  23          1HG       MET  23  10.975   2.593   2.904
  191   1HE   MET  23          1HE       MET  23  10.961   4.642   6.650
  192   2HE   MET  23          2HE       MET  23   9.531   3.673   6.991
  193   3HE   MET  23          3HE       MET  23   9.588   4.662   5.536
  194    H    ALA  24           H        ALA  24  13.553   5.901   1.651
  195    HA   ALA  24           HA       ALA  24  14.049   8.382   3.023
  196   1HB   ALA  24          1HB       ALA  24  15.809   6.749   2.219
  197   2HB   ALA  24          2HB       ALA  24  16.131   8.434   1.811
  198   3HB   ALA  24          3HB       ALA  24  15.507   7.335   0.583
  199    H    LYS  25           H        LYS  25  11.918   7.840   0.643
  200    HA   LYS  25           HA       LYS  25  12.361   9.698  -1.412
  201   1HB   LYS  25          2HB       LYS  25   9.934   8.614  -0.051
  202   2HB   LYS  25          1HB       LYS  25   9.705  10.039  -1.057
  203   1HG   LYS  25          2HG       LYS  25  10.044   8.889  -2.992
  204   2HG   LYS  25          1HG       LYS  25  11.365   7.941  -2.315
  205   1HD   LYS  25          2HD       LYS  25   9.576   6.415  -2.769
  206   2HD   LYS  25          1HD       LYS  25   9.628   6.629  -1.019
  207   1HE   LYS  25          2HE       LYS  25   7.311   6.768  -1.794
  208   2HE   LYS  25          1HE       LYS  25   7.838   8.346  -1.207
  209   1HZ   LYS  25          1HZ       LYS  25   6.764   7.817  -3.659
  210   2HZ   LYS  25          2HZ       LYS  25   8.426   7.966  -3.977
  211   3HZ   LYS  25          3HZ       LYS  25   7.588   9.232  -3.215
  212    H    ALA  26           H        ALA  26  10.593  11.737  -1.394
  213    HA   ALA  26           HA       ALA  26  11.647  13.504   0.757
  214   1HB   ALA  26          1HB       ALA  26  10.733  15.332  -0.711
  215   2HB   ALA  26          2HB       ALA  26  10.273  14.094  -1.880
  216   3HB   ALA  26          3HB       ALA  26  11.975  14.349  -1.490
  217    H    LEU  27           H        LEU  27   8.844  11.750  -0.087
  218    HA   LEU  27           HA       LEU  27   7.068  13.615   1.416
  219   1HB   LEU  27          2HB       LEU  27   5.233  12.136   0.630
  220   2HB   LEU  27          1HB       LEU  27   6.175  12.802  -0.699
  221    HG   LEU  27           HG       LEU  27   7.560  10.488  -0.211
  222   1HD1  LEU  27          1HD1      LEU  27   5.833   8.696   0.001
  223   2HD1  LEU  27          2HD1      LEU  27   4.628   9.935   0.344
  224   3HD1  LEU  27          3HD1      LEU  27   5.971   9.680   1.456
  225   1HD2  LEU  27          1HD2      LEU  27   6.077   9.557  -2.125
  226   2HD2  LEU  27          2HD2      LEU  27   6.960  11.052  -2.429
  227   3HD2  LEU  27          3HD2      LEU  27   5.240  11.106  -2.044
  228    H    PHE  28           H        PHE  28   9.136  11.174   2.135
  229    HA   PHE  28           HA       PHE  28   7.441  10.247   4.430
  230   1HB   PHE  28          2HB       PHE  28   9.319   8.759   2.627
  231   2HB   PHE  28          1HB       PHE  28   9.219   8.260   4.313
  232    HD1  PHE  28           1HD      PHE  28   6.583   8.317   5.183
  233    HD2  PHE  28           2HD      PHE  28   7.957   7.539   1.184
  234    HE1  PHE  28           1HE      PHE  28   4.490   7.085   4.702
  235    HE2  PHE  28           2HE      PHE  28   5.859   6.308   0.707
  236    HZ   PHE  28           HZ       PHE  28   4.126   6.079   2.466
  237    H    ASP  29           H        ASP  29  10.665  11.193   3.322
  238    HA   ASP  29           HA       ASP  29  12.399  12.230   4.519
  239   1HB   ASP  29          2HB       ASP  29  10.819  12.116   7.071
  240   2HB   ASP  29          1HB       ASP  29  11.904  13.375   6.481
  241    H    CYS  30           H        CYS  30  12.359   9.417   4.208
  242    HA   CYS  30           HA       CYS  30  13.271   7.446   5.122
  243   1HB   CYS  30          2HB       CYS  30  15.265   8.908   4.994
  244   2HB   CYS  30          1HB       CYS  30  14.912   9.520   6.610
  245    H    LYS  31           H        LYS  31  11.030   7.383   6.301
  246    HA   LYS  31           HA       LYS  31  10.932   8.033   9.108
  247   1HB   LYS  31          2HB       LYS  31   9.284   5.838   7.854
  248   2HB   LYS  31          1HB       LYS  31   8.834   6.958   9.135
  249   1HG   LYS  31          2HG       LYS  31   9.548   8.271   6.581
  250   2HG   LYS  31          1HG       LYS  31   8.126   7.242   6.489
  251   1HD   LYS  31          2HD       LYS  31   8.543   9.406   8.568
  252   2HD   LYS  31          1HD       LYS  31   7.595   9.606   7.097
  253   1HE   LYS  31          2HE       LYS  31   6.477   7.323   8.087
  254   2HE   LYS  31          1HE       LYS  31   6.921   8.141   9.585
  255   1HZ   LYS  31          1HZ       LYS  31   4.738   8.822   8.931
  256   2HZ   LYS  31          2HZ       LYS  31   5.277   9.252   7.378
  257   3HZ   LYS  31          3HZ       LYS  31   5.791  10.137   8.734
  258    H    LYS  32           H        LYS  32   9.801   5.124   9.502
  259    HA   LYS  32           HA       LYS  32  12.417   3.746   9.928
  260   1HB   LYS  32          2HB       LYS  32  11.685   3.039  12.158
  261   2HB   LYS  32          1HB       LYS  32  11.687   4.799  12.062
  262   1HG   LYS  32          2HG       LYS  32   9.231   4.691  11.494
  263   2HG   LYS  32          1HG       LYS  32   9.286   2.964  11.844
  264   1HD   LYS  32          2HD       LYS  32  10.048   5.161  13.792
  265   2HD   LYS  32          1HD       LYS  32   8.525   4.271  13.810
  266   1HE   LYS  32          2HE       LYS  32  10.058   2.150  13.900
  267   2HE   LYS  32          1HE       LYS  32  11.297   3.284  14.443
  268   1HZ   LYS  32          1HZ       LYS  32  10.118   2.346  16.315
  269   2HZ   LYS  32          2HZ       LYS  32   8.632   2.881  15.690
  270   3HZ   LYS  32          3HZ       LYS  32   9.796   4.007  16.202
  271    H    THR  33           H        THR  33   8.936   3.568   9.457
  272    HA   THR  33           HA       THR  33   9.276   0.790   8.443
  273    HB   THR  33           HB       THR  33   8.442   0.648  10.794
  274    HG1  THR  33           1HG      THR  33   6.792  -0.729  10.273
  275   1HG2  THR  33          1HG2      THR  33   5.984   2.065   9.745
  276   2HG2  THR  33          2HG2      THR  33   7.250   2.886  10.658
  277   3HG2  THR  33          3HG2      THR  33   6.323   1.586  11.408
  278    H    ASN  34           H        ASN  34   7.892   0.334   6.694
  279    HA   ASN  34           HA       ASN  34   5.763   2.266   6.011
  280   1HB   ASN  34          2HB       ASN  34   8.389   2.106   4.635
  281   2HB   ASN  34          1HB       ASN  34   6.983   2.148   3.577
  282   1HD2  ASN  34          1HD2      ASN  34   7.882   4.373   2.977
  283   2HD2  ASN  34          2HD2      ASN  34   7.475   5.691   3.966
  284    H    THR  35           H        THR  35   4.326   1.449   4.402
  285    HA   THR  35           HA       THR  35   4.769  -1.367   3.533
  286    HB   THR  35           HB       THR  35   2.272  -0.293   4.880
  287    HG1  THR  35           1HG      THR  35   3.566  -2.589   5.714
  288   1HG2  THR  35          1HG2      THR  35   2.853  -2.885   3.439
  289   2HG2  THR  35          2HG2      THR  35   1.545  -1.743   3.130
  290   3HG2  THR  35          3HG2      THR  35   1.533  -2.721   4.598
  291    H    PHE  36           H        PHE  36   3.537  -1.914   1.612
  292    HA   PHE  36           HA       PHE  36   2.009   0.260   0.314
  293   1HB   PHE  36          2HB       PHE  36   4.046  -0.934  -1.487
  294   2HB   PHE  36          1HB       PHE  36   3.427   0.710  -1.432
  295    HD1  PHE  36           1HD      PHE  36   5.451  -1.618   0.711
  296    HD2  PHE  36           2HD      PHE  36   4.906   2.374  -0.758
  297    HE1  PHE  36           1HE      PHE  36   7.512  -0.910   1.883
  298    HE2  PHE  36           2HE      PHE  36   6.966   3.088   0.420
  299    HZ   PHE  36           HZ       PHE  36   8.271   1.443   1.735
  300    H    ILE  37           H        ILE  37   1.270  -0.688  -1.981
  301    HA   ILE  37           HA       ILE  37   0.669  -3.594  -1.580
  302    HB   ILE  37           HB       ILE  37  -1.125  -1.482  -2.791
  303   1HG1  ILE  37          2HG1      ILE  37  -1.870  -2.926  -0.288
  304   2HG1  ILE  37          1HG1      ILE  37  -0.596  -1.725  -0.128
  305   1HG2  ILE  37          1HG2      ILE  37  -2.827  -3.343  -2.587
  306   2HG2  ILE  37          2HG2      ILE  37  -1.490  -4.430  -2.209
  307   3HG2  ILE  37          3HG2      ILE  37  -1.560  -3.632  -3.781
  308   1HD1  ILE  37          1HD1      ILE  37  -2.004   0.027  -0.535
  309   2HD1  ILE  37          2HD1      ILE  37  -3.217  -1.109   0.046
  310   3HD1  ILE  37          3HD1      ILE  37  -2.986  -0.882  -1.686
  311    H    TYR  38           H        TYR  38   1.152  -4.915  -3.269
  312    HA   TYR  38           HA       TYR  38   2.222  -3.624  -5.731
  313   1HB   TYR  38          2HB       TYR  38   3.590  -5.389  -4.704
  314   2HB   TYR  38          1HB       TYR  38   2.243  -6.520  -4.825
  315    HD1  TYR  38           1HD      TYR  38   4.056  -4.105  -7.065
  316    HD2  TYR  38           2HD      TYR  38   2.296  -7.999  -6.620
  317    HE1  TYR  38           1HE      TYR  38   4.727  -4.675  -9.383
  318    HE2  TYR  38           2HE      TYR  38   2.969  -8.567  -8.937
  319    HH   TYR  38           HH       TYR  38   5.225  -6.943 -10.646
  320    H    ALA  39           H        ALA  39   0.411  -3.045  -6.952
  321    HA   ALA  39           HA       ALA  39  -1.058  -5.258  -8.199
  322   1HB   ALA  39          1HB       ALA  39  -3.293  -4.202  -7.636
  323   2HB   ALA  39          2HB       ALA  39  -2.446  -3.213  -6.446
  324   3HB   ALA  39          3HB       ALA  39  -2.476  -4.968  -6.273
  325    H    LEU  40           H        LEU  40  -2.231  -4.529 -10.107
  326    HA   LEU  40           HA       LEU  40  -1.062  -2.057 -11.215
  327   1HB   LEU  40          2HB       LEU  40  -1.360  -2.999 -13.282
  328   2HB   LEU  40          1HB       LEU  40  -1.393  -4.477 -12.329
  329    HG   LEU  40           HG       LEU  40  -4.011  -3.873 -12.194
  330   1HD1  LEU  40          1HD1      LEU  40  -3.245  -2.882 -14.943
  331   2HD1  LEU  40          2HD1      LEU  40  -3.485  -1.775 -13.598
  332   3HD1  LEU  40          3HD1      LEU  40  -4.814  -2.787 -14.151
  333   1HD2  LEU  40          1HD2      LEU  40  -4.297  -5.329 -14.226
  334   2HD2  LEU  40          2HD2      LEU  40  -3.162  -5.979 -13.044
  335   3HD2  LEU  40          3HD2      LEU  40  -2.560  -5.195 -14.505
  336    HA   PRO  41           HA       PRO  41  -4.297   0.831 -10.551
  337   1HB   PRO  41          2HB       PRO  41  -4.591   0.960 -13.520
  338   2HB   PRO  41          1HB       PRO  41  -4.369   2.273 -12.351
  339   1HG   PRO  41          2HG       PRO  41  -2.387   1.242 -13.948
  340   2HG   PRO  41          1HG       PRO  41  -2.118   2.128 -12.442
  341   1HD   PRO  41          2HD       PRO  41  -1.593  -0.669 -12.982
  342   2HD   PRO  41          1HD       PRO  41  -1.250   0.246 -11.500
  343    H    GLY  42           H        GLY  42  -5.098  -1.156 -13.424
  344   1HA   GLY  42          2HA       GLY  42  -7.890  -1.050 -13.212
  345   2HA   GLY  42          1HA       GLY  42  -7.028  -2.429 -13.887
  346    H    ARG  43           H        ARG  43  -5.725  -3.456 -11.704
  347    HA   ARG  43           HA       ARG  43  -7.786  -4.895 -10.354
  348   1HB   ARG  43          2HB       ARG  43  -5.361  -5.611 -10.742
  349   2HB   ARG  43          1HB       ARG  43  -4.949  -4.593  -9.362
  350   1HG   ARG  43          2HG       ARG  43  -6.444  -5.865  -7.918
  351   2HG   ARG  43          1HG       ARG  43  -6.994  -6.829  -9.288
  352   1HD   ARG  43          2HD       ARG  43  -4.537  -7.493  -9.609
  353   2HD   ARG  43          1HD       ARG  43  -4.257  -6.808  -8.009
  354    HE   ARG  43           HE       ARG  43  -6.360  -8.524  -7.573
  355   1HH1  ARG  43          1HH2      ARG  43  -3.290  -8.760  -9.124
  356   2HH1  ARG  43          2HH2      ARG  43  -3.084 -10.439  -8.754
  357   1HH2  ARG  43          1HH1      ARG  43  -6.109 -10.716  -7.082
  358   2HH2  ARG  43          2HH1      ARG  43  -4.680 -11.547  -7.599
  359    H    VAL  44           H        VAL  44  -5.981  -1.983  -9.506
  360    HA   VAL  44           HA       VAL  44  -6.846  -1.973  -6.732
  361    HB   VAL  44           HB       VAL  44  -5.827   0.326  -8.426
  362   1HG1  VAL  44          1HG1      VAL  44  -6.778   1.222  -6.446
  363   2HG1  VAL  44          2HG1      VAL  44  -5.060   1.076  -6.079
  364   3HG1  VAL  44          3HG1      VAL  44  -6.197  -0.120  -5.461
  365   1HG2  VAL  44          1HG2      VAL  44  -4.349  -1.760  -8.267
  366   2HG2  VAL  44          2HG2      VAL  44  -4.245  -1.433  -6.537
  367   3HG2  VAL  44          3HG2      VAL  44  -3.626  -0.257  -7.697
  368    H    LYS  45           H        LYS  45  -7.720   0.128  -9.506
  369    HA   LYS  45           HA       LYS  45  -9.952   1.330  -8.167
  370   1HB   LYS  45          2HB       LYS  45 -10.612   2.143 -10.360
  371   2HB   LYS  45          1HB       LYS  45  -8.855   2.232 -10.244
  372   1HG   LYS  45          2HG       LYS  45  -8.852  -0.116 -11.320
  373   2HG   LYS  45          1HG       LYS  45 -10.532   0.218 -11.741
  374   1HD   LYS  45          2HD       LYS  45  -8.103   1.847 -12.544
  375   2HD   LYS  45          1HD       LYS  45  -9.127   0.883 -13.609
  376   1HE   LYS  45          2HE       LYS  45 -11.070   2.363 -12.815
  377   2HE   LYS  45          1HE       LYS  45  -9.835   3.434 -12.154
  378   1HZ   LYS  45          1HZ       LYS  45 -10.694   3.164 -14.828
  379   2HZ   LYS  45          2HZ       LYS  45  -9.040   2.790 -14.728
  380   3HZ   LYS  45          3HZ       LYS  45  -9.611   4.289 -14.168
  381    H    ALA  46           H        ALA  46  -9.480  -1.738  -9.638
  382    HA   ALA  46           HA       ALA  46 -12.248  -2.331 -10.248
  383   1HB   ALA  46          1HB       ALA  46 -11.326  -4.747 -10.163
  384   2HB   ALA  46          2HB       ALA  46  -9.758  -3.997  -9.886
  385   3HB   ALA  46          3HB       ALA  46 -10.641  -3.666 -11.375
  386    H    LEU  47           H        LEU  47 -10.115  -2.953  -7.462
  387    HA   LEU  47           HA       LEU  47 -11.983  -4.526  -5.974
  388   1HB   LEU  47          2HB       LEU  47  -9.639  -2.793  -5.185
  389   2HB   LEU  47          1HB       LEU  47 -10.611  -3.622  -3.971
  390    HG   LEU  47           HG       LEU  47  -9.576  -5.191  -6.316
  391   1HD1  LEU  47          1HD1      LEU  47  -7.614  -3.954  -5.469
  392   2HD1  LEU  47          2HD1      LEU  47  -7.499  -5.668  -5.069
  393   3HD1  LEU  47          3HD1      LEU  47  -7.972  -4.504  -3.833
  394   1HD2  LEU  47          1HD2      LEU  47 -11.127  -6.257  -4.738
  395   2HD2  LEU  47          2HD2      LEU  47 -10.088  -5.808  -3.386
  396   3HD2  LEU  47          3HD2      LEU  47  -9.525  -6.977  -4.579
  397    H    CYS  48           H        CYS  48 -11.862  -1.138  -6.658
  398    HA   CYS  48           HA       CYS  48 -13.899  -0.602  -4.527
  399   1HB   CYS  48          2HB       CYS  48 -11.809   1.073  -5.868
  400   2HB   CYS  48          1HB       CYS  48 -13.291   1.867  -5.341
  401    H    LYS  49           H        LYS  49 -14.346  -1.871  -7.243
  402    HA   LYS  49           HA       LYS  49 -15.828   0.218  -8.695
  403   1HB   LYS  49          2HB       LYS  49 -14.898  -1.210 -10.257
  404   2HB   LYS  49          1HB       LYS  49 -15.006  -2.611  -9.193
  405   1HG   LYS  49          2HG       LYS  49 -17.303  -2.929  -9.651
  406   2HG   LYS  49          1HG       LYS  49 -17.475  -1.313 -10.337
  407   1HD   LYS  49          2HD       LYS  49 -15.999  -1.958 -12.216
  408   2HD   LYS  49          1HD       LYS  49 -15.857  -3.580 -11.538
  409   1HE   LYS  49          2HE       LYS  49 -17.565  -3.639 -13.252
  410   2HE   LYS  49          1HE       LYS  49 -18.362  -3.784 -11.686
  411   1HZ   LYS  49          1HZ       LYS  49 -19.604  -2.175 -12.743
  412   2HZ   LYS  49          2HZ       LYS  49 -18.259  -1.471 -13.507
  413   3HZ   LYS  49          3HZ       LYS  49 -18.516  -1.234 -11.844
  414    H    ASN  50           H        ASN  50 -17.980   0.570  -8.432
  415    HA   ASN  50           HA       ASN  50 -20.239   0.148  -7.916
  416   1HB   ASN  50          2HB       ASN  50 -19.453  -2.317  -8.583
  417   2HB   ASN  50          1HB       ASN  50 -19.655  -2.589  -6.852
  418   1HD2  ASN  50          1HD2      ASN  50 -21.333  -2.862  -9.688
  419   2HD2  ASN  50          2HD2      ASN  50 -22.912  -2.615  -9.115
  420    H    ILE  51           H        ILE  51 -18.234   1.210  -6.048
  421    HA   ILE  51           HA       ILE  51 -19.047   0.130  -3.422
  422    HB   ILE  51           HB       ILE  51 -17.207   2.417  -4.181
  423   1HG1  ILE  51          2HG1      ILE  51 -16.384   0.196  -4.851
  424   2HG1  ILE  51          1HG1      ILE  51 -15.422   0.840  -3.524
  425   1HG2  ILE  51          1HG2      ILE  51 -17.881   2.946  -2.002
  426   2HG2  ILE  51          2HG2      ILE  51 -16.437   1.975  -1.733
  427   3HG2  ILE  51          3HG2      ILE  51 -18.032   1.251  -1.535
  428   1HD1  ILE  51          1HD1      ILE  51 -17.344  -1.447  -3.547
  429   2HD1  ILE  51          2HD1      ILE  51 -17.241  -0.493  -2.069
  430   3HD1  ILE  51          3HD1      ILE  51 -15.804  -1.286  -2.707
  431    H    ARG  52           H        ARG  52 -19.564   1.990  -1.750
  432    HA   ARG  52           HA       ARG  52 -21.742   3.642  -2.963
  433   1HB   ARG  52          2HB       ARG  52 -22.421   1.921  -1.283
  434   2HB   ARG  52          1HB       ARG  52 -21.425   2.749  -0.086
  435   1HG   ARG  52          2HG       ARG  52 -22.751   4.802  -0.382
  436   2HG   ARG  52          1HG       ARG  52 -23.741   3.993  -1.598
  437   1HD   ARG  52          2HD       ARG  52 -24.327   2.269   0.158
  438   2HD   ARG  52          1HD       ARG  52 -23.521   3.299   1.342
  439    HE   ARG  52           HE       ARG  52 -25.357   4.792   1.224
  440   1HH1  ARG  52          1HH2      ARG  52 -25.351   2.484  -1.337
  441   2HH1  ARG  52          2HH2      ARG  52 -26.934   2.907  -1.901
  442   1HH2  ARG  52          1HH1      ARG  52 -27.423   5.357   0.503
  443   2HH2  ARG  52          2HH1      ARG  52 -28.107   4.534  -0.859
  444    H    ASP  53           H        ASP  53 -20.101   3.948   0.161
  445    HA   ASP  53           HA       ASP  53 -18.956   6.564  -0.671
  446   1HB   ASP  53          2HB       ASP  53 -21.328   6.777   0.373
  447   2HB   ASP  53          1HB       ASP  53 -20.528   6.365   1.890
  448    H    ASN  54           H        ASN  54 -18.465   7.238   2.104
  449    HA   ASN  54           HA       ASN  54 -15.913   5.988   2.418
  450   1HB   ASN  54          2HB       ASN  54 -16.037   7.028   4.756
  451   2HB   ASN  54          1HB       ASN  54 -16.200   8.143   3.398
  452   1HD2  ASN  54          1HD2      ASN  54 -18.396   8.950   2.898
  453   2HD2  ASN  54          2HD2      ASN  54 -19.623   8.885   4.070
  454    H    THR  55           H        THR  55 -15.872   3.800   2.703
  455    HA   THR  55           HA       THR  55 -17.045   2.737   5.200
  456    HB   THR  55           HB       THR  55 -17.473   1.083   2.738
  457    HG1  THR  55           1HG      THR  55 -19.598   2.156   2.669
  458   1HG2  THR  55          1HG2      THR  55 -19.056   1.516   5.288
  459   2HG2  THR  55          2HG2      THR  55 -17.937   0.185   4.988
  460   3HG2  THR  55          3HG2      THR  55 -19.419   0.321   4.042
  461    H    ASP  56           H        ASP  56 -16.151   0.510   5.635
  462    HA   ASP  56           HA       ASP  56 -13.343   0.378   4.660
  463   1HB   ASP  56          2HB       ASP  56 -14.731  -0.959   7.001
  464   2HB   ASP  56          1HB       ASP  56 -13.032  -1.185   6.585
  465    H    VAL  57           H        VAL  57 -12.887  -1.064   3.082
  466    HA   VAL  57           HA       VAL  57 -14.747  -3.358   2.669
  467    HB   VAL  57           HB       VAL  57 -13.828  -3.495   0.425
  468   1HG1  VAL  57          1HG1      VAL  57 -14.631  -1.406  -0.434
  469   2HG1  VAL  57          2HG1      VAL  57 -14.227  -0.563   1.062
  470   3HG1  VAL  57          3HG1      VAL  57 -15.556  -1.721   1.036
  471   1HG2  VAL  57          1HG2      VAL  57 -11.905  -1.378   1.429
  472   2HG2  VAL  57          2HG2      VAL  57 -12.102  -1.785  -0.273
  473   3HG2  VAL  57          3HG2      VAL  57 -11.496  -2.995   0.859
  474    H    LEU  58           H        LEU  58 -13.599  -5.414   1.910
  475    HA   LEU  58           HA       LEU  58 -10.953  -5.790   3.242
  476   1HB   LEU  58          2HB       LEU  58 -13.292  -6.545   4.458
  477   2HB   LEU  58          1HB       LEU  58 -12.912  -8.005   3.554
  478    HG   LEU  58           HG       LEU  58 -11.944  -8.097   5.808
  479   1HD1  LEU  58          1HD1      LEU  58 -10.772  -9.063   3.766
  480   2HD1  LEU  58          2HD1      LEU  58  -9.754  -8.783   5.177
  481   3HD1  LEU  58          3HD1      LEU  58  -9.711  -7.656   3.822
  482   1HD2  LEU  58          1HD2      LEU  58 -11.482  -5.373   5.437
  483   2HD2  LEU  58          2HD2      LEU  58  -9.867  -6.080   5.370
  484   3HD2  LEU  58          3HD2      LEU  58 -10.890  -6.351   6.776
  485    H    SER  59           H        SER  59  -9.571  -6.955   1.919
  486    HA   SER  59           HA       SER  59 -10.314  -7.725  -0.698
  487   1HB   SER  59          2HB       SER  59  -8.035  -7.719  -0.639
  488   2HB   SER  59          1HB       SER  59  -7.979  -8.195   1.051
  489    HG   SER  59           HG       SER  59  -8.802 -10.311   0.098
  490    H    ARG  60           H        ARG  60 -10.799  -9.795  -1.617
  491    HA   ARG  60           HA       ARG  60 -12.381 -11.484   0.196
  492   1HB   ARG  60          2HB       ARG  60 -11.943 -11.451  -2.793
  493   2HB   ARG  60          1HB       ARG  60 -12.862 -12.726  -1.994
  494   1HG   ARG  60          2HG       ARG  60 -14.423 -11.091  -1.080
  495   2HG   ARG  60          1HG       ARG  60 -13.466  -9.766  -1.744
  496   1HD   ARG  60          2HD       ARG  60 -14.606 -11.937  -3.506
  497   2HD   ARG  60          1HD       ARG  60 -15.528 -10.492  -3.098
  498    HE   ARG  60           HE       ARG  60 -13.297 -10.616  -4.955
  499   1HH1  ARG  60          1HH2      ARG  60 -15.025  -8.708  -2.663
  500   2HH1  ARG  60          2HH2      ARG  60 -14.570  -7.197  -3.378
  501   1HH2  ARG  60          1HH1      ARG  60 -12.692  -8.655  -5.902
  502   2HH2  ARG  60          2HH1      ARG  60 -13.249  -7.166  -5.212
  503    H    ASP  61           H        ASP  61  -9.177 -11.413  -0.315
  504    HA   ASP  61           HA       ASP  61  -8.847 -14.186   0.487
  505   1HB   ASP  61          2HB       ASP  61  -7.312 -14.677  -1.531
  506   2HB   ASP  61          1HB       ASP  61  -9.053 -14.740  -1.812
  507    H    ALA  62           H        ALA  62  -6.417 -12.603  -1.480
  508    HA   ALA  62           HA       ALA  62  -5.131 -11.386   0.856
  509   1HB   ALA  62          1HB       ALA  62  -4.031 -13.853  -0.491
  510   2HB   ALA  62          2HB       ALA  62  -4.329 -13.597   1.227
  511   3HB   ALA  62          3HB       ALA  62  -3.007 -12.749   0.426
  512    H    PHE  63           H        PHE  63  -2.905 -10.492   0.158
  513    HA   PHE  63           HA       PHE  63  -2.657  -9.956  -2.728
  514   1HB   PHE  63          2HB       PHE  63  -3.519  -7.904  -0.704
  515   2HB   PHE  63          1HB       PHE  63  -2.485  -7.404  -2.043
  516    HD1  PHE  63           1HD      PHE  63  -5.758  -8.904  -1.154
  517    HD2  PHE  63           2HD      PHE  63  -3.307  -7.311  -4.300
  518    HE1  PHE  63           1HE      PHE  63  -7.725  -8.861  -2.665
  519    HE2  PHE  63           2HE      PHE  63  -5.273  -7.267  -5.811
  520    HZ   PHE  63           HZ       PHE  63  -7.481  -8.042  -4.993
  521    H    LEU  64           H        LEU  64  -0.518  -9.589  -3.250
  522    HA   LEU  64           HA       LEU  64   1.445  -9.949  -1.107
  523   1HB   LEU  64          2HB       LEU  64   1.486 -10.904  -3.540
  524   2HB   LEU  64          1HB       LEU  64   2.114  -9.319  -3.980
  525    HG   LEU  64           HG       LEU  64   3.401 -10.730  -1.665
  526   1HD1  LEU  64          1HD1      LEU  64   3.643 -11.534  -4.564
  527   2HD1  LEU  64          2HD1      LEU  64   3.393 -12.568  -3.157
  528   3HD1  LEU  64          3HD1      LEU  64   4.959 -11.799  -3.419
  529   1HD2  LEU  64          1HD2      LEU  64   5.406  -9.632  -2.634
  530   2HD2  LEU  64          2HD2      LEU  64   4.119  -8.468  -2.324
  531   3HD2  LEU  64          3HD2      LEU  64   4.420  -9.030  -3.967
  532    H    LEU  65           H        LEU  65   2.020  -8.176   0.082
  533    HA   LEU  65           HA       LEU  65   2.385  -5.608  -1.403
  534   1HB   LEU  65          2HB       LEU  65   2.115  -5.007   1.344
  535   2HB   LEU  65          1HB       LEU  65   0.980  -4.644   0.060
  536    HG   LEU  65           HG       LEU  65   0.977  -7.368   1.317
  537   1HD1  LEU  65          1HD1      LEU  65   0.852  -5.848   3.199
  538   2HD1  LEU  65          2HD1      LEU  65  -0.779  -6.434   2.872
  539   3HD1  LEU  65          3HD1      LEU  65  -0.299  -4.819   2.350
  540   1HD2  LEU  65          1HD2      LEU  65  -1.394  -7.241   0.619
  541   2HD2  LEU  65          2HD2      LEU  65  -0.335  -6.921  -0.751
  542   3HD2  LEU  65          3HD2      LEU  65  -1.147  -5.587   0.063
  543    HA   PRO  66           HA       PRO  66   6.575  -6.026   0.124
  544   1HB   PRO  66          2HB       PRO  66   7.495  -3.574  -0.674
  545   2HB   PRO  66          1HB       PRO  66   7.271  -4.933  -1.791
  546   1HG   PRO  66          2HG       PRO  66   5.570  -2.545  -1.359
  547   2HG   PRO  66          1HG       PRO  66   5.897  -3.441  -2.846
  548   1HD   PRO  66          2HD       PRO  66   3.573  -3.679  -1.357
  549   2HD   PRO  66          1HD       PRO  66   4.182  -4.913  -2.484
  550    H    GLN  67           H        GLN  67   7.834  -5.095   1.928
  551    HA   GLN  67           HA       GLN  67   6.551  -2.839   3.368
  552   1HB   GLN  67          2HB       GLN  67   5.593  -5.081   4.166
  553   2HB   GLN  67          1HB       GLN  67   7.197  -5.405   4.826
  554   1HG   GLN  67          2HG       GLN  67   7.057  -3.239   6.081
  555   2HG   GLN  67          1HG       GLN  67   5.393  -3.071   5.520
  556   1HE2  GLN  67          1HE2      GLN  67   4.103  -3.558   7.316
  557   2HE2  GLN  67          2HE2      GLN  67   4.291  -4.936   8.291
  558    H    CYS  68           H        CYS  68   8.067  -1.513   4.234
  559    HA   CYS  68           HA       CYS  68  10.894  -2.481   4.256
  560   1HB   CYS  68          2HB       CYS  68   9.859   0.351   4.523
  561   2HB   CYS  68          1HB       CYS  68  11.518  -0.148   4.196
  562    H    ASP  69           H        ASP  69  11.902  -2.813   6.201
  563    HA   ASP  69           HA       ASP  69  10.607  -1.653   8.651
  564   1HB   ASP  69          2HB       ASP  69  10.217  -4.094   8.470
  565   2HB   ASP  69          1HB       ASP  69  11.961  -4.355   8.391
  566    H    ARG  70           H        ARG  70  11.958  -0.360   9.788
  567    HA   ARG  70           HA       ARG  70  14.834  -0.320   9.119
  568   1HB   ARG  70          2HB       ARG  70  13.529   1.798   9.391
  569   2HB   ARG  70          1HB       ARG  70  13.290   1.393  11.090
  570   1HG   ARG  70          2HG       ARG  70  15.619   1.548  11.561
  571   2HG   ARG  70          1HG       ARG  70  16.041   1.551   9.848
  572   1HD   ARG  70          2HD       ARG  70  16.227   3.822  10.628
  573   2HD   ARG  70          1HD       ARG  70  14.772   3.731   9.636
  574    HE   ARG  70           HE       ARG  70  13.867   3.240  12.216
  575   1HH1  ARG  70          1HH2      ARG  70  15.711   5.670  10.607
  576   2HH1  ARG  70          2HH2      ARG  70  15.184   6.948  11.651
  577   1HH2  ARG  70          1HH1      ARG  70  13.170   4.895  13.588
  578   2HH2  ARG  70          2HH1      ARG  70  13.746   6.510  13.338
  579    H    ILE  71           H        ILE  71  16.460  -0.388  10.888
  580    HA   ILE  71           HA       ILE  71  15.715  -1.398  13.498
  581    HB   ILE  71           HB       ILE  71  15.339  -3.422  12.073
  582   1HG1  ILE  71          2HG1      ILE  71  17.739  -3.691  13.907
  583   2HG1  ILE  71          1HG1      ILE  71  16.080  -3.530  14.484
  584   1HG2  ILE  71          1HG2      ILE  71  17.221  -2.777  10.469
  585   2HG2  ILE  71          2HG2      ILE  71  17.162  -4.474  10.941
  586   3HG2  ILE  71          3HG2      ILE  71  18.339  -3.392  11.686
  587   1HD1  ILE  71          1HD1      ILE  71  16.611  -5.889  14.410
  588   2HD1  ILE  71          2HD1      ILE  71  17.202  -5.750  12.754
  589   3HD1  ILE  71          3HD1      ILE  71  15.483  -5.547  13.097
  590    H    LYS  72           H        LYS  72  18.188  -0.777  11.068
  591    HA   LYS  72           HA       LYS  72  20.046  -0.046  13.271
  592   1HB   LYS  72          2HB       LYS  72  20.438  -2.447  12.357
  593   2HB   LYS  72          1HB       LYS  72  21.048  -1.642  10.913
  594   1HG   LYS  72          2HG       LYS  72  22.765  -0.516  12.171
  595   2HG   LYS  72          1HG       LYS  72  22.063  -1.037  13.703
  596   1HD   LYS  72          2HD       LYS  72  22.475  -3.417  13.005
  597   2HD   LYS  72          1HD       LYS  72  23.340  -2.801  11.596
  598   1HE   LYS  72          2HE       LYS  72  24.859  -1.545  13.140
  599   2HE   LYS  72          1HE       LYS  72  24.050  -2.318  14.504
  600   1HZ   LYS  72          1HZ       LYS  72  25.349  -3.806  12.291
  601   2HZ   LYS  72          2HZ       LYS  72  24.732  -4.449  13.736
  602   3HZ   LYS  72          3HZ       LYS  72  26.109  -3.454  13.766
  603    H    LEU  73           H        LEU  73  22.050   1.091  12.244
  604    HA   LEU  73           HA       LEU  73  22.854   2.900  10.995
  605   1HB   LEU  73          2HB       LEU  73  20.953   2.034   8.803
  606   2HB   LEU  73          1HB       LEU  73  22.518   2.823   8.636
  607    HG   LEU  73           HG       LEU  73  22.071   0.011   9.663
  608   1HD1  LEU  73          1HD1      LEU  73  23.062   1.160   7.052
  609   2HD1  LEU  73          2HD1      LEU  73  21.780  -0.023   7.306
  610   3HD1  LEU  73          3HD1      LEU  73  23.464  -0.482   7.556
  611   1HD2  LEU  73          1HD2      LEU  73  24.532   1.740   9.346
  612   2HD2  LEU  73          2HD2      LEU  73  24.628  -0.018   9.420
  613   3HD2  LEU  73          3HD2      LEU  73  23.985   0.886  10.789
  614    HA   PRO  74           HA       PRO  74  19.676   6.004  11.325
  615   1HB   PRO  74          2HB       PRO  74  20.650   8.052   9.863
  616   2HB   PRO  74          1HB       PRO  74  21.490   7.450  11.304
  617   1HG   PRO  74          2HG       PRO  74  22.182   7.126   8.459
  618   2HG   PRO  74          1HG       PRO  74  23.223   7.076   9.889
  619   1HD   PRO  74          2HD       PRO  74  22.131   4.848   8.425
  620   2HD   PRO  74          1HD       PRO  74  23.165   4.794   9.870
  621    H    CYS  75           H        CYS  75  20.104   4.644   8.233
  622    HA   CYS  75           HA       CYS  75  17.379   5.330   7.481
  623   1HB   CYS  75          2HB       CYS  75  19.708   6.793   6.341
  624   2HB   CYS  75          1HB       CYS  75  18.447   6.305   5.211
  625    H    HIS  76           H        HIS  76  17.624   2.922   7.634
  626    HA   HIS  76           HA       HIS  76  18.101   1.814   4.951
  627   1HB   HIS  76          2HB       HIS  76  20.329   1.643   6.046
  628   2HB   HIS  76          1HB       HIS  76  19.589   0.751   7.376
  629    HD1  HIS  76           1HD      HIS  76  19.230  -1.728   7.051
  630    HD2  HIS  76           2HD      HIS  76  20.177   0.208   3.479
  631    HE1  HIS  76           1HE      HIS  76  19.565  -3.546   5.316
  632    HE2  HIS  76           2HE      HIS  76  20.142  -2.377   3.139
  633    H    TYR  77           H        TYR  77  16.778  -0.014   4.622
  634    HA   TYR  77           HA       TYR  77  15.356  -1.084   7.019
  635   1HB   TYR  77          2HB       TYR  77  13.758  -0.710   4.533
  636   2HB   TYR  77          1HB       TYR  77  13.252  -0.612   6.218
  637    HD1  TYR  77           1HD      TYR  77  12.934   1.487   7.209
  638    HD2  TYR  77           2HD      TYR  77  15.383   1.164   3.696
  639    HE1  TYR  77           1HE      TYR  77  13.134   3.957   7.122
  640    HE2  TYR  77           2HE      TYR  77  15.581   3.636   3.608
  641    HH   TYR  77           HH       TYR  77  14.190   5.681   6.152
  642    H    LYS  78           H        LYS  78  14.108  -3.108   6.430
  643    HA   LYS  78           HA       LYS  78  15.725  -4.732   4.510
  644   1HB   LYS  78          2HB       LYS  78  13.948  -5.660   6.791
  645   2HB   LYS  78          1HB       LYS  78  14.993  -6.679   5.803
  646   1HG   LYS  78          2HG       LYS  78  16.105  -4.347   7.368
  647   2HG   LYS  78          1HG       LYS  78  15.894  -5.931   8.111
  648   1HD   LYS  78          2HD       LYS  78  17.241  -6.899   6.191
  649   2HD   LYS  78          1HD       LYS  78  17.611  -5.242   5.713
  650   1HE   LYS  78          2HE       LYS  78  18.225  -6.470   8.417
  651   2HE   LYS  78          1HE       LYS  78  19.400  -6.171   7.136
  652   1HZ   LYS  78          1HZ       LYS  78  19.534  -4.349   8.594
  653   2HZ   LYS  78          2HZ       LYS  78  17.846  -4.179   8.683
  654   3HZ   LYS  78          3HZ       LYS  78  18.670  -3.785   7.249
  655    H    LEU  79           H        LEU  79  14.588  -6.096   3.031
  656    HA   LEU  79           HA       LEU  79  11.916  -5.061   2.319
  657   1HB   LEU  79          2HB       LEU  79  14.057  -5.772   0.788
  658   2HB   LEU  79          1HB       LEU  79  13.119  -7.263   0.725
  659    HG   LEU  79           HG       LEU  79  12.034  -4.502   0.080
  660   1HD1  LEU  79          1HD1      LEU  79  12.484  -6.762  -1.870
  661   2HD1  LEU  79          2HD1      LEU  79  13.757  -5.592  -1.523
  662   3HD1  LEU  79          3HD1      LEU  79  12.226  -5.050  -2.209
  663   1HD2  LEU  79          1HD2      LEU  79  10.135  -5.898  -0.857
  664   2HD2  LEU  79          2HD2      LEU  79  10.277  -5.939   0.900
  665   3HD2  LEU  79          3HD2      LEU  79  10.861  -7.295  -0.063
  666    H    SER  80           H        SER  80  10.088  -6.098   2.916
  667    HA   SER  80           HA       SER  80  10.117  -9.047   3.260
  668   1HB   SER  80          2HB       SER  80  10.492  -8.434   5.517
  669   2HB   SER  80          1HB       SER  80   9.441  -7.026   5.398
  670    HG   SER  80           HG       SER  80   8.771  -9.344   6.296
  671    H    SER  81           H        SER  81   8.424  -9.762   2.058
  672    HA   SER  81           HA       SER  81   5.933  -8.098   1.993
  673   1HB   SER  81          2HB       SER  81   7.486  -8.160  -0.137
  674   2HB   SER  81          1HB       SER  81   6.765  -9.749  -0.375
  675    HG   SER  81           HG       SER  81   4.812  -8.838  -0.610
  676    H    SER  82           H        SER  82   3.966  -9.358   1.599
  677    HA   SER  82           HA       SER  82   4.101 -12.275   1.660
  678   1HB   SER  82          2HB       SER  82   4.416 -12.152   3.978
  679   2HB   SER  82          1HB       SER  82   3.464 -10.678   4.128
  680    HG   SER  82           HG       SER  82   2.656 -13.344   3.950
  681    H    THR  83           H        THR  83   1.884 -13.215   1.640
  682    HA   THR  83           HA       THR  83   0.015 -11.330   0.317
  683    HB   THR  83           HB       THR  83  -0.938 -13.849  -0.147
  684    HG1  THR  83           1HG      THR  83   1.304 -14.774  -0.768
  685   1HG2  THR  83          1HG2      THR  83   1.212 -12.347  -1.653
  686   2HG2  THR  83          2HG2      THR  83  -0.529 -12.153  -1.853
  687   3HG2  THR  83          3HG2      THR  83   0.251 -13.663  -2.328
  688    H    ASN  84           H        ASN  84  -1.675 -10.662   1.533
  689    HA   ASN  84           HA       ASN  84  -3.185 -12.578   3.154
  690   1HB   ASN  84          2HB       ASN  84  -2.962 -11.143   5.241
  691   2HB   ASN  84          1HB       ASN  84  -1.522 -12.066   4.811
  692   1HD2  ASN  84          1HD2      ASN  84  -2.962  -8.791   4.553
  693   2HD2  ASN  84          2HD2      ASN  84  -1.478  -7.981   4.409
  694    H    THR  85           H        THR  85  -5.248 -11.628   3.878
  695    HA   THR  85           HA       THR  85  -6.324  -9.747   2.010
  696    HB   THR  85           HB       THR  85  -7.805  -9.900   4.531
  697    HG1  THR  85           1HG      THR  85  -7.843 -12.017   4.803
  698   1HG2  THR  85          1HG2      THR  85  -8.269 -10.851   1.696
  699   2HG2  THR  85          2HG2      THR  85  -8.937  -9.417   2.474
  700   3HG2  THR  85          3HG2      THR  85  -9.464 -11.019   2.980
  701    H    ILE  86           H        ILE  86  -7.328  -7.604   2.738
  702    HA   ILE  86           HA       ILE  86  -5.906  -6.330   4.995
  703    HB   ILE  86           HB       ILE  86  -4.583  -4.928   3.772
  704   1HG1  ILE  86          2HG1      ILE  86  -6.487  -3.655   2.850
  705   2HG1  ILE  86          1HG1      ILE  86  -5.244  -3.892   1.630
  706   1HG2  ILE  86          1HG2      ILE  86  -3.869  -5.879   1.592
  707   2HG2  ILE  86          2HG2      ILE  86  -5.255  -6.968   1.630
  708   3HG2  ILE  86          3HG2      ILE  86  -3.987  -7.108   2.850
  709   1HD1  ILE  86          1HD1      ILE  86  -7.076  -6.119   1.548
  710   2HD1  ILE  86          2HD1      ILE  86  -6.697  -4.953   0.285
  711   3HD1  ILE  86          3HD1      ILE  86  -7.976  -4.609   1.444
  712    H    CYS  87           H        CYS  87  -6.851  -4.233   5.554
  713    HA   CYS  87           HA       CYS  87  -9.661  -3.952   4.555
  714   1HB   CYS  87          2HB       CYS  87  -9.154  -4.605   7.041
  715   2HB   CYS  87          1HB       CYS  87  -8.687  -2.919   7.214
  716    H    ILE  88           H        ILE  88 -10.094  -2.004   3.571
  717    HA   ILE  88           HA       ILE  88  -8.348   0.316   4.209
  718    HB   ILE  88           HB       ILE  88  -7.153  -0.215   2.330
  719   1HG1  ILE  88          2HG1      ILE  88  -9.586   0.743   0.815
  720   2HG1  ILE  88          1HG1      ILE  88  -8.611   1.833   1.794
  721   1HG2  ILE  88          1HG2      ILE  88  -9.625  -1.643   1.313
  722   2HG2  ILE  88          2HG2      ILE  88  -8.190  -2.389   2.009
  723   3HG2  ILE  88          3HG2      ILE  88  -8.088  -1.574   0.451
  724   1HD1  ILE  88          1HD1      ILE  88  -8.028   0.682  -0.834
  725   2HD1  ILE  88          2HD1      ILE  88  -6.698   0.485   0.303
  726   3HD1  ILE  88          3HD1      ILE  88  -7.327   2.093  -0.047
  727    H    THR  89           H        THR  89  -9.336   2.366   3.621
  728    HA   THR  89           HA       THR  89 -12.298   2.151   3.538
  729    HB   THR  89           HB       THR  89 -10.373   4.309   4.363
  730    HG1  THR  89           1HG      THR  89 -12.407   2.760   5.512
  731   1HG2  THR  89          1HG2      THR  89 -12.526   5.671   4.771
  732   2HG2  THR  89          2HG2      THR  89 -13.277   4.586   3.603
  733   3HG2  THR  89          3HG2      THR  89 -11.916   5.597   3.119
  734    H    CYS  90           H        CYS  90 -13.364   2.538   1.710
  735    HA   CYS  90           HA       CYS  90 -12.011   4.068  -0.482
  736   1HB   CYS  90          2HB       CYS  90 -12.644   1.508  -0.710
  737   2HB   CYS  90          1HB       CYS  90 -14.264   2.142  -0.984
  738    H    VAL  91           H        VAL  91 -13.827   5.037  -2.013
  739    HA   VAL  91           HA       VAL  91 -16.156   5.958  -0.396
  740    HB   VAL  91           HB       VAL  91 -14.423   7.825  -2.019
  741   1HG1  VAL  91          1HG1      VAL  91 -16.952   8.265  -1.449
  742   2HG1  VAL  91          2HG1      VAL  91 -15.775   9.545  -1.168
  743   3HG1  VAL  91          3HG1      VAL  91 -16.347   8.562   0.180
  744   1HG2  VAL  91          1HG2      VAL  91 -13.661   8.632   0.236
  745   2HG2  VAL  91          2HG2      VAL  91 -13.107   7.004  -0.159
  746   3HG2  VAL  91          3HG2      VAL  91 -14.458   7.231   0.952
  747    H    ASN  92           H        ASN  92 -15.835   7.859  -3.065
  748    HA   ASN  92           HA       ASN  92 -18.094   6.689  -4.405
  749   1HB   ASN  92          2HB       ASN  92 -16.135   8.862  -5.177
  750   2HB   ASN  92          1HB       ASN  92 -17.473   8.378  -6.220
  751   1HD2  ASN  92          1HD2      ASN  92 -18.502   7.879  -3.074
  752   2HD2  ASN  92          2HD2      ASN  92 -19.285   9.362  -2.809
  753    H    GLN  93           H        GLN  93 -16.064   4.773  -4.133
  754    HA   GLN  93           HA       GLN  93 -15.306   2.988  -5.469
  755   1HB   GLN  93          2HB       GLN  93 -15.670   4.672  -7.950
  756   2HB   GLN  93          1HB       GLN  93 -15.682   2.919  -7.799
  757   1HG   GLN  93          2HG       GLN  93 -17.747   3.589  -6.125
  758   2HG   GLN  93          1HG       GLN  93 -17.877   4.856  -7.343
  759   1HE2  GLN  93          1HE2      GLN  93 -16.854   3.226  -9.567
  760   2HE2  GLN  93          2HE2      GLN  93 -18.055   2.081  -9.926
  761    H    LEU  94           H        LEU  94 -13.635   4.773  -4.219
  762    HA   LEU  94           HA       LEU  94 -11.253   4.600  -5.928
  763   1HB   LEU  94          2HB       LEU  94 -12.526   7.177  -5.071
  764   2HB   LEU  94          1HB       LEU  94 -10.770   7.092  -5.099
  765    HG   LEU  94           HG       LEU  94 -12.611   6.502  -7.438
  766   1HD1  LEU  94          1HD1      LEU  94 -10.722   8.798  -6.861
  767   2HD1  LEU  94          2HD1      LEU  94 -12.482   8.884  -6.929
  768   3HD1  LEU  94          3HD1      LEU  94 -11.559   8.545  -8.393
  769   1HD2  LEU  94          1HD2      LEU  94 -10.129   6.766  -8.509
  770   2HD2  LEU  94          2HD2      LEU  94 -10.819   5.211  -8.058
  771   3HD2  LEU  94          3HD2      LEU  94  -9.714   6.033  -6.960
  772    HA   PRO  95           HA       PRO  95 -10.097   3.557  -1.677
  773   1HB   PRO  95          2HB       PRO  95  -7.639   2.522  -2.230
  774   2HB   PRO  95          1HB       PRO  95  -9.144   1.640  -2.558
  775   1HG   PRO  95          2HG       PRO  95  -7.384   3.141  -4.429
  776   2HG   PRO  95          1HG       PRO  95  -8.245   1.611  -4.668
  777   1HD   PRO  95          2HD       PRO  95  -9.137   4.039  -5.628
  778   2HD   PRO  95          1HD       PRO  95 -10.205   2.661  -5.278
  779    H    ILE  96           H        ILE  96  -9.148   4.918  -0.134
  780    HA   ILE  96           HA       ILE  96  -6.834   6.570  -1.020
  781    HB   ILE  96           HB       ILE  96  -7.877   8.574   0.025
  782   1HG1  ILE  96          2HG1      ILE  96 -10.561   8.146   0.077
  783   2HG1  ILE  96          1HG1      ILE  96 -10.011   6.549   0.575
  784   1HG2  ILE  96          1HG2      ILE  96  -8.126   7.755  -2.475
  785   2HG2  ILE  96          2HG2      ILE  96  -9.060   9.134  -1.905
  786   3HG2  ILE  96          3HG2      ILE  96  -9.817   7.546  -2.029
  787   1HD1  ILE  96          1HD1      ILE  96 -10.134   7.611   2.625
  788   2HD1  ILE  96          2HD1      ILE  96  -9.695   9.182   1.958
  789   3HD1  ILE  96          3HD1      ILE  96  -8.457   7.953   2.203
  790    H    HIS  97           H        HIS  97  -8.444   4.861   1.615
  791    HA   HIS  97           HA       HIS  97  -6.167   5.787   3.352
  792   1HB   HIS  97          2HB       HIS  97  -9.005   5.981   3.813
  793   2HB   HIS  97          1HB       HIS  97  -8.290   4.927   5.031
  794    HD1  HIS  97           1HD      HIS  97  -5.634   6.177   5.598
  795    HD2  HIS  97           2HD      HIS  97  -9.045   8.491   4.960
  796    HE1  HIS  97           1HE      HIS  97  -5.186   8.428   6.673
  797    HE2  HIS  97           2HE      HIS  97  -7.255   9.844   6.290
  798    H    PHE  98           H        PHE  98  -4.833   4.179   3.875
  799    HA   PHE  98           HA       PHE  98  -5.691   1.371   3.547
  800   1HB   PHE  98          2HB       PHE  98  -3.508   1.939   2.659
  801   2HB   PHE  98          1HB       PHE  98  -3.017   2.648   4.196
  802    HD1  PHE  98           1HD      PHE  98  -1.875   1.331   5.761
  803    HD2  PHE  98           2HD      PHE  98  -4.258  -0.575   2.736
  804    HE1  PHE  98           1HE      PHE  98  -1.064  -0.886   6.518
  805    HE2  PHE  98           2HE      PHE  98  -3.448  -2.792   3.496
  806    HZ   PHE  98           HZ       PHE  98  -1.849  -2.948   5.386
  807    H    ALA  99           H        ALA  99  -6.615   0.374   5.265
  808    HA   ALA  99           HA       ALA  99  -6.542   1.457   7.932
  809   1HB   ALA  99          1HB       ALA  99  -7.982  -0.285   8.495
  810   2HB   ALA  99          2HB       ALA  99  -7.196  -1.419   7.401
  811   3HB   ALA  99          3HB       ALA  99  -8.259  -0.168   6.759
  812    H    GLY 100           H        GLY 100  -5.427  -1.812   6.983
  813   1HA   GLY 100          2HA       GLY 100  -2.765  -1.435   8.030
  814   2HA   GLY 100          1HA       GLY 100  -3.785  -2.263   9.206
  815    H    VAL 101           H        VAL 101  -2.357  -4.142   8.889
  816    HA   VAL 101           HA       VAL 101  -2.607  -5.498   6.253
  817    HB   VAL 101           HB       VAL 101  -1.037  -6.431   8.666
  818   1HG1  VAL 101          1HG1      VAL 101   0.260  -7.632   6.957
  819   2HG1  VAL 101          2HG1      VAL 101  -0.746  -6.935   5.688
  820   3HG1  VAL 101          3HG1      VAL 101  -1.446  -8.066   6.846
  821   1HG2  VAL 101          1HG2      VAL 101  -0.213  -4.565   6.419
  822   2HG2  VAL 101          2HG2      VAL 101   0.916  -5.328   7.539
  823   3HG2  VAL 101          3HG2      VAL 101  -0.279  -4.177   8.138
  824    H    GLY 102           H        GLY 102  -3.649  -7.490   6.031
  825   1HA   GLY 102          2HA       GLY 102  -4.957  -9.357   6.661
  826   2HA   GLY 102          1HA       GLY 102  -4.674  -8.941   8.349
  827    H    SER 103           H        SER 103  -7.161  -9.646   8.030
  828    HA   SER 103           HA       SER 103  -8.945  -7.614   7.015
  829   1HB   SER 103          2HB       SER 103  -9.581  -9.746   9.069
  830   2HB   SER 103          1HB       SER 103 -10.714  -8.925   8.000
  831    HG   SER 103           HG       SER 103  -8.973 -11.009   7.509
  832    H    CYS 104           H        CYS 104 -10.304  -6.199   8.280
  833    HA   CYS 104           HA       CYS 104  -8.919  -5.145  10.660
  834   1HB   CYS 104          2HB       CYS 104 -10.918  -3.448  10.470
  835   2HB   CYS 104          1HB       CYS 104  -9.622  -3.388   9.278
  836    HA   PRO 105           HA       PRO 105 -11.240  -6.951  13.948
  837   1HB   PRO 105          2HB       PRO 105 -12.234  -4.163  14.466
  838   2HB   PRO 105          1HB       PRO 105 -11.597  -5.359  15.613
  839   1HG   PRO 105          2HG       PRO 105 -10.111  -3.314  14.702
  840   2HG   PRO 105          1HG       PRO 105  -9.417  -4.896  15.096
  841   1HD   PRO 105          2HD       PRO 105  -9.763  -3.639  12.450
  842   2HD   PRO 105          1HD       PRO 105  -8.731  -5.007  12.918
  Start of MODEL    8
    1    HN   PCA   1           H        PCA   1  -6.732   8.979   1.575
    2    HA   PCA   1           HA       PCA   1  -8.191  11.039   2.272
    3   1HB   PCA   1          1HB       PCA   1  -6.845  12.415   3.488
    4   2HB   PCA   1          2HB       PCA   1  -6.222  12.977   1.954
    5   1HG   PCA   1          1HG       PCA   1  -4.855  11.655   3.821
    6   2HG   PCA   1          2HG       PCA   1  -4.457  11.707   2.089
    7    H    ASP   2           H        ASP   2  -6.222   9.871  -0.157
    8    HA   ASP   2           HA       ASP   2  -7.885  11.059  -2.197
    9   1HB   ASP   2          2HB       ASP   2  -5.181  12.234  -1.629
   10   2HB   ASP   2          1HB       ASP   2  -5.708  12.111  -3.308
   11    H    TRP   3           H        TRP   3  -7.940   9.548  -3.796
   12    HA   TRP   3           HA       TRP   3  -6.489   7.152  -3.720
   13   1HB   TRP   3          2HB       TRP   3  -8.381   7.079  -5.081
   14   2HB   TRP   3          1HB       TRP   3  -7.988   8.596  -5.881
   15    HD1  TRP   3           HD       TRP   3  -7.654   8.042  -8.313
   16    HE1  TRP   3           1HE      TRP   3  -6.288   6.320  -9.655
   17    HE3  TRP   3           3HE      TRP   3  -5.820   5.169  -4.489
   18    HZ2  TRP   3           2HZ      TRP   3  -4.648   4.035  -9.181
   19    HZ3  TRP   3           3HZ      TRP   3  -4.364   3.231  -4.974
   20    HH2  TRP   3           HH       TRP   3  -3.775   2.659  -7.314
   21    H    GLU   4           H        GLU   4  -5.564  10.252  -5.053
   22    HA   GLU   4           HA       GLU   4  -3.417   9.372  -6.725
   23   1HB   GLU   4          2HB       GLU   4  -3.714  11.943  -5.138
   24   2HB   GLU   4          1HB       GLU   4  -2.516  11.675  -6.405
   25   1HG   GLU   4          2HG       GLU   4  -5.502  11.399  -6.838
   26   2HG   GLU   4          1HG       GLU   4  -4.596  12.872  -7.189
   27    H    THR   5           H        THR   5  -2.811  11.096  -3.657
   28    HA   THR   5           HA       THR   5  -0.249  10.042  -3.228
   29    HB   THR   5           HB       THR   5  -1.146  11.857  -1.858
   30    HG1  THR   5           1HG      THR   5  -0.002   9.606  -0.864
   31   1HG2  THR   5          1HG2      THR   5  -3.469  10.684  -1.753
   32   2HG2  THR   5          2HG2      THR   5  -2.935  11.614  -0.354
   33   3HG2  THR   5          3HG2      THR   5  -2.807   9.855  -0.345
   34    H    PHE   6           H        PHE   6  -3.355   8.767  -2.002
   35    HA   PHE   6           HA       PHE   6  -2.413   6.515  -0.632
   36   1HB   PHE   6          2HB       PHE   6  -4.855   7.349  -1.032
   37   2HB   PHE   6          1HB       PHE   6  -4.800   6.325  -2.465
   38    HD1  PHE   6           1HD      PHE   6  -5.000   3.963  -2.303
   39    HD2  PHE   6           2HD      PHE   6  -4.410   6.314   1.243
   40    HE1  PHE   6           1HE      PHE   6  -5.473   1.972  -0.905
   41    HE2  PHE   6           2HE      PHE   6  -4.882   4.322   2.640
   42    HZ   PHE   6           HZ       PHE   6  -5.416   2.151   1.565
   43    H    GLN   7           H        GLN   7  -2.388   7.200  -4.034
   44    HA   GLN   7           HA       GLN   7  -1.800   4.395  -4.743
   45   1HB   GLN   7          2HB       GLN   7  -3.201   5.830  -6.244
   46   2HB   GLN   7          1HB       GLN   7  -1.800   6.863  -6.508
   47   1HG   GLN   7          2HG       GLN   7  -1.600   3.900  -6.999
   48   2HG   GLN   7          1HG       GLN   7  -2.308   4.955  -8.221
   49   1HE2  GLN   7          1HE2      GLN   7  -0.769   7.198  -8.240
   50   2HE2  GLN   7          2HE2      GLN   7   0.863   6.834  -8.529
   51    H    LYS   8           H        LYS   8  -0.149   7.342  -3.978
   52    HA   LYS   8           HA       LYS   8   2.356   6.472  -5.274
   53   1HB   LYS   8          2HB       LYS   8   1.852   8.863  -3.488
   54   2HB   LYS   8          1HB       LYS   8   3.239   8.611  -4.544
   55   1HG   LYS   8          2HG       LYS   8   0.673   8.369  -5.968
   56   2HG   LYS   8          1HG       LYS   8   0.898   9.954  -5.238
   57   1HD   LYS   8          2HD       LYS   8   1.833  10.022  -7.467
   58   2HD   LYS   8          1HD       LYS   8   3.168  10.063  -6.319
   59   1HE   LYS   8          2HE       LYS   8   2.216   7.415  -7.386
   60   2HE   LYS   8          1HE       LYS   8   3.274   8.423  -8.372
   61   1HZ   LYS   8          1HZ       LYS   8   4.412   8.479  -5.896
   62   2HZ   LYS   8          2HZ       LYS   8   4.934   7.546  -7.215
   63   3HZ   LYS   8          3HZ       LYS   8   3.894   6.872  -6.054
   64    H    LYS   9           H        LYS   9   1.331   7.198  -1.901
   65    HA   LYS   9           HA       LYS   9   3.826   5.975  -0.922
   66   1HB   LYS   9          2HB       LYS   9   3.008   6.666   1.311
   67   2HB   LYS   9          1HB       LYS   9   3.024   8.007   0.166
   68   1HG   LYS   9          2HG       LYS   9   0.560   7.396  -0.300
   69   2HG   LYS   9          1HG       LYS   9   0.652   6.435   1.177
   70   1HD   LYS   9          2HD       LYS   9   1.486   8.499   2.367
   71   2HD   LYS   9          1HD       LYS   9   1.125   9.414   0.904
   72   1HE   LYS   9          2HE       LYS   9  -0.778   8.019   2.772
   73   2HE   LYS   9          1HE       LYS   9  -0.838   9.674   2.166
   74   1HZ   LYS   9          1HZ       LYS   9  -1.315   8.817  -0.038
   75   2HZ   LYS   9          2HZ       LYS   9  -2.476   8.275   1.078
   76   3HZ   LYS   9          3HZ       LYS   9  -1.254   7.224   0.541
   77    H    HIS  10           H        HIS  10   0.314   5.317  -0.473
   78    HA   HIS  10           HA       HIS  10   0.867   2.884   1.009
   79   1HB   HIS  10          2HB       HIS  10  -1.626   4.052  -0.217
   80   2HB   HIS  10          1HB       HIS  10  -1.629   2.453   0.523
   81    HD1  HIS  10           1HD      HIS  10  -0.463   2.491   3.075
   82    HD2  HIS  10           2HD      HIS  10  -2.117   6.040   1.636
   83    HE1  HIS  10           1HE      HIS  10  -0.851   3.973   5.094
   84    HE2  HIS  10           2HE      HIS  10  -1.858   6.134   4.230
   85    H    LEU  11           H        LEU  11   0.959   3.573  -2.341
   86    HA   LEU  11           HA       LEU  11   0.897   0.625  -2.906
   87   1HB   LEU  11          2HB       LEU  11  -0.714   2.785  -4.058
   88   2HB   LEU  11          1HB       LEU  11   0.139   1.868  -5.291
   89    HG   LEU  11           HG       LEU  11  -0.766  -0.229  -4.076
   90   1HD1  LEU  11          1HD1      LEU  11  -1.519   0.887  -2.032
   91   2HD1  LEU  11          2HD1      LEU  11  -2.906   0.197  -2.865
   92   3HD1  LEU  11          3HD1      LEU  11  -2.589   1.928  -2.964
   93   1HD2  LEU  11          1HD2      LEU  11  -3.030   0.096  -5.207
   94   2HD2  LEU  11          2HD2      LEU  11  -1.615   0.331  -6.233
   95   3HD2  LEU  11          3HD2      LEU  11  -2.490   1.726  -5.602
   96    H    THR  12           H        THR  12   2.275  -0.044  -4.653
   97    HA   THR  12           HA       THR  12   4.211   2.014  -5.618
   98    HB   THR  12           HB       THR  12   5.428   0.984  -3.832
   99    HG1  THR  12           1HG      THR  12   6.998   0.850  -5.184
  100   1HG2  THR  12          1HG2      THR  12   3.826  -1.306  -4.464
  101   2HG2  THR  12          2HG2      THR  12   4.914  -1.083  -3.096
  102   3HG2  THR  12          3HG2      THR  12   5.522  -1.768  -4.599
  103    H    ASP  13           H        ASP  13   5.821   0.179  -7.089
  104    HA   ASP  13           HA       ASP  13   3.801  -0.851  -9.052
  105   1HB   ASP  13          2HB       ASP  13   5.132   1.196  -9.742
  106   2HB   ASP  13          1HB       ASP  13   6.567   0.171  -9.717
  107    H    THR  14           H        THR  14   5.919  -2.003  -6.822
  108    HA   THR  14           HA       THR  14   6.317  -4.472  -8.419
  109    HB   THR  14           HB       THR  14   8.364  -3.092  -8.764
  110    HG1  THR  14           1HG      THR  14   8.425  -5.410  -8.617
  111   1HG2  THR  14          1HG2      THR  14   8.174  -1.963  -6.506
  112   2HG2  THR  14          2HG2      THR  14   9.791  -2.534  -6.915
  113   3HG2  THR  14          3HG2      THR  14   8.790  -3.453  -5.792
  114    H    LYS  15           H        LYS  15   6.805  -6.330  -7.087
  115    HA   LYS  15           HA       LYS  15   5.518  -6.222  -4.483
  116   1HB   LYS  15          2HB       LYS  15   6.386  -8.664  -4.408
  117   2HB   LYS  15          1HB       LYS  15   5.204  -8.256  -5.653
  118   1HG   LYS  15          2HG       LYS  15   6.867  -8.133  -7.347
  119   2HG   LYS  15          1HG       LYS  15   8.176  -8.091  -6.166
  120   1HD   LYS  15          2HD       LYS  15   8.078 -10.321  -7.127
  121   2HD   LYS  15          1HD       LYS  15   7.534 -10.407  -5.451
  122   1HE   LYS  15          2HE       LYS  15   5.246 -10.553  -6.092
  123   2HE   LYS  15          1HE       LYS  15   5.600 -10.056  -7.747
  124   1HZ   LYS  15          1HZ       LYS  15   6.066 -12.644  -6.442
  125   2HZ   LYS  15          2HZ       LYS  15   7.097 -12.163  -7.704
  126   3HZ   LYS  15          3HZ       LYS  15   5.427 -12.313  -7.976
  127    H    LYS  16           H        LYS  16   8.776  -6.029  -5.672
  128    HA   LYS  16           HA       LYS  16   9.800  -6.096  -2.857
  129   1HB   LYS  16          2HB       LYS  16  12.035  -6.582  -3.963
  130   2HB   LYS  16          1HB       LYS  16  10.843  -7.873  -4.093
  131   1HG   LYS  16          2HG       LYS  16  10.198  -6.830  -6.355
  132   2HG   LYS  16          1HG       LYS  16  11.688  -5.897  -6.218
  133   1HD   LYS  16          2HD       LYS  16  12.850  -8.161  -5.793
  134   2HD   LYS  16          1HD       LYS  16  11.367  -8.891  -6.408
  135   1HE   LYS  16          2HE       LYS  16  13.031  -8.594  -8.213
  136   2HE   LYS  16          1HE       LYS  16  11.591  -7.617  -8.502
  137   1HZ   LYS  16          1HZ       LYS  16  12.689  -5.683  -7.801
  138   2HZ   LYS  16          2HZ       LYS  16  13.804  -6.477  -8.807
  139   3HZ   LYS  16          3HZ       LYS  16  13.979  -6.546  -7.119
  140    H    VAL  17           H        VAL  17   8.910  -3.762  -3.057
  141    HA   VAL  17           HA       VAL  17  10.013  -1.791  -4.717
  142    HB   VAL  17           HB       VAL  17   9.578  -0.192  -2.879
  143   1HG1  VAL  17          1HG1      VAL  17   7.140  -0.961  -2.489
  144   2HG1  VAL  17          2HG1      VAL  17   7.560  -2.324  -3.528
  145   3HG1  VAL  17          3HG1      VAL  17   7.670  -0.679  -4.144
  146   1HG2  VAL  17          1HG2      VAL  17   9.398  -2.758  -1.313
  147   2HG2  VAL  17          2HG2      VAL  17   8.479  -1.344  -0.796
  148   3HG2  VAL  17          3HG2      VAL  17  10.238  -1.264  -0.901
  149    H    LYS  18           H        LYS  18  11.602  -0.095  -4.043
  150    HA   LYS  18           HA       LYS  18  14.017  -1.432  -2.952
  151   1HB   LYS  18          2HB       LYS  18  15.207   0.603  -3.875
  152   2HB   LYS  18          1HB       LYS  18  14.406  -0.378  -5.099
  153   1HG   LYS  18          2HG       LYS  18  12.861   1.871  -3.848
  154   2HG   LYS  18          1HG       LYS  18  14.090   2.266  -5.045
  155   1HD   LYS  18          2HD       LYS  18  12.206   0.057  -5.735
  156   2HD   LYS  18          1HD       LYS  18  11.552   1.693  -5.727
  157   1HE   LYS  18          2HE       LYS  18  12.414   1.092  -7.961
  158   2HE   LYS  18          1HE       LYS  18  13.336   2.423  -7.262
  159   1HZ   LYS  18          1HZ       LYS  18  15.109   1.024  -6.754
  160   2HZ   LYS  18          2HZ       LYS  18  14.628   0.516  -8.302
  161   3HZ   LYS  18          3HZ       LYS  18  14.186  -0.387  -6.932
  162    H    CYS  19           H        CYS  19  12.647  -1.175  -0.879
  163    HA   CYS  19           HA       CYS  19  11.871   0.935   0.535
  164   1HB   CYS  19          2HB       CYS  19  13.845  -1.160   1.446
  165   2HB   CYS  19          1HB       CYS  19  13.126   0.008   2.552
  166    H    ASP  20           H        ASP  20  15.304   0.395  -0.231
  167    HA   ASP  20           HA       ASP  20  16.487   2.403   1.325
  168   1HB   ASP  20          2HB       ASP  20  17.874   0.922   0.019
  169   2HB   ASP  20          1HB       ASP  20  17.154   1.493  -1.486
  170    H    VAL  21           H        VAL  21  14.902   2.697  -1.837
  171    HA   VAL  21           HA       VAL  21  15.098   5.660  -1.623
  172    HB   VAL  21           HB       VAL  21  13.881   4.316  -3.993
  173   1HG1  VAL  21          1HG1      VAL  21  16.016   6.441  -3.960
  174   2HG1  VAL  21          2HG1      VAL  21  14.345   6.854  -3.586
  175   3HG1  VAL  21          3HG1      VAL  21  14.750   6.164  -5.156
  176   1HG2  VAL  21          1HG2      VAL  21  16.173   3.909  -4.929
  177   2HG2  VAL  21          2HG2      VAL  21  15.782   2.854  -3.571
  178   3HG2  VAL  21          3HG2      VAL  21  16.839   4.244  -3.330
  179    H    GLU  22           H        GLU  22  12.803   2.965  -1.812
  180    HA   GLU  22           HA       GLU  22  10.398   4.434  -2.074
  181   1HB   GLU  22          2HB       GLU  22  11.060   1.766  -1.626
  182   2HB   GLU  22          1HB       GLU  22  10.173   2.219  -0.171
  183   1HG   GLU  22          2HG       GLU  22   8.502   1.481  -1.685
  184   2HG   GLU  22          1HG       GLU  22   8.424   3.241  -1.755
  185    H    MET  23           H        MET  23  12.727   4.650   0.285
  186    HA   MET  23           HA       MET  23  10.796   5.862   2.231
  187   1HB   MET  23          2HB       MET  23  13.402   4.464   2.900
  188   2HB   MET  23          1HB       MET  23  12.217   5.094   4.044
  189   1HG   MET  23          2HG       MET  23  11.349   3.065   2.001
  190   2HG   MET  23          1HG       MET  23  12.212   2.530   3.440
  191   1HE   MET  23          1HE       MET  23  11.353   2.189   5.576
  192   2HE   MET  23          2HE       MET  23  10.007   3.021   6.349
  193   3HE   MET  23          3HE       MET  23  11.447   3.925   5.894
  194    H    ALA  24           H        ALA  24  14.181   5.869   1.085
  195    HA   ALA  24           HA       ALA  24  14.783   8.412   2.335
  196   1HB   ALA  24          1HB       ALA  24  16.532   6.749   1.774
  197   2HB   ALA  24          2HB       ALA  24  16.859   8.313   1.028
  198   3HB   ALA  24          3HB       ALA  24  16.200   6.995   0.060
  199    H    LYS  25           H        LYS  25  12.669   7.801  -0.064
  200    HA   LYS  25           HA       LYS  25  13.292   9.526  -2.204
  201   1HB   LYS  25          2HB       LYS  25  10.753   8.586  -0.933
  202   2HB   LYS  25          1HB       LYS  25  10.640   9.922  -2.070
  203   1HG   LYS  25          2HG       LYS  25  11.124   8.611  -3.873
  204   2HG   LYS  25          1HG       LYS  25  12.318   7.663  -2.994
  205   1HD   LYS  25          2HD       LYS  25  10.556   6.149  -3.441
  206   2HD   LYS  25          1HD       LYS  25  10.333   6.608  -1.752
  207   1HE   LYS  25          2HE       LYS  25   8.621   8.223  -2.366
  208   2HE   LYS  25          1HE       LYS  25   8.904   7.923  -4.081
  209   1HZ   LYS  25          1HZ       LYS  25   7.034   6.651  -3.479
  210   2HZ   LYS  25          2HZ       LYS  25   7.780   6.060  -2.071
  211   3HZ   LYS  25          3HZ       LYS  25   8.317   5.547  -3.599
  212    H    ALA  26           H        ALA  26  11.463  11.570  -2.329
  213    HA   ALA  26           HA       ALA  26  12.476  13.437  -0.239
  214   1HB   ALA  26          1HB       ALA  26  11.525  15.181  -1.841
  215   2HB   ALA  26          2HB       ALA  26  11.256  13.859  -2.977
  216   3HB   ALA  26          3HB       ALA  26  12.894  14.252  -2.451
  217    H    LEU  27           H        LEU  27   9.703  11.661  -1.127
  218    HA   LEU  27           HA       LEU  27   7.861  13.555   0.242
  219   1HB   LEU  27          2HB       LEU  27   6.081  12.379  -0.755
  220   2HB   LEU  27          1HB       LEU  27   7.332  12.346  -1.991
  221    HG   LEU  27           HG       LEU  27   8.035  10.085  -0.820
  222   1HD1  LEU  27          1HD1      LEU  27   5.458  10.727   0.459
  223   2HD1  LEU  27          2HD1      LEU  27   6.684   9.553   0.924
  224   3HD1  LEU  27          3HD1      LEU  27   5.484   9.132  -0.291
  225   1HD2  LEU  27          1HD2      LEU  27   6.266   8.915  -2.288
  226   2HD2  LEU  27          2HD2      LEU  27   7.340  10.059  -3.091
  227   3HD2  LEU  27          3HD2      LEU  27   5.693  10.536  -2.678
  228    H    PHE  28           H        PHE  28   9.919  11.125   1.095
  229    HA   PHE  28           HA       PHE  28   8.159  10.230   3.354
  230   1HB   PHE  28          2HB       PHE  28  10.238   8.812   1.721
  231   2HB   PHE  28          1HB       PHE  28  10.030   8.342   3.404
  232    HD1  PHE  28           1HD      PHE  28   8.989   7.606   0.162
  233    HD2  PHE  28           2HD      PHE  28   7.401   8.185   4.111
  234    HE1  PHE  28           1HE      PHE  28   6.990   6.274  -0.446
  235    HE2  PHE  28           2HE      PHE  28   5.402   6.853   3.501
  236    HZ   PHE  28           HZ       PHE  28   5.197   5.897   1.223
  237    H    ASP  29           H        ASP  29  11.534  10.994   2.464
  238    HA   ASP  29           HA       ASP  29  13.113  12.235   3.699
  239   1HB   ASP  29          2HB       ASP  29  10.855  13.194   4.775
  240   2HB   ASP  29          1HB       ASP  29  11.423  12.275   6.167
  241    H    CYS  30           H        CYS  30  13.009   9.368   3.595
  242    HA   CYS  30           HA       CYS  30  13.954   7.498   4.653
  243   1HB   CYS  30          2HB       CYS  30  15.869   9.134   4.670
  244   2HB   CYS  30          1HB       CYS  30  15.387   9.599   6.301
  245    H    LYS  31           H        LYS  31  11.532   7.587   5.637
  246    HA   LYS  31           HA       LYS  31  11.199   8.249   8.399
  247   1HB   LYS  31          2HB       LYS  31   9.794   6.016   6.911
  248   2HB   LYS  31          1HB       LYS  31   9.199   6.880   8.321
  249   1HG   LYS  31          2HG       LYS  31   9.703   8.087   5.587
  250   2HG   LYS  31          1HG       LYS  31   8.123   7.694   6.254
  251   1HD   LYS  31          2HD       LYS  31  10.070   9.787   7.259
  252   2HD   LYS  31          1HD       LYS  31   8.474  10.053   6.566
  253   1HE   LYS  31          2HE       LYS  31   7.634   8.554   8.538
  254   2HE   LYS  31          1HE       LYS  31   9.185   8.956   9.276
  255   1HZ   LYS  31          1HZ       LYS  31   8.689  11.246   9.181
  256   2HZ   LYS  31          2HZ       LYS  31   7.309  10.490   9.820
  257   3HZ   LYS  31          3HZ       LYS  31   7.328  10.998   8.198
  258    H    LYS  32           H        LYS  32  10.134   5.430   8.991
  259    HA   LYS  32           HA       LYS  32  12.710   4.018   9.488
  260   1HB   LYS  32          2HB       LYS  32  10.670   4.855  11.556
  261   2HB   LYS  32          1HB       LYS  32  11.785   3.517  11.836
  262   1HG   LYS  32          2HG       LYS  32  13.698   4.959  11.561
  263   2HG   LYS  32          1HG       LYS  32  12.679   6.295  11.027
  264   1HD   LYS  32          2HD       LYS  32  13.324   6.586  13.387
  265   2HD   LYS  32          1HD       LYS  32  11.583   6.340  13.243
  266   1HE   LYS  32          2HE       LYS  32  11.691   4.154  14.081
  267   2HE   LYS  32          1HE       LYS  32  13.401   3.981  13.685
  268   1HZ   LYS  32          1HZ       LYS  32  14.025   5.321  15.466
  269   2HZ   LYS  32          2HZ       LYS  32  12.784   4.354  16.108
  270   3HZ   LYS  32          3HZ       LYS  32  12.469   5.965  15.667
  271    H    THR  33           H        THR  33   9.169   3.941   9.514
  272    HA   THR  33           HA       THR  33   9.299   1.058   8.728
  273    HB   THR  33           HB       THR  33   8.596   1.287  11.125
  274    HG1  THR  33           1HG      THR  33   7.301  -0.312  10.754
  275   1HG2  THR  33          1HG2      THR  33   7.492   3.557  10.674
  276   2HG2  THR  33          2HG2      THR  33   6.610   2.448  11.725
  277   3HG2  THR  33          3HG2      THR  33   6.125   2.642  10.040
  278    H    ASN  34           H        ASN  34   7.709   0.479   7.150
  279    HA   ASN  34           HA       ASN  34   5.644   2.401   6.391
  280   1HB   ASN  34          2HB       ASN  34   7.890   3.221   5.405
  281   2HB   ASN  34          1HB       ASN  34   7.747   1.851   4.303
  282   1HD2  ASN  34          1HD2      ASN  34   5.444   1.727   3.204
  283   2HD2  ASN  34          2HD2      ASN  34   4.788   3.206   2.691
  284    H    THR  35           H        THR  35   4.205   1.560   4.817
  285    HA   THR  35           HA       THR  35   4.674  -1.251   3.944
  286    HB   THR  35           HB       THR  35   2.168  -0.192   5.291
  287    HG1  THR  35           1HG      THR  35   3.910  -0.817   6.661
  288   1HG2  THR  35          1HG2      THR  35   1.465  -2.640   5.023
  289   2HG2  THR  35          2HG2      THR  35   2.773  -2.775   3.848
  290   3HG2  THR  35          3HG2      THR  35   1.441  -1.655   3.561
  291    H    PHE  36           H        PHE  36   3.448  -1.801   2.022
  292    HA   PHE  36           HA       PHE  36   1.917   0.382   0.729
  293   1HB   PHE  36          2HB       PHE  36   3.932  -0.863  -1.069
  294   2HB   PHE  36          1HB       PHE  36   3.307   0.777  -1.059
  295    HD1  PHE  36           1HD      PHE  36   4.789   2.465  -0.463
  296    HD2  PHE  36           2HD      PHE  36   5.359  -1.473   1.140
  297    HE1  PHE  36           1HE      PHE  36   6.867   3.221   0.654
  298    HE2  PHE  36           2HE      PHE  36   7.434  -0.719   2.263
  299    HZ   PHE  36           HZ       PHE  36   8.190   1.626   2.012
  300    H    ILE  37           H        ILE  37   1.152  -0.573  -1.548
  301    HA   ILE  37           HA       ILE  37   0.571  -3.481  -1.152
  302    HB   ILE  37           HB       ILE  37  -1.326  -1.425  -2.303
  303   1HG1  ILE  37          2HG1      ILE  37  -1.655  -2.758   0.381
  304   2HG1  ILE  37          1HG1      ILE  37  -0.702  -1.284   0.243
  305   1HG2  ILE  37          1HG2      ILE  37  -1.547  -4.350  -1.583
  306   2HG2  ILE  37          2HG2      ILE  37  -1.844  -3.593  -3.149
  307   3HG2  ILE  37          3HG2      ILE  37  -2.964  -3.325  -1.812
  308   1HD1  ILE  37          1HD1      ILE  37  -3.361  -1.259   0.677
  309   2HD1  ILE  37          2HD1      ILE  37  -3.361  -1.246  -1.085
  310   3HD1  ILE  37          3HD1      ILE  37  -2.524   0.024  -0.193
  311    H    TYR  38           H        TYR  38   1.095  -4.737  -2.861
  312    HA   TYR  38           HA       TYR  38   2.053  -3.378  -5.319
  313   1HB   TYR  38          2HB       TYR  38   3.491  -5.117  -4.442
  314   2HB   TYR  38          1HB       TYR  38   2.157  -6.266  -4.408
  315    HD1  TYR  38           1HD      TYR  38   3.653  -3.884  -6.903
  316    HD2  TYR  38           2HD      TYR  38   2.175  -7.841  -6.119
  317    HE1  TYR  38           1HE      TYR  38   4.141  -4.531  -9.247
  318    HE2  TYR  38           2HE      TYR  38   2.665  -8.488  -8.462
  319    HH   TYR  38           HH       TYR  38   4.660  -6.920 -10.422
  320    H    ALA  39           H        ALA  39   0.266  -2.793  -6.533
  321    HA   ALA  39           HA       ALA  39  -1.294  -5.002  -7.714
  322   1HB   ALA  39          1HB       ALA  39  -2.749  -4.530  -5.883
  323   2HB   ALA  39          2HB       ALA  39  -3.446  -3.681  -7.264
  324   3HB   ALA  39          3HB       ALA  39  -2.521  -2.790  -6.056
  325    H    LEU  40           H        LEU  40  -2.226  -4.389  -9.745
  326    HA   LEU  40           HA       LEU  40  -0.927  -2.046 -10.940
  327   1HB   LEU  40          2HB       LEU  40  -1.210  -3.100 -12.948
  328   2HB   LEU  40          1HB       LEU  40  -1.422  -4.508 -11.917
  329    HG   LEU  40           HG       LEU  40  -3.973  -3.687 -11.942
  330   1HD1  LEU  40          1HD1      LEU  40  -4.604  -2.613 -13.963
  331   2HD1  LEU  40          2HD1      LEU  40  -3.024  -2.879 -14.693
  332   3HD1  LEU  40          3HD1      LEU  40  -3.210  -1.698 -13.401
  333   1HD2  LEU  40          1HD2      LEU  40  -4.304  -5.203 -13.913
  334   2HD2  LEU  40          2HD2      LEU  40  -3.250  -5.888 -12.676
  335   3HD2  LEU  40          3HD2      LEU  40  -2.556  -5.208 -14.148
  336    HA   PRO  41           HA       PRO  41  -3.979   1.075 -10.453
  337   1HB   PRO  41          2HB       PRO  41  -4.099   1.177 -13.436
  338   2HB   PRO  41          1HB       PRO  41  -3.849   2.490 -12.271
  339   1HG   PRO  41          2HG       PRO  41  -1.863   1.305 -13.743
  340   2HG   PRO  41          1HG       PRO  41  -1.614   2.179 -12.226
  341   1HD   PRO  41          2HD       PRO  41  -1.279  -0.658 -12.733
  342   2HD   PRO  41          1HD       PRO  41  -0.929   0.244 -11.245
  343    H    GLY  42           H        GLY  42  -4.770  -0.889 -13.344
  344   1HA   GLY  42          2HA       GLY  42  -7.557  -0.560 -13.271
  345   2HA   GLY  42          1HA       GLY  42  -6.770  -1.996 -13.919
  346    H    ARG  43           H        ARG  43  -5.693  -3.202 -11.740
  347    HA   ARG  43           HA       ARG  43  -7.929  -4.447 -10.492
  348   1HB   ARG  43          2HB       ARG  43  -4.964  -4.464  -9.976
  349   2HB   ARG  43          1HB       ARG  43  -6.059  -5.283  -8.864
  350   1HG   ARG  43          2HG       ARG  43  -6.351  -5.796 -11.809
  351   2HG   ARG  43          1HG       ARG  43  -5.035  -6.582 -10.939
  352   1HD   ARG  43          2HD       ARG  43  -6.663  -7.498  -9.313
  353   2HD   ARG  43          1HD       ARG  43  -7.976  -6.736 -10.210
  354    HE   ARG  43           HE       ARG  43  -6.431  -8.395 -11.973
  355   1HH1  ARG  43          1HH2      ARG  43  -8.684  -8.450  -9.364
  356   2HH1  ARG  43          2HH2      ARG  43  -9.376  -9.971  -9.818
  357   1HH2  ARG  43          1HH1      ARG  43  -7.322 -10.382 -12.582
  358   2HH2  ARG  43          2HH1      ARG  43  -8.606 -11.065 -11.640
  359    H    VAL  44           H        VAL  44  -5.952  -1.693  -9.530
  360    HA   VAL  44           HA       VAL  44  -6.936  -1.682  -6.787
  361    HB   VAL  44           HB       VAL  44  -5.594   0.521  -8.382
  362   1HG1  VAL  44          1HG1      VAL  44  -4.945   1.189  -5.958
  363   2HG1  VAL  44          2HG1      VAL  44  -6.285   0.156  -5.466
  364   3HG1  VAL  44          3HG1      VAL  44  -6.582   1.552  -6.501
  365   1HG2  VAL  44          1HG2      VAL  44  -3.529  -0.266  -7.449
  366   2HG2  VAL  44          2HG2      VAL  44  -4.341  -1.687  -8.106
  367   3HG2  VAL  44          3HG2      VAL  44  -4.367  -1.382  -6.370
  368    H    LYS  45           H        LYS  45  -7.480   0.556  -9.542
  369    HA   LYS  45           HA       LYS  45  -9.659   1.919  -8.272
  370   1HB   LYS  45          2HB       LYS  45 -10.119   2.865 -10.455
  371   2HB   LYS  45          1HB       LYS  45  -8.368   2.766 -10.268
  372   1HG   LYS  45          2HG       LYS  45  -8.549   0.473 -11.430
  373   2HG   LYS  45          1HG       LYS  45 -10.177   0.972 -11.890
  374   1HD   LYS  45          2HD       LYS  45  -7.629   2.495 -12.514
  375   2HD   LYS  45          1HD       LYS  45  -8.550   1.524 -13.664
  376   1HE   LYS  45          2HE       LYS  45 -10.559   3.015 -13.052
  377   2HE   LYS  45          1HE       LYS  45  -9.377   4.092 -12.307
  378   1HZ   LYS  45          1HZ       LYS  45  -9.020   3.131 -15.073
  379   2HZ   LYS  45          2HZ       LYS  45  -8.352   4.503 -14.327
  380   3HZ   LYS  45          3HZ       LYS  45  -9.999   4.475 -14.742
  381    H    ALA  46           H        ALA  46  -9.394  -1.135  -9.822
  382    HA   ALA  46           HA       ALA  46 -12.189  -1.429 -10.557
  383   1HB   ALA  46          1HB       ALA  46 -11.514  -3.895 -10.684
  384   2HB   ALA  46          2HB       ALA  46  -9.895  -3.373 -10.226
  385   3HB   ALA  46          3HB       ALA  46 -10.614  -2.798 -11.731
  386    H    LEU  47           H        LEU  47 -10.179  -2.542  -7.825
  387    HA   LEU  47           HA       LEU  47 -12.191  -4.020  -6.478
  388   1HB   LEU  47          2HB       LEU  47  -9.575  -2.847  -5.808
  389   2HB   LEU  47          1HB       LEU  47 -10.668  -2.931  -4.429
  390    HG   LEU  47           HG       LEU  47 -11.080  -5.352  -4.992
  391   1HD1  LEU  47          1HD1      LEU  47  -9.790  -6.468  -6.622
  392   2HD1  LEU  47          2HD1      LEU  47  -8.621  -5.152  -6.731
  393   3HD1  LEU  47          3HD1      LEU  47 -10.232  -4.959  -7.420
  394   1HD2  LEU  47          1HD2      LEU  47  -9.404  -4.567  -3.286
  395   2HD2  LEU  47          2HD2      LEU  47  -8.162  -4.663  -4.534
  396   3HD2  LEU  47          3HD2      LEU  47  -8.999  -6.124  -4.010
  397    H    CYS  48           H        CYS  48 -12.121  -0.716  -7.158
  398    HA   CYS  48           HA       CYS  48 -13.971  -0.126  -4.875
  399   1HB   CYS  48          2HB       CYS  48 -11.946   1.532  -6.338
  400   2HB   CYS  48          1HB       CYS  48 -13.374   2.331  -5.683
  401    H    LYS  49           H        LYS  49 -14.280  -1.215  -7.813
  402    HA   LYS  49           HA       LYS  49 -16.040   0.855  -8.953
  403   1HB   LYS  49          2HB       LYS  49 -16.079  -0.472 -10.904
  404   2HB   LYS  49          1HB       LYS  49 -14.455  -0.718 -10.266
  405   1HG   LYS  49          2HG       LYS  49 -15.439  -2.759  -9.035
  406   2HG   LYS  49          1HG       LYS  49 -16.824  -2.586 -10.114
  407   1HD   LYS  49          2HD       LYS  49 -15.353  -2.779 -12.069
  408   2HD   LYS  49          1HD       LYS  49 -13.944  -2.900 -11.014
  409   1HE   LYS  49          2HE       LYS  49 -14.842  -5.118 -11.868
  410   2HE   LYS  49          1HE       LYS  49 -14.693  -4.996 -10.114
  411   1HZ   LYS  49          1HZ       LYS  49 -17.187  -4.496 -11.646
  412   2HZ   LYS  49          2HZ       LYS  49 -17.023  -4.482  -9.955
  413   3HZ   LYS  49          3HZ       LYS  49 -16.830  -5.933 -10.818
  414    H    ASN  50           H        ASN  50 -18.277   0.720  -9.031
  415    HA   ASN  50           HA       ASN  50 -20.438  -0.080  -8.586
  416   1HB   ASN  50          2HB       ASN  50 -19.223  -2.319  -9.352
  417   2HB   ASN  50          1HB       ASN  50 -19.390  -2.727  -7.645
  418   1HD2  ASN  50          1HD2      ASN  50 -21.194  -4.080  -7.503
  419   2HD2  ASN  50          2HD2      ASN  50 -22.698  -3.763  -8.222
  420    H    ILE  51           H        ILE  51 -17.952   0.217  -6.367
  421    HA   ILE  51           HA       ILE  51 -19.386  -0.675  -3.995
  422    HB   ILE  51           HB       ILE  51 -16.996   1.167  -4.280
  423   1HG1  ILE  51          2HG1      ILE  51 -16.530  -1.068  -5.151
  424   2HG1  ILE  51          1HG1      ILE  51 -15.720  -0.870  -3.599
  425   1HG2  ILE  51          1HG2      ILE  51 -17.806   1.603  -2.127
  426   2HG2  ILE  51          2HG2      ILE  51 -16.657   0.297  -1.844
  427   3HG2  ILE  51          3HG2      ILE  51 -18.385  -0.049  -1.906
  428   1HD1  ILE  51          1HD1      ILE  51 -17.969  -1.907  -2.650
  429   2HD1  ILE  51          2HD1      ILE  51 -16.706  -2.950  -3.298
  430   3HD1  ILE  51          3HD1      ILE  51 -18.106  -2.546  -4.289
  431    H    ARG  52           H        ARG  52 -19.704   1.043  -2.187
  432    HA   ARG  52           HA       ARG  52 -21.390   3.196  -3.358
  433   1HB   ARG  52          2HB       ARG  52 -21.193   2.219  -0.493
  434   2HB   ARG  52          1HB       ARG  52 -22.387   3.352  -1.128
  435   1HG   ARG  52          2HG       ARG  52 -23.019   1.502  -2.795
  436   2HG   ARG  52          1HG       ARG  52 -22.080   0.416  -1.768
  437   1HD   ARG  52          2HD       ARG  52 -24.376   2.145  -0.803
  438   2HD   ARG  52          1HD       ARG  52 -24.499   0.424  -1.170
  439    HE   ARG  52           HE       ARG  52 -22.388   0.972   0.743
  440   1HH1  ARG  52          1HH2      ARG  52 -25.778   0.573   0.258
  441   2HH1  ARG  52          2HH2      ARG  52 -26.081   0.041   1.878
  442   1HH2  ARG  52          1HH1      ARG  52 -22.765   0.279   2.862
  443   2HH2  ARG  52          2HH1      ARG  52 -24.376  -0.124   3.351
  444    H    ASP  53           H        ASP  53 -21.223   4.670  -0.755
  445    HA   ASP  53           HA       ASP  53 -18.987   6.408  -1.463
  446   1HB   ASP  53          2HB       ASP  53 -20.652   6.551   1.049
  447   2HB   ASP  53          1HB       ASP  53 -19.818   7.865   0.219
  448    H    ASN  54           H        ASN  54 -18.503   7.093   1.339
  449    HA   ASN  54           HA       ASN  54 -16.136   5.544   1.764
  450   1HB   ASN  54          2HB       ASN  54 -15.954   6.727   3.888
  451   2HB   ASN  54          1HB       ASN  54 -16.489   7.855   2.641
  452   1HD2  ASN  54          1HD2      ASN  54 -19.271   6.798   2.582
  453   2HD2  ASN  54          2HD2      ASN  54 -20.003   7.324   4.019
  454    H    THR  55           H        THR  55 -16.249   3.410   2.189
  455    HA   THR  55           HA       THR  55 -17.785   2.534   4.566
  456    HB   THR  55           HB       THR  55 -17.942   0.704   2.220
  457    HG1  THR  55           1HG      THR  55 -18.730   2.262   1.048
  458   1HG2  THR  55          1HG2      THR  55 -19.940   1.599   4.318
  459   2HG2  THR  55          2HG2      THR  55 -18.923   0.161   4.424
  460   3HG2  THR  55          3HG2      THR  55 -20.164   0.274   3.176
  461    H    ASP  56           H        ASP  56 -17.014   0.379   5.304
  462    HA   ASP  56           HA       ASP  56 -14.116   0.129   4.819
  463   1HB   ASP  56          2HB       ASP  56 -14.350  -1.655   6.651
  464   2HB   ASP  56          1HB       ASP  56 -14.710   0.008   7.119
  465    H    VAL  57           H        VAL  57 -13.425  -1.172   3.212
  466    HA   VAL  57           HA       VAL  57 -15.061  -3.585   2.524
  467    HB   VAL  57           HB       VAL  57 -13.848  -3.460   0.311
  468   1HG1  VAL  57          1HG1      VAL  57 -15.597  -1.178   1.257
  469   2HG1  VAL  57          2HG1      VAL  57 -16.089  -2.629   0.383
  470   3HG1  VAL  57          3HG1      VAL  57 -15.143  -1.385  -0.435
  471   1HG2  VAL  57          1HG2      VAL  57 -12.579  -1.530  -0.256
  472   2HG2  VAL  57          2HG2      VAL  57 -11.993  -1.997   1.339
  473   3HG2  VAL  57          3HG2      VAL  57 -13.123  -0.654   1.175
  474    H    LEU  58           H        LEU  58 -13.434  -5.283   1.406
  475    HA   LEU  58           HA       LEU  58 -10.793  -5.383   2.676
  476   1HB   LEU  58          2HB       LEU  58 -12.135  -6.096   4.558
  477   2HB   LEU  58          1HB       LEU  58 -13.058  -7.202   3.546
  478    HG   LEU  58           HG       LEU  58 -11.130  -8.631   3.236
  479   1HD1  LEU  58          1HD1      LEU  58  -9.001  -8.007   4.526
  480   2HD1  LEU  58          2HD1      LEU  58  -9.677  -6.390   4.632
  481   3HD1  LEU  58          3HD1      LEU  58  -9.319  -7.093   3.062
  482   1HD2  LEU  58          1HD2      LEU  58 -12.449  -8.693   5.421
  483   2HD2  LEU  58          2HD2      LEU  58 -11.114  -7.792   6.140
  484   3HD2  LEU  58          3HD2      LEU  58 -10.837  -9.404   5.478
  485    H    SER  59           H        SER  59  -9.428  -6.795   1.521
  486    HA   SER  59           HA       SER  59 -10.197  -7.634  -1.062
  487   1HB   SER  59          2HB       SER  59  -7.899  -7.644  -0.863
  488   2HB   SER  59          1HB       SER  59  -7.937  -8.292   0.770
  489    HG   SER  59           HG       SER  59  -8.733  -9.787  -1.499
  490    H    ARG  60           H        ARG  60 -10.571  -9.822  -1.892
  491    HA   ARG  60           HA       ARG  60 -12.302 -11.357  -0.046
  492   1HB   ARG  60          2HB       ARG  60 -12.807 -12.641  -2.208
  493   2HB   ARG  60          1HB       ARG  60 -13.313 -10.952  -2.156
  494   1HG   ARG  60          2HG       ARG  60 -11.467 -10.249  -3.487
  495   2HG   ARG  60          1HG       ARG  60 -10.636 -11.791  -3.280
  496   1HD   ARG  60          2HD       ARG  60 -12.440 -12.924  -4.543
  497   2HD   ARG  60          1HD       ARG  60 -13.242 -11.371  -4.775
  498    HE   ARG  60           HE       ARG  60 -10.493 -11.339  -5.718
  499   1HH1  ARG  60          1HH2      ARG  60 -13.755 -12.222  -6.397
  500   2HH1  ARG  60          2HH2      ARG  60 -13.563 -12.127  -8.116
  501   1HH2  ARG  60          1HH1      ARG  60 -10.223 -11.211  -7.959
  502   2HH2  ARG  60          2HH1      ARG  60 -11.564 -11.555  -9.000
  503    H    ASP  61           H        ASP  61  -9.081 -11.421  -0.839
  504    HA   ASP  61           HA       ASP  61  -8.864 -14.219   0.075
  505   1HB   ASP  61          2HB       ASP  61  -9.018 -14.499  -2.348
  506   2HB   ASP  61          1HB       ASP  61  -7.750 -13.298  -2.591
  507    H    ALA  62           H        ALA  62  -6.294 -12.633  -1.693
  508    HA   ALA  62           HA       ALA  62  -5.085 -11.637   0.814
  509   1HB   ALA  62          1HB       ALA  62  -4.356 -13.976   0.716
  510   2HB   ALA  62          2HB       ALA  62  -2.992 -12.902   0.411
  511   3HB   ALA  62          3HB       ALA  62  -3.772 -13.739  -0.930
  512    H    PHE  63           H        PHE  63  -2.913 -10.558   0.289
  513    HA   PHE  63           HA       PHE  63  -2.632  -9.648  -2.502
  514   1HB   PHE  63          2HB       PHE  63  -3.711  -7.956  -0.285
  515   2HB   PHE  63          1HB       PHE  63  -2.547  -7.201  -1.373
  516    HD1  PHE  63           1HD      PHE  63  -3.118  -6.654  -3.631
  517    HD2  PHE  63           2HD      PHE  63  -5.817  -8.960  -1.213
  518    HE1  PHE  63           1HE      PHE  63  -4.892  -6.375  -5.342
  519    HE2  PHE  63           2HE      PHE  63  -7.590  -8.680  -2.925
  520    HZ   PHE  63           HZ       PHE  63  -7.127  -7.387  -4.989
  521    H    LEU  64           H        LEU  64  -0.490  -9.413  -2.923
  522    HA   LEU  64           HA       LEU  64   1.435  -9.783  -0.755
  523   1HB   LEU  64          2HB       LEU  64   1.575 -10.705  -3.171
  524   2HB   LEU  64          1HB       LEU  64   2.094  -9.085  -3.621
  525    HG   LEU  64           HG       LEU  64   3.470 -10.459  -1.325
  526   1HD1  LEU  64          1HD1      LEU  64   5.125 -11.324  -3.069
  527   2HD1  LEU  64          2HD1      LEU  64   3.860 -11.041  -4.265
  528   3HD1  LEU  64          3HD1      LEU  64   3.595 -12.192  -2.956
  529   1HD2  LEU  64          1HD2      LEU  64   4.113  -8.172  -1.730
  530   2HD2  LEU  64          2HD2      LEU  64   4.250  -8.455  -3.465
  531   3HD2  LEU  64          3HD2      LEU  64   5.413  -9.181  -2.359
  532    H    LEU  65           H        LEU  65   2.003  -8.034   0.490
  533    HA   LEU  65           HA       LEU  65   2.333  -5.422  -0.931
  534   1HB   LEU  65          2HB       LEU  65   2.056  -4.910   1.842
  535   2HB   LEU  65          1HB       LEU  65   0.942  -4.488   0.558
  536    HG   LEU  65           HG       LEU  65   0.898  -7.250   1.732
  537   1HD1  LEU  65          1HD1      LEU  65  -0.848  -6.369   3.296
  538   2HD1  LEU  65          2HD1      LEU  65  -0.436  -4.734   2.780
  539   3HD1  LEU  65          3HD1      LEU  65   0.757  -5.717   3.627
  540   1HD2  LEU  65          1HD2      LEU  65  -0.372  -6.755  -0.351
  541   2HD2  LEU  65          2HD2      LEU  65  -1.182  -5.424   0.466
  542   3HD2  LEU  65          3HD2      LEU  65  -1.465  -7.082   0.992
  543    HA   PRO  66           HA       PRO  66   6.534  -5.833   0.581
  544   1HB   PRO  66          2HB       PRO  66   7.448  -3.400  -0.265
  545   2HB   PRO  66          1HB       PRO  66   7.211  -4.775  -1.358
  546   1HG   PRO  66          2HG       PRO  66   5.526  -2.373  -0.955
  547   2HG   PRO  66          1HG       PRO  66   5.830  -3.303  -2.426
  548   1HD   PRO  66          2HD       PRO  66   3.525  -3.496  -0.892
  549   2HD   PRO  66          1HD       PRO  66   4.101  -4.741  -2.022
  550    H    GLN  67           H        GLN  67   7.882  -4.769   2.280
  551    HA   GLN  67           HA       GLN  67   6.559  -2.561   3.755
  552   1HB   GLN  67          2HB       GLN  67   7.377  -5.129   5.139
  553   2HB   GLN  67          1HB       GLN  67   6.564  -3.742   5.862
  554   1HG   GLN  67          2HG       GLN  67   4.651  -4.129   4.267
  555   2HG   GLN  67          1HG       GLN  67   5.442  -5.627   3.773
  556   1HE2  GLN  67          1HE2      GLN  67   6.452  -6.377   6.398
  557   2HE2  GLN  67          2HE2      GLN  67   5.115  -6.791   7.358
  558    H    CYS  68           H        CYS  68   8.075  -1.119   4.452
  559    HA   CYS  68           HA       CYS  68  10.935  -2.012   4.426
  560   1HB   CYS  68          2HB       CYS  68   9.819   0.807   4.429
  561   2HB   CYS  68          1HB       CYS  68  11.497   0.335   4.165
  562    H    ASP  69           H        ASP  69  11.870  -2.332   6.403
  563    HA   ASP  69           HA       ASP  69  10.765  -0.781   8.730
  564   1HB   ASP  69          2HB       ASP  69  10.028  -3.117   8.866
  565   2HB   ASP  69          1HB       ASP  69  11.696  -3.666   8.698
  566    H    ARG  70           H        ARG  70  12.287   0.390   9.792
  567    HA   ARG  70           HA       ARG  70  15.140  -0.067   9.128
  568   1HB   ARG  70          2HB       ARG  70  14.056   2.237   9.083
  569   2HB   ARG  70          1HB       ARG  70  13.977   2.140  10.839
  570   1HG   ARG  70          2HG       ARG  70  16.639   1.413   9.957
  571   2HG   ARG  70          1HG       ARG  70  16.190   2.962   9.249
  572   1HD   ARG  70          2HD       ARG  70  17.305   3.087  11.530
  573   2HD   ARG  70          1HD       ARG  70  15.759   3.923  11.398
  574    HE   ARG  70           HE       ARG  70  15.045   1.417  12.306
  575   1HH1  ARG  70          1HH2      ARG  70  17.325   3.828  13.240
  576   2HH1  ARG  70          2HH2      ARG  70  17.257   3.430  14.924
  577   1HH2  ARG  70          1HH1      ARG  70  14.942   0.883  14.500
  578   2HH2  ARG  70          2HH1      ARG  70  15.908   1.762  15.638
  579    H    ILE  71           H        ILE  71  16.737  -0.095  10.905
  580    HA   ILE  71           HA       ILE  71  15.908  -0.540  13.637
  581    HB   ILE  71           HB       ILE  71  15.143  -2.680  12.695
  582   1HG1  ILE  71          2HG1      ILE  71  17.730  -3.175  14.184
  583   2HG1  ILE  71          1HG1      ILE  71  16.308  -2.497  14.977
  584   1HG2  ILE  71          1HG2      ILE  71  16.799  -2.609  10.773
  585   2HG2  ILE  71          2HG2      ILE  71  16.641  -4.180  11.560
  586   3HG2  ILE  71          3HG2      ILE  71  18.030  -3.153  11.913
  587   1HD1  ILE  71          1HD1      ILE  71  16.277  -5.095  13.420
  588   2HD1  ILE  71          2HD1      ILE  71  14.991  -4.447  14.439
  589   3HD1  ILE  71          3HD1      ILE  71  16.497  -5.007  15.168
  590    H    LYS  72           H        LYS  72  18.351  -0.809  11.120
  591    HA   LYS  72           HA       LYS  72  20.428  -0.149  13.171
  592   1HB   LYS  72          2HB       LYS  72  20.519  -2.223  10.978
  593   2HB   LYS  72          1HB       LYS  72  22.000  -1.506  11.615
  594   1HG   LYS  72          2HG       LYS  72  21.439  -2.241  13.871
  595   2HG   LYS  72          1HG       LYS  72  19.884  -2.859  13.312
  596   1HD   LYS  72          2HD       LYS  72  20.933  -4.561  11.991
  597   2HD   LYS  72          1HD       LYS  72  22.525  -3.833  12.205
  598   1HE   LYS  72          2HE       LYS  72  22.618  -4.447  14.499
  599   2HE   LYS  72          1HE       LYS  72  20.892  -4.807  14.552
  600   1HZ   LYS  72          1HZ       LYS  72  22.911  -6.300  12.966
  601   2HZ   LYS  72          2HZ       LYS  72  21.252  -6.655  13.055
  602   3HZ   LYS  72          3HZ       LYS  72  22.234  -6.821  14.431
  603    H    LEU  73           H        LEU  73  22.480   0.691  11.923
  604    HA   LEU  73           HA       LEU  73  23.337   2.449  10.631
  605   1HB   LEU  73          2HB       LEU  73  21.346   1.717   8.490
  606   2HB   LEU  73          1HB       LEU  73  23.028   2.208   8.316
  607    HG   LEU  73           HG       LEU  73  22.029  -0.443   9.385
  608   1HD1  LEU  73          1HD1      LEU  73  21.963  -0.467   7.008
  609   2HD1  LEU  73          2HD1      LEU  73  23.492  -1.237   7.431
  610   3HD1  LEU  73          3HD1      LEU  73  23.471   0.438   6.880
  611   1HD2  LEU  73          1HD2      LEU  73  24.561  -0.930   9.378
  612   2HD2  LEU  73          2HD2      LEU  73  23.951   0.077  10.690
  613   3HD2  LEU  73          3HD2      LEU  73  24.776   0.819   9.321
  614    HA   PRO  74           HA       PRO  74  20.432   5.783  10.925
  615   1HB   PRO  74          2HB       PRO  74  21.362   7.629   9.154
  616   2HB   PRO  74          1HB       PRO  74  22.248   7.167  10.619
  617   1HG   PRO  74          2HG       PRO  74  22.812   6.520   7.809
  618   2HG   PRO  74          1HG       PRO  74  23.899   6.541   9.206
  619   1HD   PRO  74          2HD       PRO  74  22.649   4.253   7.982
  620   2HD   PRO  74          1HD       PRO  74  23.729   4.275   9.394
  621    H    CYS  75           H        CYS  75  20.897   5.024   7.453
  622    HA   CYS  75           HA       CYS  75  17.962   5.472   7.091
  623   1HB   CYS  75          2HB       CYS  75  19.537   7.352   6.204
  624   2HB   CYS  75          1HB       CYS  75  19.931   6.197   4.931
  625    H    HIS  76           H        HIS  76  18.411   2.995   7.482
  626    HA   HIS  76           HA       HIS  76  18.499   1.739   4.781
  627   1HB   HIS  76          2HB       HIS  76  20.727   1.467   5.999
  628   2HB   HIS  76          1HB       HIS  76  19.852   0.509   7.195
  629    HD1  HIS  76           1HD      HIS  76  20.475   0.552   3.433
  630    HD2  HIS  76           2HD      HIS  76  19.506  -2.144   6.465
  631    HE1  HIS  76           1HE      HIS  76  20.490  -1.752   2.377
  632    HE2  HIS  76           2HE      HIS  76  19.901  -3.400   4.214
  633    H    TYR  77           H        TYR  77  17.094  -0.085   4.624
  634    HA   TYR  77           HA       TYR  77  15.556  -0.762   7.091
  635   1HB   TYR  77          2HB       TYR  77  14.053  -0.549   4.522
  636   2HB   TYR  77          1HB       TYR  77  13.496  -0.275   6.171
  637    HD1  TYR  77           1HD      TYR  77  13.253   1.918   6.950
  638    HD2  TYR  77           2HD      TYR  77  15.840   1.145   3.610
  639    HE1  TYR  77           1HE      TYR  77  13.610   4.354   6.664
  640    HE2  TYR  77           2HE      TYR  77  16.196   3.582   3.321
  641    HH   TYR  77           HH       TYR  77  15.974   5.607   4.388
  642    H    LYS  78           H        LYS  78  14.156  -2.733   6.698
  643    HA   LYS  78           HA       LYS  78  15.684  -4.696   5.042
  644   1HB   LYS  78          2HB       LYS  78  15.410  -5.023   7.586
  645   2HB   LYS  78          1HB       LYS  78  13.712  -5.351   7.241
  646   1HG   LYS  78          2HG       LYS  78  14.579  -7.503   7.128
  647   2HG   LYS  78          1HG       LYS  78  14.730  -7.014   5.441
  648   1HD   LYS  78          2HD       LYS  78  17.072  -6.357   5.829
  649   2HD   LYS  78          1HD       LYS  78  16.925  -6.811   7.526
  650   1HE   LYS  78          2HE       LYS  78  16.358  -8.770   5.297
  651   2HE   LYS  78          1HE       LYS  78  17.979  -8.552   5.958
  652   1HZ   LYS  78          1HZ       LYS  78  15.961 -10.130   6.981
  653   2HZ   LYS  78          2HZ       LYS  78  16.074  -8.807   8.040
  654   3HZ   LYS  78          3HZ       LYS  78  17.443  -9.760   7.719
  655    H    LEU  79           H        LEU  79  14.524  -6.041   3.619
  656    HA   LEU  79           HA       LEU  79  11.894  -4.966   2.792
  657   1HB   LEU  79          2HB       LEU  79  13.979  -5.633   1.279
  658   2HB   LEU  79          1HB       LEU  79  13.253  -7.236   1.377
  659    HG   LEU  79           HG       LEU  79  11.826  -4.717   0.466
  660   1HD1  LEU  79          1HD1      LEU  79  12.877  -7.116  -1.065
  661   2HD1  LEU  79          2HD1      LEU  79  13.471  -5.459  -1.179
  662   3HD1  LEU  79          3HD1      LEU  79  11.851  -5.857  -1.753
  663   1HD2  LEU  79          1HD2      LEU  79  10.979  -7.582   0.883
  664   2HD2  LEU  79          2HD2      LEU  79  10.175  -6.587  -0.331
  665   3HD2  LEU  79          3HD2      LEU  79  10.150  -6.102   1.363
  666    H    SER  80           H        SER  80  10.050  -5.938   3.434
  667    HA   SER  80           HA       SER  80  10.016  -8.877   3.866
  668   1HB   SER  80          2HB       SER  80  10.390  -8.024   6.103
  669   2HB   SER  80          1HB       SER  80   9.143  -6.798   5.895
  670    HG   SER  80           HG       SER  80   8.700  -9.600   5.752
  671    H    SER  81           H        SER  81   8.180  -9.725   2.949
  672    HA   SER  81           HA       SER  81   5.774  -7.996   2.701
  673   1HB   SER  81          2HB       SER  81   5.662  -8.075   0.384
  674   2HB   SER  81          1HB       SER  81   7.407  -8.000   0.607
  675    HG   SER  81           HG       SER  81   7.126  -9.720  -0.687
  676    H    SER  82           H        SER  82   3.842  -9.262   2.115
  677    HA   SER  82           HA       SER  82   4.000 -12.177   2.132
  678   1HB   SER  82          2HB       SER  82   2.526 -12.330   4.213
  679   2HB   SER  82          1HB       SER  82   4.213 -11.914   4.504
  680    HG   SER  82           HG       SER  82   3.556 -10.089   5.291
  681    H    THR  83           H        THR  83   1.801 -13.130   1.913
  682    HA   THR  83           HA       THR  83   0.012 -11.215   0.517
  683    HB   THR  83           HB       THR  83  -0.858 -13.724  -0.128
  684    HG1  THR  83           1HG      THR  83   0.982 -14.491   1.141
  685   1HG2  THR  83          1HG2      THR  83   0.427 -13.419  -2.209
  686   2HG2  THR  83          2HG2      THR  83   1.410 -12.192  -1.410
  687   3HG2  THR  83          3HG2      THR  83  -0.307 -11.901  -1.690
  688    H    ASN  84           H        ASN  84  -1.739 -10.610   1.668
  689    HA   ASN  84           HA       ASN  84  -3.371 -12.611   3.043
  690   1HB   ASN  84          2HB       ASN  84  -3.290 -11.414   5.244
  691   2HB   ASN  84          1HB       ASN  84  -1.757 -12.175   4.814
  692   1HD2  ASN  84          1HD2      ASN  84  -0.428 -10.651   5.989
  693   2HD2  ASN  84          2HD2      ASN  84  -0.281  -9.028   5.511
  694    H    THR  85           H        THR  85  -5.470 -11.695   3.681
  695    HA   THR  85           HA       THR  85  -6.416  -9.694   1.874
  696    HB   THR  85           HB       THR  85  -8.018 -10.051   4.316
  697    HG1  THR  85           1HG      THR  85  -6.648 -12.021   4.069
  698   1HG2  THR  85          1HG2      THR  85  -8.372 -10.601   1.366
  699   2HG2  THR  85          2HG2      THR  85  -9.102  -9.317   2.331
  700   3HG2  THR  85          3HG2      THR  85  -9.610 -10.989   2.559
  701    H    ILE  86           H        ILE  86  -7.122  -7.506   2.396
  702    HA   ILE  86           HA       ILE  86  -6.028  -6.394   4.936
  703    HB   ILE  86           HB       ILE  86  -4.530  -5.015   3.909
  704   1HG1  ILE  86          2HG1      ILE  86  -6.545  -4.768   1.648
  705   2HG1  ILE  86          1HG1      ILE  86  -6.210  -3.575   2.905
  706   1HG2  ILE  86          1HG2      ILE  86  -5.061  -6.806   1.518
  707   2HG2  ILE  86          2HG2      ILE  86  -4.099  -7.280   2.917
  708   3HG2  ILE  86          3HG2      ILE  86  -3.560  -5.958   1.888
  709   1HD1  ILE  86          1HD1      ILE  86  -3.814  -3.554   2.046
  710   2HD1  ILE  86          2HD1      ILE  86  -5.028  -2.834   0.989
  711   3HD1  ILE  86          3HD1      ILE  86  -4.413  -4.451   0.650
  712    H    CYS  87           H        CYS  87  -7.338  -4.862   5.828
  713    HA   CYS  87           HA       CYS  87  -9.900  -4.307   4.490
  714   1HB   CYS  87          2HB       CYS  87  -8.815  -4.081   7.254
  715   2HB   CYS  87          1HB       CYS  87 -10.080  -2.936   6.807
  716    H    ILE  88           H        ILE  88 -10.466  -2.373   3.641
  717    HA   ILE  88           HA       ILE  88  -8.798   0.017   4.156
  718    HB   ILE  88           HB       ILE  88  -7.566  -0.342   2.276
  719   1HG1  ILE  88          2HG1      ILE  88 -10.163   0.056   0.759
  720   2HG1  ILE  88          1HG1      ILE  88  -9.261   1.375   1.506
  721   1HG2  ILE  88          1HG2      ILE  88  -9.716  -2.294   1.414
  722   2HG2  ILE  88          2HG2      ILE  88  -8.183  -2.690   2.183
  723   3HG2  ILE  88          3HG2      ILE  88  -8.203  -2.030   0.551
  724   1HD1  ILE  88          1HD1      ILE  88  -8.431  -0.403  -0.782
  725   2HD1  ILE  88          2HD1      ILE  88  -7.235   0.485   0.163
  726   3HD1  ILE  88          3HD1      ILE  88  -8.487   1.358  -0.718
  727    H    THR  89           H        THR  89  -9.896   2.002   3.440
  728    HA   THR  89           HA       THR  89 -12.841   1.556   3.144
  729    HB   THR  89           HB       THR  89 -11.210   3.523   4.641
  730    HG1  THR  89           1HG      THR  89 -13.649   2.173   4.832
  731   1HG2  THR  89          1HG2      THR  89 -13.126   5.194   4.524
  732   2HG2  THR  89          2HG2      THR  89 -13.693   4.319   3.103
  733   3HG2  THR  89          3HG2      THR  89 -12.116   5.109   3.081
  734    H    CYS  90           H        CYS  90 -13.877   2.356   1.385
  735    HA   CYS  90           HA       CYS  90 -12.307   4.040  -0.536
  736   1HB   CYS  90          2HB       CYS  90 -12.590   1.547  -1.135
  737   2HB   CYS  90          1HB       CYS  90 -14.295   1.923  -1.371
  738    H    VAL  91           H        VAL  91 -13.514   5.644  -1.610
  739    HA   VAL  91           HA       VAL  91 -16.085   6.333  -0.352
  740    HB   VAL  91           HB       VAL  91 -15.878   8.428  -1.632
  741   1HG1  VAL  91          1HG1      VAL  91 -13.223   7.625  -0.407
  742   2HG1  VAL  91          2HG1      VAL  91 -14.641   8.101   0.529
  743   3HG1  VAL  91          3HG1      VAL  91 -13.867   9.260  -0.553
  744   1HG2  VAL  91          1HG2      VAL  91 -13.607   6.905  -2.912
  745   2HG2  VAL  91          2HG2      VAL  91 -13.641   8.668  -2.918
  746   3HG2  VAL  91          3HG2      VAL  91 -14.934   7.759  -3.700
  747    H    ASN  92           H        ASN  92 -16.894   7.735  -2.922
  748    HA   ASN  92           HA       ASN  92 -18.853   6.042  -3.864
  749   1HB   ASN  92          2HB       ASN  92 -17.245   8.050  -5.448
  750   2HB   ASN  92          1HB       ASN  92 -18.744   7.316  -6.019
  751   1HD2  ASN  92          1HD2      ASN  92 -20.056   7.300  -3.377
  752   2HD2  ASN  92          2HD2      ASN  92 -20.424   8.916  -3.009
  753    H    GLN  93           H        GLN  93 -15.559   6.223  -5.003
  754    HA   GLN  93           HA       GLN  93 -15.375   3.458  -5.645
  755   1HB   GLN  93          2HB       GLN  93 -15.252   3.758  -8.187
  756   2HB   GLN  93          1HB       GLN  93 -16.866   3.793  -7.477
  757   1HG   GLN  93          2HG       GLN  93 -16.808   6.261  -7.461
  758   2HG   GLN  93          1HG       GLN  93 -15.194   6.227  -8.174
  759   1HE2  GLN  93          1HE2      GLN  93 -16.837   3.621  -9.473
  760   2HE2  GLN  93          2HE2      GLN  93 -17.423   4.347 -10.890
  761    H    LEU  94           H        LEU  94 -13.692   5.113  -4.311
  762    HA   LEU  94           HA       LEU  94 -11.270   5.025  -5.999
  763   1HB   LEU  94          2HB       LEU  94 -12.379   7.537  -4.734
  764   2HB   LEU  94          1HB       LEU  94 -10.663   7.363  -5.073
  765    HG   LEU  94           HG       LEU  94 -11.770   6.580  -7.473
  766   1HD1  LEU  94          1HD1      LEU  94 -13.374   8.996  -6.645
  767   2HD1  LEU  94          2HD1      LEU  94 -14.010   7.368  -6.423
  768   3HD1  LEU  94          3HD1      LEU  94 -13.610   7.942  -8.041
  769   1HD2  LEU  94          1HD2      LEU  94 -11.216   8.961  -8.192
  770   2HD2  LEU  94          2HD2      LEU  94  -9.923   8.103  -7.354
  771   3HD2  LEU  94          3HD2      LEU  94 -10.886   9.305  -6.493
  772    HA   PRO  95           HA       PRO  95 -10.216   3.494  -1.869
  773   1HB   PRO  95          2HB       PRO  95  -7.711   2.572  -2.490
  774   2HB   PRO  95          1HB       PRO  95  -9.197   1.685  -2.880
  775   1HG   PRO  95          2HG       PRO  95  -7.465   3.345  -4.635
  776   2HG   PRO  95          1HG       PRO  95  -8.340   1.847  -4.996
  777   1HD   PRO  95          2HD       PRO  95  -9.213   4.354  -5.744
  778   2HD   PRO  95          1HD       PRO  95 -10.294   2.961  -5.508
  779    H    ILE  96           H        ILE  96  -9.471   4.820  -0.222
  780    HA   ILE  96           HA       ILE  96  -7.034   6.440  -0.754
  781    HB   ILE  96           HB       ILE  96  -8.090   8.467   0.113
  782   1HG1  ILE  96          2HG1      ILE  96 -10.695   8.326   0.272
  783   2HG1  ILE  96          1HG1      ILE  96 -10.434   6.596   0.480
  784   1HG2  ILE  96          1HG2      ILE  96  -8.287   7.666  -2.353
  785   2HG2  ILE  96          2HG2      ILE  96  -9.308   9.000  -1.825
  786   3HG2  ILE  96          3HG2      ILE  96  -9.981   7.376  -1.964
  787   1HD1  ILE  96          1HD1      ILE  96  -8.706   8.281   2.182
  788   2HD1  ILE  96          2HD1      ILE  96  -9.648   6.853   2.591
  789   3HD1  ILE  96          3HD1      ILE  96 -10.430   8.428   2.522
  790    H    HIS  97           H        HIS  97  -8.807   4.465   1.456
  791    HA   HIS  97           HA       HIS  97  -6.981   5.446   3.634
  792   1HB   HIS  97          2HB       HIS  97  -9.871   4.907   3.628
  793   2HB   HIS  97          1HB       HIS  97  -9.018   4.113   4.950
  794    HD1  HIS  97           1HD      HIS  97  -6.876   6.179   5.612
  795    HD2  HIS  97           2HD      HIS  97 -10.847   7.206   4.848
  796    HE1  HIS  97           1HE      HIS  97  -7.257   8.434   6.706
  797    HE2  HIS  97           2HE      HIS  97  -9.670   9.068   6.247
  798    H    PHE  98           H        PHE  98  -5.831   3.928   4.761
  799    HA   PHE  98           HA       PHE  98  -6.030   1.101   3.790
  800   1HB   PHE  98          2HB       PHE  98  -3.862   2.010   3.258
  801   2HB   PHE  98          1HB       PHE  98  -3.695   2.709   4.868
  802    HD1  PHE  98           1HD      PHE  98  -2.224   1.572   6.271
  803    HD2  PHE  98           2HD      PHE  98  -4.543  -0.660   3.424
  804    HE1  PHE  98           1HE      PHE  98  -1.184  -0.532   7.071
  805    HE2  PHE  98           2HE      PHE  98  -3.503  -2.763   4.226
  806    HZ   PHE  98           HZ       PHE  98  -1.824  -2.699   6.049
  807    H    ALA  99           H        ALA  99  -7.421   0.204   5.314
  808    HA   ALA  99           HA       ALA  99  -7.576   0.910   8.053
  809   1HB   ALA  99          1HB       ALA  99  -9.021  -0.888   8.267
  810   2HB   ALA  99          2HB       ALA  99  -8.035  -1.937   7.254
  811   3HB   ALA  99          3HB       ALA  99  -9.047  -0.696   6.515
  812    H    GLY 100           H        GLY 100  -6.152  -2.165   6.881
  813   1HA   GLY 100          2HA       GLY 100  -3.639  -1.796   8.205
  814   2HA   GLY 100          1HA       GLY 100  -4.717  -2.720   9.252
  815    H    VAL 101           H        VAL 101  -2.981  -4.409   8.850
  816    HA   VAL 101           HA       VAL 101  -3.152  -5.698   6.182
  817    HB   VAL 101           HB       VAL 101  -1.480  -6.472   8.590
  818   1HG1  VAL 101          1HG1      VAL 101  -1.681  -8.320   7.078
  819   2HG1  VAL 101          2HG1      VAL 101  -0.115  -7.579   6.747
  820   3HG1  VAL 101          3HG1      VAL 101  -1.479  -7.275   5.672
  821   1HG2  VAL 101          1HG2      VAL 101  -1.001  -4.167   7.724
  822   2HG2  VAL 101          2HG2      VAL 101  -0.689  -4.870   6.137
  823   3HG2  VAL 101          3HG2      VAL 101   0.348  -5.281   7.502
  824    H    GLY 102           H        GLY 102  -3.633  -8.021   6.058
  825   1HA   GLY 102          2HA       GLY 102  -4.851  -9.951   6.628
  826   2HA   GLY 102          1HA       GLY 102  -4.748  -9.442   8.314
  827    H    SER 103           H        SER 103  -7.090 -10.379   8.052
  828    HA   SER 103           HA       SER 103  -9.036  -8.676   6.737
  829   1HB   SER 103          2HB       SER 103 -10.696 -10.073   7.968
  830   2HB   SER 103          1HB       SER 103  -9.520 -11.043   7.087
  831    HG   SER 103           HG       SER 103  -9.768 -10.563   9.844
  832    H    CYS 104           H        CYS 104 -10.767  -7.519   7.949
  833    HA   CYS 104           HA       CYS 104  -9.820  -5.541   9.663
  834   1HB   CYS 104          2HB       CYS 104 -12.532  -6.728   9.193
  835   2HB   CYS 104          1HB       CYS 104 -12.335  -5.576  10.513
  836    HA   PRO 105           HA       PRO 105  -8.873  -7.046  13.699
  837   1HB   PRO 105          2HB       PRO 105 -11.232  -5.429  14.619
  838   2HB   PRO 105          1HB       PRO 105  -9.595  -5.513  15.298
  839   1HG   PRO 105          2HG       PRO 105 -10.401  -3.477  13.740
  840   2HG   PRO 105          1HG       PRO 105  -8.732  -4.068  13.749
  841   1HD   PRO 105          2HD       PRO 105 -10.763  -4.304  11.623
  842   2HD   PRO 105          1HD       PRO 105  -9.002  -4.519  11.524
  Start of MODEL    9
    1    HN   PCA   1           H        PCA   1  -6.930   9.083   0.986
    2    HA   PCA   1           HA       PCA   1  -8.284  11.252   1.645
    3   1HB   PCA   1          1HB       PCA   1  -6.886  12.591   2.834
    4   2HB   PCA   1          2HB       PCA   1  -6.123  13.001   1.317
    5   1HG   PCA   1          1HG       PCA   1  -5.016  11.648   3.335
    6   2HG   PCA   1          2HG       PCA   1  -4.500  11.588   1.633
    7    H    ASP   2           H        ASP   2  -6.515   9.791  -0.717
    8    HA   ASP   2           HA       ASP   2  -7.981  11.050  -2.822
    9   1HB   ASP   2          2HB       ASP   2  -5.331  12.217  -2.121
   10   2HB   ASP   2          1HB       ASP   2  -5.622  11.936  -3.838
   11    H    TRP   3           H        TRP   3  -8.139   9.374  -4.223
   12    HA   TRP   3           HA       TRP   3  -6.726   6.983  -4.114
   13   1HB   TRP   3          2HB       TRP   3  -8.624   6.928  -5.479
   14   2HB   TRP   3          1HB       TRP   3  -8.176   8.403  -6.330
   15    HD1  TRP   3           HD       TRP   3  -7.709   7.838  -8.733
   16    HE1  TRP   3           1HE      TRP   3  -6.432   5.994 -10.001
   17    HE3  TRP   3           3HE      TRP   3  -6.336   4.853  -4.817
   18    HZ2  TRP   3           2HZ      TRP   3  -5.023   3.575  -9.433
   19    HZ3  TRP   3           3HZ      TRP   3  -5.030   2.790  -5.213
   20    HH2  TRP   3           HH       TRP   3  -4.374   2.144  -7.514
   21    H    GLU   4           H        GLU   4  -5.747   9.998  -5.629
   22    HA   GLU   4           HA       GLU   4  -3.582   8.957  -7.192
   23   1HB   GLU   4          2HB       GLU   4  -4.063  11.668  -5.931
   24   2HB   GLU   4          1HB       GLU   4  -2.667  11.324  -6.954
   25   1HG   GLU   4          2HG       GLU   4  -5.513  10.807  -7.843
   26   2HG   GLU   4          1HG       GLU   4  -4.676  12.329  -8.154
   27    H    THR   5           H        THR   5  -3.027  10.987  -4.301
   28    HA   THR   5           HA       THR   5  -0.462   9.988  -3.759
   29    HB   THR   5           HB       THR   5  -1.458  11.956  -2.631
   30    HG1  THR   5           1HG      THR   5  -0.207  11.644  -0.951
   31   1HG2  THR   5          1HG2      THR   5  -3.664  10.629  -2.213
   32   2HG2  THR   5          2HG2      THR   5  -3.129  11.786  -0.995
   33   3HG2  THR   5          3HG2      THR   5  -2.849  10.061  -0.756
   34    H    PHE   6           H        PHE   6  -3.560   8.858  -2.346
   35    HA   PHE   6           HA       PHE   6  -2.554   6.781  -0.763
   36   1HB   PHE   6          2HB       PHE   6  -4.907   7.214  -0.674
   37   2HB   PHE   6          1HB       PHE   6  -5.091   6.955  -2.408
   38    HD1  PHE   6           1HD      PHE   6  -5.077   5.395   0.859
   39    HD2  PHE   6           2HD      PHE   6  -4.660   4.628  -3.346
   40    HE1  PHE   6           1HE      PHE   6  -5.524   2.986   1.242
   41    HE2  PHE   6           2HE      PHE   6  -5.108   2.224  -2.957
   42    HZ   PHE   6           HZ       PHE   6  -5.540   1.403  -0.660
   43    H    GLN   7           H        GLN   7  -2.646   7.073  -4.226
   44    HA   GLN   7           HA       GLN   7  -2.055   4.203  -4.612
   45   1HB   GLN   7          2HB       GLN   7  -3.502   5.251  -6.265
   46   2HB   GLN   7          1HB       GLN   7  -2.301   6.495  -6.586
   47   1HG   GLN   7          2HG       GLN   7  -1.495   3.623  -6.889
   48   2HG   GLN   7          1HG       GLN   7  -2.492   4.351  -8.145
   49   1HE2  GLN   7          1HE2      GLN   7  -0.572   6.748  -6.662
   50   2HE2  GLN   7          2HE2      GLN   7   0.682   6.788  -7.804
   51    H    LYS   8           H        LYS   8  -0.412   7.195  -4.170
   52    HA   LYS   8           HA       LYS   8   2.056   6.290  -5.494
   53   1HB   LYS   8          2HB       LYS   8   1.560   8.727  -3.765
   54   2HB   LYS   8          1HB       LYS   8   2.948   8.456  -4.819
   55   1HG   LYS   8          2HG       LYS   8   0.205   8.283  -6.022
   56   2HG   LYS   8          1HG       LYS   8   0.854   9.879  -5.655
   57   1HD   LYS   8          2HD       LYS   8   2.845   9.416  -7.001
   58   2HD   LYS   8          1HD       LYS   8   2.275   7.777  -7.317
   59   1HE   LYS   8          2HE       LYS   8   0.364   8.608  -8.544
   60   2HE   LYS   8          1HE       LYS   8   0.736  10.270  -8.086
   61   1HZ   LYS   8          1HZ       LYS   8   2.472  10.383  -9.529
   62   2HZ   LYS   8          2HZ       LYS   8   1.493   9.287 -10.380
   63   3HZ   LYS   8          3HZ       LYS   8   2.804   8.721  -9.460
   64    H    LYS   9           H        LYS   9   1.129   7.096  -2.108
   65    HA   LYS   9           HA       LYS   9   3.659   5.943  -1.158
   66   1HB   LYS   9          2HB       LYS   9   2.466   6.475   1.134
   67   2HB   LYS   9          1HB       LYS   9   3.101   7.782   0.138
   68   1HG   LYS   9          2HG       LYS   9   0.965   8.375  -0.670
   69   2HG   LYS   9          1HG       LYS   9   0.259   6.832  -0.189
   70   1HD   LYS   9          2HD       LYS   9   0.535   7.419   2.179
   71   2HD   LYS   9          1HD       LYS   9   1.289   8.947   1.724
   72   1HE   LYS   9          2HE       LYS   9  -0.720   9.824   0.862
   73   2HE   LYS   9          1HE       LYS   9  -1.459   8.231   0.715
   74   1HZ   LYS   9          1HZ       LYS   9  -0.788   9.595   3.265
   75   2HZ   LYS   9          2HZ       LYS   9  -1.505   8.062   3.120
   76   3HZ   LYS   9          3HZ       LYS   9  -2.343   9.447   2.604
   77    H    HIS  10           H        HIS  10   0.177   5.167  -0.631
   78    HA   HIS  10           HA       HIS  10   0.824   2.771   0.851
   79   1HB   HIS  10          2HB       HIS  10  -1.785   3.357  -0.554
   80   2HB   HIS  10          1HB       HIS  10  -1.524   2.307   0.837
   81    HD1  HIS  10           1HD      HIS  10  -3.131   5.260   0.400
   82    HD2  HIS  10           2HD      HIS  10   0.170   4.331   2.777
   83    HE1  HIS  10           1HE      HIS  10  -3.027   7.032   2.209
   84    HE2  HIS  10           2HE      HIS  10  -1.022   6.477   3.661
   85    H    LEU  11           H        LEU  11   0.909   3.428  -2.497
   86    HA   LEU  11           HA       LEU  11   0.965   0.474  -3.045
   87   1HB   LEU  11          2HB       LEU  11  -0.499   2.665  -4.466
   88   2HB   LEU  11          1HB       LEU  11   0.190   1.374  -5.443
   89    HG   LEU  11           HG       LEU  11  -0.995  -0.284  -4.002
   90   1HD1  LEU  11          1HD1      LEU  11  -1.707   2.210  -2.567
   91   2HD1  LEU  11          2HD1      LEU  11  -1.600   0.558  -1.968
   92   3HD1  LEU  11          3HD1      LEU  11  -3.045   1.089  -2.817
   93   1HD2  LEU  11          1HD2      LEU  11  -3.291   0.288  -4.888
   94   2HD2  LEU  11          2HD2      LEU  11  -2.007   0.335  -6.097
   95   3HD2  LEU  11          3HD2      LEU  11  -2.629   1.837  -5.412
   96    H    THR  12           H        THR  12   2.407  -0.145  -4.764
   97    HA   THR  12           HA       THR  12   4.313   1.980  -5.647
   98    HB   THR  12           HB       THR  12   5.484   0.948  -3.825
   99    HG1  THR  12           1HG      THR  12   7.158   0.776  -5.046
  100   1HG2  THR  12          1HG2      THR  12   5.259  -1.217  -3.200
  101   2HG2  THR  12          2HG2      THR  12   5.514  -1.803  -4.842
  102   3HG2  THR  12          3HG2      THR  12   3.909  -1.281  -4.332
  103    H    ASP  13           H        ASP  13   6.007   0.354  -7.158
  104    HA   ASP  13           HA       ASP  13   4.093  -0.830  -9.141
  105   1HB   ASP  13          2HB       ASP  13   6.720   0.572  -9.707
  106   2HB   ASP  13          1HB       ASP  13   5.582  -0.046 -10.905
  107    H    THR  14           H        THR  14   5.979  -2.004  -6.901
  108    HA   THR  14           HA       THR  14   6.712  -4.335  -8.500
  109    HB   THR  14           HB       THR  14   8.620  -2.793  -8.941
  110    HG1  THR  14           1HG      THR  14   9.103  -5.057  -7.311
  111   1HG2  THR  14          1HG2      THR  14   8.441  -1.607  -6.736
  112   2HG2  THR  14          2HG2      THR  14  10.081  -2.119  -7.134
  113   3HG2  THR  14          3HG2      THR  14   9.129  -3.038  -5.968
  114    H    LYS  15           H        LYS  15   6.958  -6.156  -7.197
  115    HA   LYS  15           HA       LYS  15   5.972  -5.997  -4.497
  116   1HB   LYS  15          2HB       LYS  15   6.803  -8.440  -4.438
  117   2HB   LYS  15          1HB       LYS  15   5.568  -8.043  -5.635
  118   1HG   LYS  15          2HG       LYS  15   7.152  -7.973  -7.407
  119   2HG   LYS  15          1HG       LYS  15   8.515  -7.923  -6.289
  120   1HD   LYS  15          2HD       LYS  15   8.336 -10.169  -7.210
  121   2HD   LYS  15          1HD       LYS  15   7.896 -10.215  -5.503
  122   1HE   LYS  15          2HE       LYS  15   5.574 -10.354  -5.994
  123   2HE   LYS  15          1HE       LYS  15   5.822  -9.880  -7.674
  124   1HZ   LYS  15          1HZ       LYS  15   5.477 -12.354  -7.107
  125   2HZ   LYS  15          2HZ       LYS  15   7.103 -12.312  -6.617
  126   3HZ   LYS  15          3HZ       LYS  15   6.685 -11.931  -8.218
  127    H    LYS  16           H        LYS  16   9.092  -5.634  -5.892
  128    HA   LYS  16           HA       LYS  16  10.358  -5.864  -3.187
  129   1HB   LYS  16          2HB       LYS  16  12.505  -6.167  -4.482
  130   2HB   LYS  16          1HB       LYS  16  11.346  -7.481  -4.685
  131   1HG   LYS  16          2HG       LYS  16  10.524  -6.224  -6.770
  132   2HG   LYS  16          1HG       LYS  16  11.984  -5.246  -6.620
  133   1HD   LYS  16          2HD       LYS  16  13.260  -7.482  -6.532
  134   2HD   LYS  16          1HD       LYS  16  11.767  -8.214  -7.122
  135   1HE   LYS  16          2HE       LYS  16  13.519  -6.173  -8.487
  136   2HE   LYS  16          1HE       LYS  16  12.984  -7.740  -9.093
  137   1HZ   LYS  16          1HZ       LYS  16  10.828  -6.955  -9.426
  138   2HZ   LYS  16          2HZ       LYS  16  11.814  -5.688  -9.980
  139   3HZ   LYS  16          3HZ       LYS  16  11.066  -5.582  -8.457
  140    H    VAL  17           H        VAL  17   9.224  -3.535  -3.315
  141    HA   VAL  17           HA       VAL  17  10.282  -1.428  -4.838
  142    HB   VAL  17           HB       VAL  17   9.701   0.053  -2.936
  143   1HG1  VAL  17          1HG1      VAL  17   7.597  -2.083  -3.170
  144   2HG1  VAL  17          2HG1      VAL  17   7.999  -1.041  -4.529
  145   3HG1  VAL  17          3HG1      VAL  17   7.381  -0.340  -3.033
  146   1HG2  VAL  17          1HG2      VAL  17   9.530  -2.605  -1.513
  147   2HG2  VAL  17          2HG2      VAL  17   8.622  -1.207  -0.941
  148   3HG2  VAL  17          3HG2      VAL  17  10.382  -1.145  -1.014
  149    H    LYS  18           H        LYS  18  11.751   0.309  -4.018
  150    HA   LYS  18           HA       LYS  18  14.189  -0.947  -2.868
  151   1HB   LYS  18          2HB       LYS  18  15.221   1.301  -3.656
  152   2HB   LYS  18          1HB       LYS  18  14.750   0.142  -4.900
  153   1HG   LYS  18          2HG       LYS  18  12.662   1.315  -5.288
  154   2HG   LYS  18          1HG       LYS  18  12.969   2.394  -3.928
  155   1HD   LYS  18          2HD       LYS  18  13.637   3.692  -5.768
  156   2HD   LYS  18          1HD       LYS  18  15.162   3.004  -5.212
  157   1HE   LYS  18          2HE       LYS  18  14.906   2.817  -7.674
  158   2HE   LYS  18          1HE       LYS  18  15.007   1.233  -6.905
  159   1HZ   LYS  18          1HZ       LYS  18  12.414   2.544  -7.461
  160   2HZ   LYS  18          2HZ       LYS  18  12.718   0.907  -7.123
  161   3HZ   LYS  18          3HZ       LYS  18  13.189   1.571  -8.614
  162    H    CYS  19           H        CYS  19  12.709  -0.797  -0.855
  163    HA   CYS  19           HA       CYS  19  11.773   1.272   0.542
  164   1HB   CYS  19          2HB       CYS  19  13.707  -0.834   1.508
  165   2HB   CYS  19          1HB       CYS  19  12.966   0.322   2.615
  166    H    ASP  20           H        ASP  20  15.280   0.756   0.115
  167    HA   ASP  20           HA       ASP  20  16.339   2.740   1.741
  168   1HB   ASP  20          2HB       ASP  20  17.631   1.175   0.236
  169   2HB   ASP  20          1HB       ASP  20  17.253   2.254  -1.106
  170    H    VAL  21           H        VAL  21  14.904   3.161  -1.476
  171    HA   VAL  21           HA       VAL  21  15.093   6.119  -1.129
  172    HB   VAL  21           HB       VAL  21  14.159   4.731  -3.629
  173   1HG1  VAL  21          1HG1      VAL  21  15.666   7.302  -3.066
  174   2HG1  VAL  21          2HG1      VAL  21  13.963   7.173  -3.501
  175   3HG1  VAL  21          3HG1      VAL  21  15.206   6.730  -4.669
  176   1HG2  VAL  21          1HG2      VAL  21  16.228   3.591  -3.092
  177   2HG2  VAL  21          2HG2      VAL  21  17.017   5.117  -2.697
  178   3HG2  VAL  21          3HG2      VAL  21  16.569   4.762  -4.366
  179    H    GLU  22           H        GLU  22  12.842   3.433  -1.500
  180    HA   GLU  22           HA       GLU  22  10.463   4.902  -1.982
  181   1HB   GLU  22          2HB       GLU  22  11.097   2.231  -1.474
  182   2HB   GLU  22          1HB       GLU  22  10.083   2.680  -0.103
  183   1HG   GLU  22          2HG       GLU  22   8.636   1.869  -1.865
  184   2HG   GLU  22          1HG       GLU  22   8.412   3.614  -1.737
  185    H    MET  23           H        MET  23  12.593   5.102   0.579
  186    HA   MET  23           HA       MET  23  10.528   6.442   2.284
  187   1HB   MET  23          2HB       MET  23  12.867   4.830   3.340
  188   2HB   MET  23          1HB       MET  23  11.565   5.560   4.279
  189   1HG   MET  23          2HG       MET  23   9.943   4.048   3.363
  190   2HG   MET  23          1HG       MET  23  11.085   3.456   2.157
  191   1HE   MET  23          1HE       MET  23  11.082   2.814   6.665
  192   2HE   MET  23          2HE       MET  23  10.389   4.128   5.719
  193   3HE   MET  23          3HE       MET  23  12.115   4.120   6.066
  194    H    ALA  24           H        ALA  24  14.043   6.082   1.681
  195    HA   ALA  24           HA       ALA  24  14.703   8.575   2.981
  196   1HB   ALA  24          1HB       ALA  24  16.375   7.291   0.822
  197   2HB   ALA  24          2HB       ALA  24  16.265   6.583   2.434
  198   3HB   ALA  24          3HB       ALA  24  16.912   8.209   2.228
  199    H    LYS  25           H        LYS  25  12.970   8.041   0.227
  200    HA   LYS  25           HA       LYS  25  14.067   9.876  -1.646
  201   1HB   LYS  25          2HB       LYS  25  11.645  10.071  -2.455
  202   2HB   LYS  25          1HB       LYS  25  12.333   8.453  -2.426
  203   1HG   LYS  25          2HG       LYS  25  11.307   8.310  -0.027
  204   2HG   LYS  25          1HG       LYS  25  10.321   9.675  -0.544
  205   1HD   LYS  25          2HD       LYS  25  10.546   7.149  -2.187
  206   2HD   LYS  25          1HD       LYS  25   9.341   7.329  -0.917
  207   1HE   LYS  25          2HE       LYS  25   9.358   9.675  -2.633
  208   2HE   LYS  25          1HE       LYS  25   9.119   8.211  -3.584
  209   1HZ   LYS  25          1HZ       LYS  25   7.160   9.465  -2.310
  210   2HZ   LYS  25          2HZ       LYS  25   7.625   8.367  -1.101
  211   3HZ   LYS  25          3HZ       LYS  25   7.145   7.800  -2.628
  212    H    ALA  26           H        ALA  26  11.369  11.487  -1.654
  213    HA   ALA  26           HA       ALA  26  12.237  13.465   0.427
  214   1HB   ALA  26          1HB       ALA  26  12.726  14.339  -1.771
  215   2HB   ALA  26          2HB       ALA  26  11.322  15.201  -1.141
  216   3HB   ALA  26          3HB       ALA  26  11.108  13.928  -2.343
  217    H    LEU  27           H        LEU  27   9.620  11.560  -0.776
  218    HA   LEU  27           HA       LEU  27   7.558  13.292   0.393
  219   1HB   LEU  27          2HB       LEU  27   6.572  12.255  -1.384
  220   2HB   LEU  27          1HB       LEU  27   7.689  10.899  -1.338
  221    HG   LEU  27           HG       LEU  27   5.468  11.244   0.689
  222   1HD1  LEU  27          1HD1      LEU  27   4.548  11.134  -1.616
  223   2HD1  LEU  27          2HD1      LEU  27   4.149   9.700  -0.671
  224   3HD1  LEU  27          3HD1      LEU  27   5.433   9.631  -1.876
  225   1HD2  LEU  27          1HD2      LEU  27   7.670   9.405   0.362
  226   2HD2  LEU  27          2HD2      LEU  27   6.162   8.525   0.122
  227   3HD2  LEU  27          3HD2      LEU  27   6.431   9.420   1.615
  228    H    PHE  28           H        PHE  28   9.719  10.948   1.533
  229    HA   PHE  28           HA       PHE  28   7.951  10.386   3.892
  230   1HB   PHE  28          2HB       PHE  28   9.850   8.685   2.354
  231   2HB   PHE  28          1HB       PHE  28   9.865   8.476   4.101
  232    HD1  PHE  28           1HD      PHE  28   7.324   8.542   5.140
  233    HD2  PHE  28           2HD      PHE  28   8.423   7.253   1.195
  234    HE1  PHE  28           1HE      PHE  28   5.254   7.186   5.008
  235    HE2  PHE  28           2HE      PHE  28   6.354   5.896   1.061
  236    HZ   PHE  28           HZ       PHE  28   4.768   5.863   2.967
  237    H    ASP  29           H        ASP  29  11.387  10.762   2.970
  238    HA   ASP  29           HA       ASP  29  12.972  12.203   4.006
  239   1HB   ASP  29          2HB       ASP  29  10.857  13.289   5.143
  240   2HB   ASP  29          1HB       ASP  29  11.357  12.333   6.538
  241    H    CYS  30           H        CYS  30  12.902   9.350   4.023
  242    HA   CYS  30           HA       CYS  30  13.944   7.531   5.069
  243   1HB   CYS  30          2HB       CYS  30  15.868   9.073   4.920
  244   2HB   CYS  30          1HB       CYS  30  15.429   9.768   6.478
  245    H    LYS  31           H        LYS  31  11.699   7.327   6.199
  246    HA   LYS  31           HA       LYS  31  11.615   8.088   9.021
  247   1HB   LYS  31          2HB       LYS  31   9.854   6.060   7.628
  248   2HB   LYS  31          1HB       LYS  31   9.480   6.986   9.076
  249   1HG   LYS  31          2HG       LYS  31   9.871   8.116   6.293
  250   2HG   LYS  31          1HG       LYS  31   8.330   7.933   7.122
  251   1HD   LYS  31          2HD       LYS  31  10.626   9.738   7.931
  252   2HD   LYS  31          1HD       LYS  31   9.044  10.233   7.343
  253   1HE   LYS  31          2HE       LYS  31   8.143   8.853   9.387
  254   2HE   LYS  31          1HE       LYS  31   9.776   9.074  10.015
  255   1HZ   LYS  31          1HZ       LYS  31   9.549  11.425   9.842
  256   2HZ   LYS  31          2HZ       LYS  31   8.194  10.835  10.680
  257   3HZ   LYS  31          3HZ       LYS  31   8.057  11.288   9.048
  258    H    LYS  32           H        LYS  32  10.335   5.216   9.357
  259    HA   LYS  32           HA       LYS  32  12.867   3.679   9.689
  260   1HB   LYS  32          2HB       LYS  32  12.218   3.054  11.987
  261   2HB   LYS  32          1HB       LYS  32  12.435   4.799  11.846
  262   1HG   LYS  32          2HG       LYS  32   9.958   5.012  11.478
  263   2HG   LYS  32          1HG       LYS  32   9.806   3.290  11.826
  264   1HD   LYS  32          2HD       LYS  32  11.160   5.186  13.751
  265   2HD   LYS  32          1HD       LYS  32   9.419   4.909  13.791
  266   1HE   LYS  32          2HE       LYS  32   9.945   2.416  13.934
  267   2HE   LYS  32          1HE       LYS  32  11.624   2.878  14.215
  268   1HZ   LYS  32          1HZ       LYS  32  10.247   2.527  16.256
  269   2HZ   LYS  32          2HZ       LYS  32   9.368   3.917  15.831
  270   3HZ   LYS  32          3HZ       LYS  32  11.029   4.029  16.169
  271    H    THR  33           H        THR  33   9.347   3.741   9.498
  272    HA   THR  33           HA       THR  33   9.429   0.894   8.604
  273    HB   THR  33           HB       THR  33   7.230   1.966  10.383
  274    HG1  THR  33           1HG      THR  33   9.736   1.410  11.054
  275   1HG2  THR  33          1HG2      THR  33   6.651  -0.353  10.632
  276   2HG2  THR  33          2HG2      THR  33   8.139  -0.868   9.838
  277   3HG2  THR  33          3HG2      THR  33   6.876  -0.063   8.907
  278    H    ASN  34           H        ASN  34   8.274   0.602   6.743
  279    HA   ASN  34           HA       ASN  34   6.120   2.542   6.066
  280   1HB   ASN  34          2HB       ASN  34   8.661   2.079   4.528
  281   2HB   ASN  34          1HB       ASN  34   7.182   2.477   3.659
  282   1HD2  ASN  34          1HD2      ASN  34   7.622   4.659   3.091
  283   2HD2  ASN  34          2HD2      ASN  34   7.915   5.882   4.232
  284    H    THR  35           H        THR  35   4.631   1.719   4.496
  285    HA   THR  35           HA       THR  35   4.971  -1.135   3.717
  286    HB   THR  35           HB       THR  35   2.611   0.048   5.204
  287    HG1  THR  35           1HG      THR  35   3.285  -1.193   6.780
  288   1HG2  THR  35          1HG2      THR  35   2.874  -2.476   3.574
  289   2HG2  THR  35          2HG2      THR  35   1.587  -1.271   3.534
  290   3HG2  THR  35          3HG2      THR  35   1.726  -2.365   4.910
  291    H    PHE  36           H        PHE  36   3.658  -1.732   1.879
  292    HA   PHE  36           HA       PHE  36   2.051   0.357   0.560
  293   1HB   PHE  36          2HB       PHE  36   4.082  -0.771  -1.287
  294   2HB   PHE  36          1HB       PHE  36   3.413   0.851  -1.220
  295    HD1  PHE  36           1HD      PHE  36   4.850   2.571  -0.584
  296    HD2  PHE  36           2HD      PHE  36   5.579  -1.403   0.850
  297    HE1  PHE  36           1HE      PHE  36   6.926   3.352   0.524
  298    HE2  PHE  36           2HE      PHE  36   7.651  -0.630   1.961
  299    HZ   PHE  36           HZ       PHE  36   8.328   1.750   1.793
  300    H    ILE  37           H        ILE  37   1.263  -0.679  -1.681
  301    HA   ILE  37           HA       ILE  37   0.893  -3.613  -1.222
  302    HB   ILE  37           HB       ILE  37  -1.161  -1.673  -2.297
  303   1HG1  ILE  37          2HG1      ILE  37  -1.383  -3.150   0.317
  304   2HG1  ILE  37          1HG1      ILE  37  -0.477  -1.642   0.253
  305   1HG2  ILE  37          1HG2      ILE  37  -1.572  -3.818  -3.236
  306   2HG2  ILE  37          2HG2      ILE  37  -2.654  -3.711  -1.847
  307   3HG2  ILE  37          3HG2      ILE  37  -1.158  -4.638  -1.730
  308   1HD1  ILE  37          1HD1      ILE  37  -3.123  -1.555  -1.074
  309   2HD1  ILE  37          2HD1      ILE  37  -2.349  -0.377  -0.013
  310   3HD1  ILE  37          3HD1      ILE  37  -3.166  -1.778   0.675
  311    H    TYR  38           H        TYR  38   1.204  -4.920  -2.959
  312    HA   TYR  38           HA       TYR  38   2.096  -3.591  -5.471
  313   1HB   TYR  38          2HB       TYR  38   3.575  -5.312  -4.514
  314   2HB   TYR  38          1HB       TYR  38   2.262  -6.487  -4.580
  315    HD1  TYR  38           1HD      TYR  38   3.914  -4.003  -6.868
  316    HD2  TYR  38           2HD      TYR  38   2.256  -7.939  -6.399
  317    HE1  TYR  38           1HE      TYR  38   4.499  -4.531  -9.220
  318    HE2  TYR  38           2HE      TYR  38   2.843  -8.466  -8.749
  319    HH   TYR  38           HH       TYR  38   3.239  -7.128 -10.888
  320    H    ALA  39           H        ALA  39   0.169  -3.055  -6.532
  321    HA   ALA  39           HA       ALA  39  -1.352  -5.352  -7.615
  322   1HB   ALA  39          1HB       ALA  39  -2.498  -4.554  -5.481
  323   2HB   ALA  39          2HB       ALA  39  -3.501  -4.543  -6.931
  324   3HB   ALA  39          3HB       ALA  39  -2.813  -3.036  -6.322
  325    H    LEU  40           H        LEU  40  -2.500  -4.785  -9.569
  326    HA   LEU  40           HA       LEU  40  -1.282  -2.516 -10.952
  327   1HB   LEU  40          2HB       LEU  40  -1.864  -3.582 -12.895
  328   2HB   LEU  40          1HB       LEU  40  -1.945  -4.962 -11.809
  329    HG   LEU  40           HG       LEU  40  -4.464  -4.121 -11.505
  330   1HD1  LEU  40          1HD1      LEU  40  -3.931  -3.377 -14.379
  331   2HD1  LEU  40          2HD1      LEU  40  -3.859  -2.165 -13.105
  332   3HD1  LEU  40          3HD1      LEU  40  -5.356  -3.041 -13.402
  333   1HD2  LEU  40          1HD2      LEU  40  -3.291  -5.739 -13.775
  334   2HD2  LEU  40          2HD2      LEU  40  -5.030  -5.613 -13.506
  335   3HD2  LEU  40          3HD2      LEU  40  -3.997  -6.333 -12.272
  336    HA   PRO  41           HA       PRO  41  -4.255   0.624 -10.076
  337   1HB   PRO  41          2HB       PRO  41  -4.347   1.138 -13.010
  338   2HB   PRO  41          1HB       PRO  41  -4.008   2.256 -11.678
  339   1HG   PRO  41          2HG       PRO  41  -2.098   1.257 -13.310
  340   2HG   PRO  41          1HG       PRO  41  -1.799   1.737 -11.633
  341   1HD   PRO  41          2HD       PRO  41  -1.865  -0.970 -12.801
  342   2HD   PRO  41          1HD       PRO  41  -1.158  -0.417 -11.268
  343    H    GLY  42           H        GLY  42  -5.085  -0.909 -13.209
  344   1HA   GLY  42          2HA       GLY  42  -7.837  -0.422 -13.171
  345   2HA   GLY  42          1HA       GLY  42  -7.127  -1.837 -13.940
  346    H    ARG  43           H        ARG  43  -6.233  -3.347 -11.857
  347    HA   ARG  43           HA       ARG  43  -8.620  -4.510 -10.822
  348   1HB   ARG  43          2HB       ARG  43  -6.456  -5.726 -11.126
  349   2HB   ARG  43          1HB       ARG  43  -5.808  -4.840  -9.746
  350   1HG   ARG  43          2HG       ARG  43  -7.337  -5.850  -8.237
  351   2HG   ARG  43          1HG       ARG  43  -8.365  -6.436  -9.545
  352   1HD   ARG  43          2HD       ARG  43  -6.562  -7.955 -10.281
  353   2HD   ARG  43          1HD       ARG  43  -5.539  -7.376  -8.965
  354    HE   ARG  43           HE       ARG  43  -7.850  -8.241  -7.693
  355   1HH1  ARG  43          1HH2      ARG  43  -5.561  -9.546  -9.916
  356   2HH1  ARG  43          2HH2      ARG  43  -5.737 -11.173  -9.347
  357   1HH2  ARG  43          1HH1      ARG  43  -8.093 -10.356  -6.938
  358   2HH2  ARG  43          2HH1      ARG  43  -7.170 -11.631  -7.662
  359    H    VAL  44           H        VAL  44  -6.479  -2.035  -9.540
  360    HA   VAL  44           HA       VAL  44  -7.526  -2.209  -6.827
  361    HB   VAL  44           HB       VAL  44  -5.933  -0.050  -8.238
  362   1HG1  VAL  44          1HG1      VAL  44  -7.007   1.062  -6.446
  363   2HG1  VAL  44          2HG1      VAL  44  -5.445   0.587  -5.778
  364   3HG1  VAL  44          3HG1      VAL  44  -6.890  -0.346  -5.390
  365   1HG2  VAL  44          1HG2      VAL  44  -4.027  -1.016  -7.197
  366   2HG2  VAL  44          2HG2      VAL  44  -4.937  -2.395  -7.814
  367   3HG2  VAL  44          3HG2      VAL  44  -5.014  -1.982  -6.101
  368    H    LYS  45           H        LYS  45  -7.857   0.302  -9.373
  369    HA   LYS  45           HA       LYS  45  -9.987   1.671  -8.005
  370   1HB   LYS  45          2HB       LYS  45 -10.295   2.889 -10.086
  371   2HB   LYS  45          1HB       LYS  45  -8.565   2.678  -9.814
  372   1HG   LYS  45          2HG       LYS  45  -8.779   0.548 -11.251
  373   2HG   LYS  45          1HG       LYS  45 -10.349   1.185 -11.740
  374   1HD   LYS  45          2HD       LYS  45  -7.688   2.613 -12.040
  375   2HD   LYS  45          1HD       LYS  45  -8.603   1.856 -13.344
  376   1HE   LYS  45          2HE       LYS  45  -9.355   4.281 -11.705
  377   2HE   LYS  45          1HE       LYS  45  -9.168   4.164 -13.455
  378   1HZ   LYS  45          1HZ       LYS  45 -11.036   2.378 -13.167
  379   2HZ   LYS  45          2HZ       LYS  45 -11.419   4.031 -13.266
  380   3HZ   LYS  45          3HZ       LYS  45 -11.374   3.255 -11.755
  381    H    ALA  46           H        ALA  46  -9.865  -1.183  -9.920
  382    HA   ALA  46           HA       ALA  46 -12.614  -1.176 -10.830
  383   1HB   ALA  46          1HB       ALA  46 -11.084  -2.577 -12.018
  384   2HB   ALA  46          2HB       ALA  46 -12.137  -3.677 -11.129
  385   3HB   ALA  46          3HB       ALA  46 -10.516  -3.334 -10.530
  386    H    LEU  47           H        LEU  47 -10.929  -2.806  -8.126
  387    HA   LEU  47           HA       LEU  47 -13.128  -4.175  -7.047
  388   1HB   LEU  47          2HB       LEU  47 -10.490  -3.767  -6.317
  389   2HB   LEU  47          1HB       LEU  47 -11.365  -2.959  -5.018
  390    HG   LEU  47           HG       LEU  47 -12.824  -5.133  -5.000
  391   1HD1  LEU  47          1HD1      LEU  47 -11.794  -7.114  -5.815
  392   2HD1  LEU  47          2HD1      LEU  47 -10.254  -6.296  -6.081
  393   3HD1  LEU  47          3HD1      LEU  47 -11.631  -5.947  -7.126
  394   1HD2  LEU  47          1HD2      LEU  47 -11.262  -6.162  -3.393
  395   2HD2  LEU  47          2HD2      LEU  47 -11.315  -4.413  -3.174
  396   3HD2  LEU  47          3HD2      LEU  47  -9.954  -5.154  -4.015
  397    H    CYS  48           H        CYS  48 -12.896  -0.873  -7.507
  398    HA   CYS  48           HA       CYS  48 -14.947  -0.371  -5.380
  399   1HB   CYS  48          2HB       CYS  48 -12.544   1.237  -6.186
  400   2HB   CYS  48          1HB       CYS  48 -13.977   2.080  -5.604
  401    H    LYS  49           H        LYS  49 -15.145  -1.118  -8.288
  402    HA   LYS  49           HA       LYS  49 -16.073   1.314  -9.619
  403   1HB   LYS  49          2HB       LYS  49 -16.503  -0.083 -11.501
  404   2HB   LYS  49          1HB       LYS  49 -15.036  -0.727 -10.762
  405   1HG   LYS  49          2HG       LYS  49 -16.664  -2.275  -9.435
  406   2HG   LYS  49          1HG       LYS  49 -17.832  -1.848 -10.687
  407   1HD   LYS  49          2HD       LYS  49 -16.031  -2.519 -12.383
  408   2HD   LYS  49          1HD       LYS  49 -15.173  -3.246 -11.024
  409   1HE   LYS  49          2HE       LYS  49 -17.832  -4.014 -12.204
  410   2HE   LYS  49          1HE       LYS  49 -16.448  -5.042 -11.831
  411   1HZ   LYS  49          1HZ       LYS  49 -16.887  -4.374  -9.430
  412   2HZ   LYS  49          2HZ       LYS  49 -17.965  -5.477 -10.143
  413   3HZ   LYS  49          3HZ       LYS  49 -18.405  -3.845  -9.970
  414    H    ASN  50           H        ASN  50 -18.033   2.191  -9.227
  415    HA   ASN  50           HA       ASN  50 -20.235   2.391  -8.421
  416   1HB   ASN  50          2HB       ASN  50 -20.276  -0.130 -10.088
  417   2HB   ASN  50          1HB       ASN  50 -21.741   0.525  -9.356
  418   1HD2  ASN  50          1HD2      ASN  50 -19.691   0.756 -12.088
  419   2HD2  ASN  50          2HD2      ASN  50 -20.313   2.202 -12.724
  420    H    ILE  51           H        ILE  51 -19.094   1.851  -6.221
  421    HA   ILE  51           HA       ILE  51 -20.001  -0.762  -5.138
  422    HB   ILE  51           HB       ILE  51 -18.684   0.291  -3.078
  423   1HG1  ILE  51          2HG1      ILE  51 -17.367   1.663  -5.433
  424   2HG1  ILE  51          1HG1      ILE  51 -18.470   2.491  -4.332
  425   1HG2  ILE  51          1HG2      ILE  51 -17.254  -0.702  -5.550
  426   2HG2  ILE  51          2HG2      ILE  51 -18.060  -1.739  -4.373
  427   3HG2  ILE  51          3HG2      ILE  51 -16.661  -0.780  -3.891
  428   1HD1  ILE  51          1HD1      ILE  51 -15.969   2.676  -3.789
  429   2HD1  ILE  51          2HD1      ILE  51 -16.053   0.974  -3.334
  430   3HD1  ILE  51          3HD1      ILE  51 -17.023   2.167  -2.471
  431    H    ARG  52           H        ARG  52 -19.627   1.785  -2.910
  432    HA   ARG  52           HA       ARG  52 -22.535   2.391  -2.863
  433   1HB   ARG  52          2HB       ARG  52 -22.046   0.410  -1.354
  434   2HB   ARG  52          1HB       ARG  52 -21.055   1.498  -0.381
  435   1HG   ARG  52          2HG       ARG  52 -23.089   3.018  -0.219
  436   2HG   ARG  52          1HG       ARG  52 -24.025   1.700  -0.925
  437   1HD   ARG  52          2HD       ARG  52 -23.349   0.214   0.915
  438   2HD   ARG  52          1HD       ARG  52 -22.379   1.509   1.615
  439    HE   ARG  52           HE       ARG  52 -24.368   2.470   2.454
  440   1HH1  ARG  52          1HH2      ARG  52 -24.976   0.131  -0.004
  441   2HH1  ARG  52          2HH2      ARG  52 -26.693   0.146   0.220
  442   1HH2  ARG  52          1HH1      ARG  52 -26.607   2.504   2.761
  443   2HH2  ARG  52          2HH1      ARG  52 -27.616   1.489   1.785
  444    H    ASP  53           H        ASP  53 -20.012   2.933  -0.432
  445    HA   ASP  53           HA       ASP  53 -19.489   5.669  -1.216
  446   1HB   ASP  53          2HB       ASP  53 -20.666   6.816   0.574
  447   2HB   ASP  53          1HB       ASP  53 -21.832   5.878  -0.361
  448    H    ASN  54           H        ASN  54 -19.110   6.614   1.469
  449    HA   ASN  54           HA       ASN  54 -16.477   5.612   1.965
  450   1HB   ASN  54          2HB       ASN  54 -18.297   7.138   3.850
  451   2HB   ASN  54          1HB       ASN  54 -16.547   6.980   3.999
  452   1HD2  ASN  54          1HD2      ASN  54 -19.108   8.359   1.914
  453   2HD2  ASN  54          2HD2      ASN  54 -18.106   9.511   1.173
  454    H    THR  55           H        THR  55 -16.222   3.491   2.543
  455    HA   THR  55           HA       THR  55 -17.323   2.625   5.118
  456    HB   THR  55           HB       THR  55 -17.923   0.806   2.799
  457    HG1  THR  55           1HG      THR  55 -19.346   3.085   3.640
  458   1HG2  THR  55          1HG2      THR  55 -18.122  -0.061   5.084
  459   2HG2  THR  55          2HG2      THR  55 -19.717   0.067   4.343
  460   3HG2  THR  55          3HG2      THR  55 -19.189   1.276   5.513
  461    H    ASP  56           H        ASP  56 -16.464   0.368   5.641
  462    HA   ASP  56           HA       ASP  56 -13.670   0.196   4.664
  463   1HB   ASP  56          2HB       ASP  56 -13.390  -1.397   6.565
  464   2HB   ASP  56          1HB       ASP  56 -13.986   0.180   7.082
  465    H    VAL  57           H        VAL  57 -12.787  -1.830   3.917
  466    HA   VAL  57           HA       VAL  57 -14.746  -3.956   3.223
  467    HB   VAL  57           HB       VAL  57 -13.615  -4.012   0.897
  468   1HG1  VAL  57          1HG1      VAL  57 -15.404  -1.679   1.653
  469   2HG1  VAL  57          2HG1      VAL  57 -15.953  -3.313   1.284
  470   3HG1  VAL  57          3HG1      VAL  57 -15.202  -2.331   0.027
  471   1HG2  VAL  57          1HG2      VAL  57 -12.525  -2.057   0.134
  472   2HG2  VAL  57          2HG2      VAL  57 -11.858  -2.302   1.747
  473   3HG2  VAL  57          3HG2      VAL  57 -13.116  -1.093   1.488
  474    H    LEU  58           H        LEU  58 -13.482  -5.895   2.270
  475    HA   LEU  58           HA       LEU  58 -10.745  -6.081   3.468
  476   1HB   LEU  58          2HB       LEU  58 -13.057  -7.291   4.507
  477   2HB   LEU  58          1HB       LEU  58 -12.277  -8.582   3.604
  478    HG   LEU  58           HG       LEU  58 -11.548  -8.501   5.976
  479   1HD1  LEU  58          1HD1      LEU  58  -9.992  -9.484   4.472
  480   2HD1  LEU  58          2HD1      LEU  58  -9.051  -8.372   5.464
  481   3HD1  LEU  58          3HD1      LEU  58  -9.507  -7.918   3.827
  482   1HD2  LEU  58          1HD2      LEU  58 -11.541  -5.747   5.610
  483   2HD2  LEU  58          2HD2      LEU  58  -9.825  -6.152   5.643
  484   3HD2  LEU  58          3HD2      LEU  58 -10.863  -6.603   6.992
  485    H    SER  59           H        SER  59  -9.272  -7.254   2.176
  486    HA   SER  59           HA       SER  59  -9.845  -7.631  -0.564
  487   1HB   SER  59          2HB       SER  59  -7.582  -7.726  -0.360
  488   2HB   SER  59          1HB       SER  59  -7.663  -8.396   1.261
  489    HG   SER  59           HG       SER  59  -8.382  -9.910  -1.013
  490    H    ARG  60           H        ARG  60 -10.119  -9.651  -1.781
  491    HA   ARG  60           HA       ARG  60 -12.096 -11.366  -0.500
  492   1HB   ARG  60          2HB       ARG  60 -10.830 -11.406  -3.250
  493   2HB   ARG  60          1HB       ARG  60 -12.103 -12.514  -2.744
  494   1HG   ARG  60          2HG       ARG  60 -12.533  -9.568  -2.357
  495   2HG   ARG  60          1HG       ARG  60 -12.704 -10.239  -3.978
  496   1HD   ARG  60          2HD       ARG  60 -14.323 -11.904  -3.104
  497   2HD   ARG  60          1HD       ARG  60 -14.183 -11.180  -1.502
  498    HE   ARG  60           HE       ARG  60 -14.900  -9.024  -3.000
  499   1HH1  ARG  60          1HH2      ARG  60 -16.044 -12.274  -2.832
  500   2HH1  ARG  60          2HH2      ARG  60 -17.668 -11.864  -3.271
  501   1HH2  ARG  60          1HH1      ARG  60 -17.015  -8.472  -3.573
  502   2HH2  ARG  60          2HH1      ARG  60 -18.218  -9.713  -3.690
  503    H    ASP  61           H        ASP  61  -8.735 -11.453  -0.490
  504    HA   ASP  61           HA       ASP  61  -8.726 -14.123   0.635
  505   1HB   ASP  61          2HB       ASP  61  -7.098 -15.001  -1.172
  506   2HB   ASP  61          1HB       ASP  61  -8.816 -14.967  -1.573
  507    H    ALA  62           H        ALA  62  -6.114 -12.760  -1.335
  508    HA   ALA  62           HA       ALA  62  -4.798 -11.718   1.099
  509   1HB   ALA  62          1HB       ALA  62  -2.753 -13.026   0.698
  510   2HB   ALA  62          2HB       ALA  62  -3.535 -13.844  -0.655
  511   3HB   ALA  62          3HB       ALA  62  -4.126 -14.095   0.989
  512    H    PHE  63           H        PHE  63  -2.665 -10.641   0.476
  513    HA   PHE  63           HA       PHE  63  -2.477  -9.819  -2.354
  514   1HB   PHE  63          2HB       PHE  63  -3.424  -8.049  -0.132
  515   2HB   PHE  63          1HB       PHE  63  -2.342  -7.346  -1.334
  516    HD1  PHE  63           1HD      PHE  63  -5.604  -9.042  -0.836
  517    HD2  PHE  63           2HD      PHE  63  -3.062  -6.941  -3.588
  518    HE1  PHE  63           1HE      PHE  63  -7.498  -8.831  -2.425
  519    HE2  PHE  63           2HE      PHE  63  -4.957  -6.729  -5.176
  520    HZ   PHE  63           HZ       PHE  63  -7.174  -7.675  -4.594
  521    H    LEU  64           H        LEU  64  -0.356  -9.590  -2.870
  522    HA   LEU  64           HA       LEU  64   1.661  -9.912  -0.776
  523   1HB   LEU  64          2HB       LEU  64   1.719 -10.909  -3.149
  524   2HB   LEU  64          1HB       LEU  64   2.168  -9.297  -3.693
  525    HG   LEU  64           HG       LEU  64   3.686 -10.637  -1.452
  526   1HD1  LEU  64          1HD1      LEU  64   5.324 -11.303  -3.313
  527   2HD1  LEU  64          2HD1      LEU  64   3.983 -11.053  -4.430
  528   3HD1  LEU  64          3HD1      LEU  64   3.860 -12.275  -3.164
  529   1HD2  LEU  64          1HD2      LEU  64   4.172  -8.394  -3.420
  530   2HD2  LEU  64          2HD2      LEU  64   5.523  -9.206  -2.632
  531   3HD2  LEU  64          3HD2      LEU  64   4.313  -8.371  -1.662
  532    H    LEU  65           H        LEU  65   2.242  -8.122   0.405
  533    HA   LEU  65           HA       LEU  65   2.514  -5.555  -1.100
  534   1HB   LEU  65          2HB       LEU  65   2.324  -4.952   1.657
  535   2HB   LEU  65          1HB       LEU  65   1.153  -4.594   0.404
  536    HG   LEU  65           HG       LEU  65   1.203  -7.313   1.673
  537   1HD1  LEU  65          1HD1      LEU  65  -0.538  -6.366   3.248
  538   2HD1  LEU  65          2HD1      LEU  65  -0.059  -4.758   2.707
  539   3HD1  LEU  65          3HD1      LEU  65   1.102  -5.787   3.546
  540   1HD2  LEU  65          1HD2      LEU  65  -0.165  -6.932  -0.359
  541   2HD2  LEU  65          2HD2      LEU  65  -0.946  -5.560   0.421
  542   3HD2  LEU  65          3HD2      LEU  65  -1.202  -7.189   1.042
  543    HA   PRO  66           HA       PRO  66   6.762  -5.829   0.305
  544   1HB   PRO  66          2HB       PRO  66   7.561  -3.355  -0.551
  545   2HB   PRO  66          1HB       PRO  66   7.372  -4.742  -1.639
  546   1HG   PRO  66          2HG       PRO  66   5.594  -2.413  -1.223
  547   2HG   PRO  66          1HG       PRO  66   5.908  -3.349  -2.690
  548   1HD   PRO  66          2HD       PRO  66   3.642  -3.609  -1.117
  549   2HD   PRO  66          1HD       PRO  66   4.245  -4.845  -2.243
  550    H    GLN  67           H        GLN  67   7.946  -4.952   2.145
  551    HA   GLN  67           HA       GLN  67   6.716  -2.622   3.509
  552   1HB   GLN  67          2HB       GLN  67   7.171  -5.254   4.939
  553   2HB   GLN  67          1HB       GLN  67   6.465  -3.788   5.618
  554   1HG   GLN  67          2HG       GLN  67   4.640  -3.964   3.882
  555   2HG   GLN  67          1HG       GLN  67   5.292  -5.544   3.446
  556   1HE2  GLN  67          1HE2      GLN  67   3.614  -3.750   6.002
  557   2HE2  GLN  67          2HE2      GLN  67   3.185  -5.113   6.919
  558    H    CYS  68           H        CYS  68   8.244  -1.345   4.444
  559    HA   CYS  68           HA       CYS  68  11.048  -2.357   4.456
  560   1HB   CYS  68          2HB       CYS  68  10.155   0.453   5.098
  561   2HB   CYS  68          1HB       CYS  68  11.728  -0.088   4.514
  562    H    ASP  69           H        ASP  69  12.192  -2.633   6.352
  563    HA   ASP  69           HA       ASP  69  10.877  -1.783   8.902
  564   1HB   ASP  69          2HB       ASP  69  11.836  -4.527   8.107
  565   2HB   ASP  69          1HB       ASP  69  11.778  -4.049   9.804
  566    H    ARG  70           H        ARG  70  12.302  -0.484   9.937
  567    HA   ARG  70           HA       ARG  70  15.091  -0.316   9.269
  568   1HB   ARG  70          2HB       ARG  70  13.596   1.449  10.423
  569   2HB   ARG  70          1HB       ARG  70  13.916   0.559  11.911
  570   1HG   ARG  70          2HG       ARG  70  16.414   0.759  11.261
  571   2HG   ARG  70          1HG       ARG  70  15.879   2.001  10.129
  572   1HD   ARG  70          2HD       ARG  70  14.884   3.286  11.952
  573   2HD   ARG  70          1HD       ARG  70  15.297   2.018  13.106
  574    HE   ARG  70           HE       ARG  70  17.595   3.103  11.643
  575   1HH1  ARG  70          1HH2      ARG  70  15.496   3.285  14.376
  576   2HH1  ARG  70          2HH2      ARG  70  16.647   4.113  15.370
  577   1HH2  ARG  70          1HH1      ARG  70  19.107   4.182  12.929
  578   2HH2  ARG  70          2HH1      ARG  70  18.691   4.621  14.552
  579    H    ILE  71           H        ILE  71  16.917  -0.986  10.578
  580    HA   ILE  71           HA       ILE  71  16.474  -2.776  12.847
  581    HB   ILE  71           HB       ILE  71  16.038  -4.251  10.872
  582   1HG1  ILE  71          2HG1      ILE  71  18.632  -4.893  12.312
  583   2HG1  ILE  71          1HG1      ILE  71  17.029  -5.099  13.020
  584   1HG2  ILE  71          1HG2      ILE  71  18.973  -3.887  10.243
  585   2HG2  ILE  71          2HG2      ILE  71  17.719  -2.955   9.426
  586   3HG2  ILE  71          3HG2      ILE  71  17.747  -4.712   9.280
  587   1HD1  ILE  71          1HD1      ILE  71  17.756  -7.231  12.095
  588   2HD1  ILE  71          2HD1      ILE  71  18.096  -6.476  10.538
  589   3HD1  ILE  71          3HD1      ILE  71  16.432  -6.605  11.112
  590    H    LYS  72           H        LYS  72  18.693  -1.385  10.463
  591    HA   LYS  72           HA       LYS  72  20.692  -1.066  12.641
  592   1HB   LYS  72          2HB       LYS  72  22.503  -1.936  11.261
  593   2HB   LYS  72          1HB       LYS  72  21.253  -3.170  11.416
  594   1HG   LYS  72          2HG       LYS  72  20.293  -2.245   9.219
  595   2HG   LYS  72          1HG       LYS  72  21.826  -1.389   9.045
  596   1HD   LYS  72          2HD       LYS  72  22.958  -3.661   9.419
  597   2HD   LYS  72          1HD       LYS  72  21.364  -4.372   9.159
  598   1HE   LYS  72          2HE       LYS  72  22.470  -4.364   7.026
  599   2HE   LYS  72          1HE       LYS  72  21.262  -3.080   6.977
  600   1HZ   LYS  72          1HZ       LYS  72  23.444  -1.843   7.994
  601   2HZ   LYS  72          2HZ       LYS  72  22.949  -1.782   6.371
  602   3HZ   LYS  72          3HZ       LYS  72  24.126  -2.904   6.860
  603    H    LEU  73           H        LEU  73  22.597   0.313  11.723
  604    HA   LEU  73           HA       LEU  73  23.225   2.422  10.938
  605   1HB   LEU  73          2HB       LEU  73  22.034   0.910   8.744
  606   2HB   LEU  73          1HB       LEU  73  21.815   2.637   8.502
  607    HG   LEU  73           HG       LEU  73  24.323   2.853   9.068
  608   1HD1  LEU  73          1HD1      LEU  73  24.255  -0.093   8.364
  609   2HD1  LEU  73          2HD1      LEU  73  24.460   0.521  10.005
  610   3HD1  LEU  73          3HD1      LEU  73  25.676   0.868   8.775
  611   1HD2  LEU  73          1HD2      LEU  73  23.489   3.150   6.797
  612   2HD2  LEU  73          2HD2      LEU  73  23.397   1.403   6.569
  613   3HD2  LEU  73          3HD2      LEU  73  24.967   2.190   6.739
  614    HA   PRO  74           HA       PRO  74  19.882   5.255  11.696
  615   1HB   PRO  74          2HB       PRO  74  20.676   7.532  10.499
  616   2HB   PRO  74          1HB       PRO  74  21.605   6.813  11.829
  617   1HG   PRO  74          2HG       PRO  74  22.159   6.794   8.913
  618   2HG   PRO  74          1HG       PRO  74  23.286   6.863  10.278
  619   1HD   PRO  74          2HD       PRO  74  22.619   4.552   8.801
  620   2HD   PRO  74          1HD       PRO  74  23.463   4.583  10.363
  621    H    CYS  75           H        CYS  75  20.663   4.928   8.260
  622    HA   CYS  75           HA       CYS  75  17.782   5.436   7.636
  623   1HB   CYS  75          2HB       CYS  75  19.433   7.353   7.044
  624   2HB   CYS  75          1HB       CYS  75  19.995   6.274   5.768
  625    H    HIS  76           H        HIS  76  18.198   2.929   7.923
  626    HA   HIS  76           HA       HIS  76  18.519   1.843   5.172
  627   1HB   HIS  76          2HB       HIS  76  20.668   1.566   6.560
  628   2HB   HIS  76          1HB       HIS  76  19.742   0.450   7.564
  629    HD1  HIS  76           1HD      HIS  76  19.411  -1.896   6.686
  630    HD2  HIS  76           2HD      HIS  76  20.853   0.696   3.752
  631    HE1  HIS  76           1HE      HIS  76  19.962  -3.329   4.669
  632    HE2  HIS  76           2HE      HIS  76  20.840  -1.762   2.879
  633    H    TYR  77           H        TYR  77  17.175   0.020   4.801
  634    HA   TYR  77           HA       TYR  77  15.504  -0.886   7.103
  635   1HB   TYR  77          2HB       TYR  77  14.236  -0.411   4.422
  636   2HB   TYR  77          1HB       TYR  77  13.483  -0.467   6.016
  637    HD1  TYR  77           1HD      TYR  77  14.126   1.390   7.700
  638    HD2  TYR  77           2HD      TYR  77  14.855   1.651   3.474
  639    HE1  TYR  77           1HE      TYR  77  14.336   3.853   7.888
  640    HE2  TYR  77           2HE      TYR  77  15.065   4.115   3.663
  641    HH   TYR  77           HH       TYR  77  14.306   5.797   6.645
  642    H    LYS  78           H        LYS  78  14.317  -2.913   6.591
  643    HA   LYS  78           HA       LYS  78  15.937  -4.636   4.762
  644   1HB   LYS  78          2HB       LYS  78  15.791  -5.213   7.241
  645   2HB   LYS  78          1HB       LYS  78  14.077  -5.536   6.979
  646   1HG   LYS  78          2HG       LYS  78  14.962  -7.661   6.648
  647   2HG   LYS  78          1HG       LYS  78  14.982  -7.044   4.997
  648   1HD   LYS  78          2HD       LYS  78  17.339  -6.387   5.252
  649   2HD   LYS  78          1HD       LYS  78  17.326  -6.950   6.923
  650   1HE   LYS  78          2HE       LYS  78  17.066  -9.218   6.272
  651   2HE   LYS  78          1HE       LYS  78  16.609  -8.776   4.627
  652   1HZ   LYS  78          1HZ       LYS  78  19.273  -8.649   5.896
  653   2HZ   LYS  78          2HZ       LYS  78  18.913  -7.731   4.512
  654   3HZ   LYS  78          3HZ       LYS  78  18.821  -9.427   4.458
  655    H    LEU  79           H        LEU  79  14.847  -5.907   3.224
  656    HA   LEU  79           HA       LEU  79  12.162  -4.934   2.506
  657   1HB   LEU  79          2HB       LEU  79  14.250  -5.514   0.949
  658   2HB   LEU  79          1HB       LEU  79  13.533  -7.124   0.988
  659    HG   LEU  79           HG       LEU  79  12.058  -4.586   0.219
  660   1HD1  LEU  79          1HD1      LEU  79  12.810  -6.873  -1.603
  661   2HD1  LEU  79          2HD1      LEU  79  13.886  -5.496  -1.364
  662   3HD1  LEU  79          3HD1      LEU  79  12.277  -5.250  -2.041
  663   1HD2  LEU  79          1HD2      LEU  79  10.467  -6.118   1.091
  664   2HD2  LEU  79          2HD2      LEU  79  11.294  -7.508   0.386
  665   3HD2  LEU  79          3HD2      LEU  79  10.415  -6.383  -0.651
  666    H    SER  80           H        SER  80  10.384  -5.936   3.269
  667    HA   SER  80           HA       SER  80  10.398  -8.901   3.542
  668   1HB   SER  80          2HB       SER  80  10.810  -8.256   5.800
  669   2HB   SER  80          1HB       SER  80   9.696  -6.895   5.695
  670    HG   SER  80           HG       SER  80   9.130  -9.667   5.765
  671    H    SER  81           H        SER  81   8.584  -9.716   2.590
  672    HA   SER  81           HA       SER  81   6.141  -8.004   2.480
  673   1HB   SER  81          2HB       SER  81   6.928  -9.604   0.064
  674   2HB   SER  81          1HB       SER  81   5.916  -8.166   0.167
  675    HG   SER  81           HG       SER  81   8.574  -7.950   0.982
  676    H    SER  82           H        SER  82   4.181  -9.290   1.976
  677    HA   SER  82           HA       SER  82   4.345 -12.202   2.065
  678   1HB   SER  82          2HB       SER  82   4.681 -11.432   4.485
  679   2HB   SER  82          1HB       SER  82   3.024 -10.838   4.422
  680    HG   SER  82           HG       SER  82   3.200 -13.000   5.220
  681    H    THR  83           H        THR  83   2.135 -13.164   2.009
  682    HA   THR  83           HA       THR  83   0.276 -11.309   0.628
  683    HB   THR  83           HB       THR  83  -0.629 -13.842   0.145
  684    HG1  THR  83           1HG      THR  83   2.167 -13.911   0.522
  685   1HG2  THR  83          1HG2      THR  83  -0.167 -12.105  -1.534
  686   2HG2  THR  83          2HG2      THR  83   0.560 -13.639  -2.013
  687   3HG2  THR  83          3HG2      THR  83   1.565 -12.364  -1.323
  688    H    ASN  84           H        ASN  84  -1.454 -10.672   1.803
  689    HA   ASN  84           HA       ASN  84  -2.964 -12.605   3.401
  690   1HB   ASN  84          2HB       ASN  84  -1.272 -12.005   5.046
  691   2HB   ASN  84          1HB       ASN  84  -1.528 -10.289   4.734
  692   1HD2  ASN  84          1HD2      ASN  84  -2.203  -9.928   6.984
  693   2HD2  ASN  84          2HD2      ASN  84  -3.722 -10.452   7.532
  694    H    THR  85           H        THR  85  -5.071 -11.718   4.014
  695    HA   THR  85           HA       THR  85  -6.094  -9.817   2.134
  696    HB   THR  85           HB       THR  85  -7.733 -10.033   4.534
  697    HG1  THR  85           1HG      THR  85  -6.597 -11.890   4.962
  698   1HG2  THR  85          1HG2      THR  85  -7.931 -10.924   1.657
  699   2HG2  THR  85          2HG2      THR  85  -8.845  -9.665   2.483
  700   3HG2  THR  85          3HG2      THR  85  -9.167 -11.358   2.833
  701    H    ILE  86           H        ILE  86  -6.963  -7.651   2.675
  702    HA   ILE  86           HA       ILE  86  -5.741  -6.418   5.098
  703    HB   ILE  86           HB       ILE  86  -4.440  -4.936   3.931
  704   1HG1  ILE  86          2HG1      ILE  86  -6.623  -4.980   1.822
  705   2HG1  ILE  86          1HG1      ILE  86  -6.223  -3.668   2.931
  706   1HG2  ILE  86          1HG2      ILE  86  -4.916  -6.895   1.667
  707   2HG2  ILE  86          2HG2      ILE  86  -3.877  -7.224   3.053
  708   3HG2  ILE  86          3HG2      ILE  86  -3.471  -5.922   1.941
  709   1HD1  ILE  86          1HD1      ILE  86  -5.236  -3.000   0.895
  710   2HD1  ILE  86          2HD1      ILE  86  -4.677  -4.633   0.530
  711   3HD1  ILE  86          3HD1      ILE  86  -3.893  -3.695   1.804
  712    H    CYS  87           H        CYS  87  -6.757  -4.327   5.641
  713    HA   CYS  87           HA       CYS  87  -9.557  -4.176   4.604
  714   1HB   CYS  87          2HB       CYS  87  -8.950  -4.618   7.144
  715   2HB   CYS  87          1HB       CYS  87  -8.691  -2.879   7.167
  716    H    ILE  88           H        ILE  88 -10.155  -2.301   3.596
  717    HA   ILE  88           HA       ILE  88  -8.500   0.133   3.995
  718    HB   ILE  88           HB       ILE  88  -7.371  -0.320   2.070
  719   1HG1  ILE  88          2HG1      ILE  88 -10.038   0.127   0.694
  720   2HG1  ILE  88          1HG1      ILE  88  -9.052   1.428   1.362
  721   1HG2  ILE  88          1HG2      ILE  88  -8.083  -2.658   2.068
  722   2HG2  ILE  88          2HG2      ILE  88  -8.114  -2.026   0.425
  723   3HG2  ILE  88          3HG2      ILE  88  -9.616  -2.215   1.325
  724   1HD1  ILE  88          1HD1      ILE  88  -7.277  -0.106  -0.199
  725   2HD1  ILE  88          2HD1      ILE  88  -7.936   1.479  -0.593
  726   3HD1  ILE  88          3HD1      ILE  88  -8.752   0.021  -1.154
  727    H    THR  89           H        THR  89  -9.642   2.091   3.315
  728    HA   THR  89           HA       THR  89 -12.596   1.640   3.239
  729    HB   THR  89           HB       THR  89 -10.842   3.695   4.475
  730    HG1  THR  89           1HG      THR  89 -13.265   3.433   5.523
  731   1HG2  THR  89          1HG2      THR  89 -12.859   5.269   4.539
  732   2HG2  THR  89          2HG2      THR  89 -13.509   4.327   3.198
  733   3HG2  THR  89          3HG2      THR  89 -11.984   5.195   3.009
  734    H    CYS  90           H        CYS  90 -13.684   2.154   1.454
  735    HA   CYS  90           HA       CYS  90 -12.317   3.787  -0.651
  736   1HB   CYS  90          2HB       CYS  90 -13.104   1.231  -0.937
  737   2HB   CYS  90          1HB       CYS  90 -14.634   2.019  -1.316
  738    H    VAL  91           H        VAL  91 -14.084   4.867  -2.126
  739    HA   VAL  91           HA       VAL  91 -16.269   5.943  -0.383
  740    HB   VAL  91           HB       VAL  91 -14.303   7.508  -0.836
  741   1HG1  VAL  91          1HG1      VAL  91 -13.756   8.175  -2.953
  742   2HG1  VAL  91          2HG1      VAL  91 -15.419   8.098  -3.528
  743   3HG1  VAL  91          3HG1      VAL  91 -14.462   6.622  -3.398
  744   1HG2  VAL  91          1HG2      VAL  91 -17.196   8.021  -1.217
  745   2HG2  VAL  91          2HG2      VAL  91 -16.138   9.283  -1.851
  746   3HG2  VAL  91          3HG2      VAL  91 -16.039   8.820  -0.154
  747    H    ASN  92           H        ASN  92 -16.989   7.573  -2.915
  748    HA   ASN  92           HA       ASN  92 -19.075   5.976  -3.867
  749   1HB   ASN  92          2HB       ASN  92 -18.615   8.468  -4.320
  750   2HB   ASN  92          1HB       ASN  92 -17.603   7.906  -5.651
  751   1HD2  ASN  92          1HD2      ASN  92 -20.770   6.669  -4.441
  752   2HD2  ASN  92          2HD2      ASN  92 -21.567   6.829  -5.931
  753    H    GLN  93           H        GLN  93 -15.811   6.254  -5.045
  754    HA   GLN  93           HA       GLN  93 -15.610   3.573  -5.937
  755   1HB   GLN  93          2HB       GLN  93 -15.578   4.055  -8.446
  756   2HB   GLN  93          1HB       GLN  93 -17.171   4.040  -7.692
  757   1HG   GLN  93          2HG       GLN  93 -17.034   6.531  -7.466
  758   2HG   GLN  93          1HG       GLN  93 -15.513   6.488  -8.357
  759   1HE2  GLN  93          1HE2      GLN  93 -16.914   4.052  -9.861
  760   2HE2  GLN  93          2HE2      GLN  93 -17.824   4.850 -11.052
  761    H    LEU  94           H        LEU  94 -13.899   5.117  -4.522
  762    HA   LEU  94           HA       LEU  94 -11.514   5.196  -6.255
  763   1HB   LEU  94          2HB       LEU  94 -12.722   7.652  -4.980
  764   2HB   LEU  94          1HB       LEU  94 -10.987   7.546  -5.259
  765    HG   LEU  94           HG       LEU  94 -12.019   6.746  -7.707
  766   1HD1  LEU  94          1HD1      LEU  94 -13.837   8.115  -8.312
  767   2HD1  LEU  94          2HD1      LEU  94 -13.625   9.173  -6.917
  768   3HD1  LEU  94          3HD1      LEU  94 -14.281   7.553  -6.701
  769   1HD2  LEU  94          1HD2      LEU  94 -11.443   9.145  -8.380
  770   2HD2  LEU  94          2HD2      LEU  94 -10.170   8.250  -7.550
  771   3HD2  LEU  94          3HD2      LEU  94 -11.125   9.444  -6.672
  772    HA   PRO  95           HA       PRO  95 -10.546   3.499  -2.081
  773   1HB   PRO  95          2HB       PRO  95  -8.001   2.859  -3.487
  774   2HB   PRO  95          1HB       PRO  95  -9.069   1.795  -2.556
  775   1HG   PRO  95          2HG       PRO  95  -8.921   1.679  -5.227
  776   2HG   PRO  95          1HG       PRO  95 -10.423   1.356  -4.345
  777   1HD   PRO  95          2HD       PRO  95  -9.652   3.773  -5.927
  778   2HD   PRO  95          1HD       PRO  95 -11.254   3.043  -5.684
  779    H    ILE  96           H        ILE  96  -9.664   4.864  -0.486
  780    HA   ILE  96           HA       ILE  96  -7.281   6.478  -1.255
  781    HB   ILE  96           HB       ILE  96  -8.310   8.493  -0.202
  782   1HG1  ILE  96          2HG1      ILE  96 -10.984   8.217  -0.275
  783   2HG1  ILE  96          1HG1      ILE  96 -10.576   6.549   0.111
  784   1HG2  ILE  96          1HG2      ILE  96  -8.504   7.662  -2.753
  785   2HG2  ILE  96          2HG2      ILE  96  -9.236   9.163  -2.198
  786   3HG2  ILE  96          3HG2      ILE  96 -10.218   7.711  -2.357
  787   1HD1  ILE  96          1HD1      ILE  96 -10.973   8.140   2.090
  788   2HD1  ILE  96          2HD1      ILE  96  -9.423   8.866   1.674
  789   3HD1  ILE  96          3HD1      ILE  96  -9.507   7.168   2.139
  790    H    HIS  97           H        HIS  97  -8.782   4.537   1.171
  791    HA   HIS  97           HA       HIS  97  -6.770   5.648   3.102
  792   1HB   HIS  97          2HB       HIS  97  -9.669   5.242   3.411
  793   2HB   HIS  97          1HB       HIS  97  -8.716   4.558   4.727
  794    HD1  HIS  97           1HD      HIS  97  -6.456   6.602   4.944
  795    HD2  HIS  97           2HD      HIS  97 -10.456   7.688   4.464
  796    HE1  HIS  97           1HE      HIS  97  -6.666   8.975   5.812
  797    HE2  HIS  97           2HE      HIS  97  -9.095   9.644   5.525
  798    H    PHE  98           H        PHE  98  -5.300   4.205   3.690
  799    HA   PHE  98           HA       PHE  98  -5.827   1.312   3.252
  800   1HB   PHE  98          2HB       PHE  98  -3.747   1.993   2.293
  801   2HB   PHE  98          1HB       PHE  98  -3.316   2.940   3.715
  802    HD1  PHE  98           1HD      PHE  98  -4.047  -0.565   2.622
  803    HD2  PHE  98           2HD      PHE  98  -2.019   1.980   5.425
  804    HE1  PHE  98           1HE      PHE  98  -2.904  -2.541   3.590
  805    HE2  PHE  98           2HE      PHE  98  -0.877   0.004   6.393
  806    HZ   PHE  98           HZ       PHE  98  -1.318  -2.257   5.475
  807    H    ALA  99           H        ALA  99  -6.809   0.431   5.023
  808    HA   ALA  99           HA       ALA  99  -6.599   1.471   7.681
  809   1HB   ALA  99          1HB       ALA  99  -8.030  -0.248   8.273
  810   2HB   ALA  99          2HB       ALA  99  -7.213  -1.417   7.240
  811   3HB   ALA  99          3HB       ALA  99  -8.304  -0.226   6.531
  812    H    GLY 100           H        GLY 100  -5.436  -1.757   6.638
  813   1HA   GLY 100          2HA       GLY 100  -2.750  -1.339   7.582
  814   2HA   GLY 100          1HA       GLY 100  -3.702  -2.181   8.806
  815    H    VAL 101           H        VAL 101  -3.236  -4.329   8.687
  816    HA   VAL 101           HA       VAL 101  -3.339  -5.626   5.996
  817    HB   VAL 101           HB       VAL 101  -0.986  -5.433   6.508
  818   1HG1  VAL 101          1HG1      VAL 101  -1.677  -6.680   9.186
  819   2HG1  VAL 101          2HG1      VAL 101  -1.243  -4.990   8.929
  820   3HG1  VAL 101          3HG1      VAL 101  -0.056  -6.259   8.631
  821   1HG2  VAL 101          1HG2      VAL 101  -0.354  -7.732   6.442
  822   2HG2  VAL 101          2HG2      VAL 101  -1.961  -7.676   5.714
  823   3HG2  VAL 101          3HG2      VAL 101  -1.765  -8.223   7.380
  824    H    GLY 102           H        GLY 102  -4.269  -7.685   6.002
  825   1HA   GLY 102          2HA       GLY 102  -5.266  -9.635   6.921
  826   2HA   GLY 102          1HA       GLY 102  -4.878  -9.042   8.533
  827    H    SER 103           H        SER 103  -7.193  -9.826   8.874
  828    HA   SER 103           HA       SER 103  -9.332  -8.204   7.727
  829   1HB   SER 103          2HB       SER 103  -9.486 -10.051  10.118
  830   2HB   SER 103          1HB       SER 103 -10.815  -9.521   9.091
  831    HG   SER 103           HG       SER 103  -9.517 -11.679   8.774
  832    H    CYS 104           H        CYS 104 -10.211  -6.374   8.587
  833    HA   CYS 104           HA       CYS 104  -8.904  -5.164  10.910
  834   1HB   CYS 104          2HB       CYS 104 -10.728  -3.357  10.427
  835   2HB   CYS 104          1HB       CYS 104  -9.435  -3.583   9.251
  836    HA   PRO 105           HA       PRO 105 -11.838  -6.553  13.924
  837   1HB   PRO 105          2HB       PRO 105 -11.791  -4.463  15.700
  838   2HB   PRO 105          1HB       PRO 105 -10.473  -5.641  15.547
  839   1HG   PRO 105          2HG       PRO 105 -10.685  -2.885  14.428
  840   2HG   PRO 105          1HG       PRO 105  -9.290  -3.706  15.151
  841   1HD   PRO 105          2HD       PRO 105  -9.605  -3.448  12.449
  842   2HD   PRO 105          1HD       PRO 105  -8.761  -4.826  13.190
  Start of MODEL   10
    1    HN   PCA   1           H        PCA   1  -6.859   9.080   1.219
    2    HA   PCA   1           HA       PCA   1  -8.333  11.142   1.938
    3   1HB   PCA   1          1HB       PCA   1  -6.986  12.546   3.118
    4   2HB   PCA   1          2HB       PCA   1  -6.334  13.057   1.580
    5   1HG   PCA   1          1HG       PCA   1  -5.017  11.758   3.500
    6   2HG   PCA   1          2HG       PCA   1  -4.591  11.767   1.773
    7    H    ASP   2           H        ASP   2  -6.439   9.900  -0.490
    8    HA   ASP   2           HA       ASP   2  -8.087  11.095  -2.528
    9   1HB   ASP   2          2HB       ASP   2  -5.429  12.310  -1.927
   10   2HB   ASP   2          1HB       ASP   2  -5.813  12.065  -3.630
   11    H    TRP   3           H        TRP   3  -8.174   9.570  -4.106
   12    HA   TRP   3           HA       TRP   3  -6.740   7.159  -4.007
   13   1HB   TRP   3          2HB       TRP   3  -8.686   7.095  -5.303
   14   2HB   TRP   3          1HB       TRP   3  -8.274   8.569  -6.170
   15    HD1  TRP   3           HD       TRP   3  -7.998   7.930  -8.587
   16    HE1  TRP   3           1HE      TRP   3  -6.714   6.123  -9.897
   17    HE3  TRP   3           3HE      TRP   3  -6.203   5.121  -4.710
   18    HZ2  TRP   3           2HZ      TRP   3  -5.145   3.797  -9.378
   19    HZ3  TRP   3           3HZ      TRP   3  -4.821   3.117  -5.153
   20    HH2  TRP   3           HH       TRP   3  -4.290   2.451  -7.479
   21    H    GLU   4           H        GLU   4  -5.845  10.219  -5.454
   22    HA   GLU   4           HA       GLU   4  -3.721   9.253  -7.122
   23   1HB   GLU   4          2HB       GLU   4  -4.124  11.913  -5.721
   24   2HB   GLU   4          1HB       GLU   4  -2.824  11.603  -6.873
   25   1HG   GLU   4          2HG       GLU   4  -4.678  12.635  -8.059
   26   2HG   GLU   4          1HG       GLU   4  -4.554  10.950  -8.564
   27    H    THR   5           H        THR   5  -3.089  11.194  -4.197
   28    HA   THR   5           HA       THR   5  -0.513  10.245  -3.705
   29    HB   THR   5           HB       THR   5  -1.500  12.098  -2.453
   30    HG1  THR   5           1HG      THR   5   0.124  10.415  -1.564
   31   1HG2  THR   5          1HG2      THR   5  -3.742  10.774  -2.220
   32   2HG2  THR   5          2HG2      THR   5  -3.256  11.862  -0.921
   33   3HG2  THR   5          3HG2      THR   5  -3.002  10.125  -0.757
   34    H    PHE   6           H        PHE   6  -3.557   8.914  -2.374
   35    HA   PHE   6           HA       PHE   6  -2.458   6.802  -0.890
   36   1HB   PHE   6          2HB       PHE   6  -4.841   7.219  -0.810
   37   2HB   PHE   6          1HB       PHE   6  -5.002   6.889  -2.534
   38    HD1  PHE   6           1HD      PHE   6  -4.930   5.458   0.782
   39    HD2  PHE   6           2HD      PHE   6  -4.459   4.550  -3.387
   40    HE1  PHE   6           1HE      PHE   6  -5.282   3.053   1.264
   41    HE2  PHE   6           2HE      PHE   6  -4.808   2.144  -2.906
   42    HZ   PHE   6           HZ       PHE   6  -5.219   1.395  -0.579
   43    H    GLN   7           H        GLN   7  -2.658   7.248  -4.329
   44    HA   GLN   7           HA       GLN   7  -1.952   4.433  -4.874
   45   1HB   GLN   7          2HB       GLN   7  -3.507   5.605  -6.398
   46   2HB   GLN   7          1HB       GLN   7  -2.256   6.790  -6.762
   47   1HG   GLN   7          2HG       GLN   7  -1.691   3.861  -7.148
   48   2HG   GLN   7          1HG       GLN   7  -2.596   4.749  -8.373
   49   1HE2  GLN   7          1HE2      GLN   7  -1.348   7.216  -8.451
   50   2HE2  GLN   7          2HE2      GLN   7   0.289   7.043  -8.865
   51    H    LYS   8           H        LYS   8  -0.391   7.479  -4.352
   52    HA   LYS   8           HA       LYS   8   2.059   6.648  -5.778
   53   1HB   LYS   8          2HB       LYS   8   1.637   9.091  -4.046
   54   2HB   LYS   8          1HB       LYS   8   2.897   8.839  -5.256
   55   1HG   LYS   8          2HG       LYS   8   0.872   8.485  -6.895
   56   2HG   LYS   8          1HG       LYS   8  -0.040   9.352  -5.665
   57   1HD   LYS   8          2HD       LYS   8   1.602  11.210  -5.774
   58   2HD   LYS   8          1HD       LYS   8   2.463  10.353  -7.052
   59   1HE   LYS   8          2HE       LYS   8  -0.371  11.417  -7.151
   60   2HE   LYS   8          1HE       LYS   8   1.005  11.952  -8.117
   61   1HZ   LYS   8          1HZ       LYS   8   0.956   9.325  -8.641
   62   2HZ   LYS   8          2HZ       LYS   8   0.202  10.505  -9.604
   63   3HZ   LYS   8          3HZ       LYS   8  -0.700   9.642  -8.452
   64    H    LYS   9           H        LYS   9   1.171   7.397  -2.368
   65    HA   LYS   9           HA       LYS   9   3.795   6.363  -1.509
   66   1HB   LYS   9          2HB       LYS   9   2.832   6.948   0.810
   67   2HB   LYS   9          1HB       LYS   9   3.161   8.275  -0.301
   68   1HG   LYS   9          2HG       LYS   9   0.895   8.624  -0.772
   69   2HG   LYS   9          1HG       LYS   9   0.438   6.996  -0.271
   70   1HD   LYS   9          2HD       LYS   9   0.652   7.515   2.029
   71   2HD   LYS   9          1HD       LYS   9   1.573   8.982   1.699
   72   1HE   LYS   9          2HE       LYS   9  -1.017   9.105   2.300
   73   2HE   LYS   9          1HE       LYS   9  -0.310  10.200   1.113
   74   1HZ   LYS   9          1HZ       LYS   9  -1.200   7.632   0.097
   75   2HZ   LYS   9          2HZ       LYS   9  -1.347   9.182  -0.582
   76   3HZ   LYS   9          3HZ       LYS   9  -2.429   8.674   0.625
   77    H    HIS  10           H        HIS  10   0.358   5.420  -1.019
   78    HA   HIS  10           HA       HIS  10   1.176   3.098   0.558
   79   1HB   HIS  10          2HB       HIS  10  -1.493   3.941  -0.581
   80   2HB   HIS  10          1HB       HIS  10  -1.263   2.479   0.376
   81    HD1  HIS  10           1HD      HIS  10   0.568   3.380   2.583
   82    HD2  HIS  10           2HD      HIS  10  -2.567   5.763   1.207
   83    HE1  HIS  10           1HE      HIS  10   0.031   5.007   4.451
   84    HE2  HIS  10           2HE      HIS  10  -1.875   6.462   3.624
   85    H    LEU  11           H        LEU  11   1.062   3.685  -2.799
   86    HA   LEU  11           HA       LEU  11   1.003   0.716  -3.277
   87   1HB   LEU  11          2HB       LEU  11  -0.392   2.944  -4.654
   88   2HB   LEU  11          1HB       LEU  11   0.340   1.748  -5.715
   89    HG   LEU  11           HG       LEU  11  -0.834  -0.043  -4.407
   90   1HD1  LEU  11          1HD1      LEU  11  -1.270   0.961  -2.308
   91   2HD1  LEU  11          2HD1      LEU  11  -2.851   0.869  -3.073
   92   3HD1  LEU  11          3HD1      LEU  11  -1.973   2.399  -3.040
   93   1HD2  LEU  11          1HD2      LEU  11  -3.016   0.367  -5.428
   94   2HD2  LEU  11          2HD2      LEU  11  -1.742   0.901  -6.524
   95   3HD2  LEU  11          3HD2      LEU  11  -2.646   2.085  -5.580
   96    H    THR  12           H        THR  12   2.427  -0.058  -4.919
   97    HA   THR  12           HA       THR  12   4.457   1.891  -5.910
   98    HB   THR  12           HB       THR  12   5.536   0.937  -3.982
   99    HG1  THR  12           1HG      THR  12   6.818   1.039  -5.826
  100   1HG2  THR  12          1HG2      THR  12   5.595  -1.857  -4.700
  101   2HG2  THR  12          2HG2      THR  12   3.922  -1.324  -4.554
  102   3HG2  THR  12          3HG2      THR  12   5.034  -1.117  -3.204
  103    H    ASP  13           H        ASP  13   6.082   0.119  -7.288
  104    HA   ASP  13           HA       ASP  13   4.141  -1.173  -9.176
  105   1HB   ASP  13          2HB       ASP  13   5.268   0.907 -10.030
  106   2HB   ASP  13          1HB       ASP  13   6.811   0.065  -9.884
  107    H    THR  14           H        THR  14   5.977  -2.259  -6.854
  108    HA   THR  14           HA       THR  14   6.702  -4.676  -8.340
  109    HB   THR  14           HB       THR  14   8.653  -3.211  -8.778
  110    HG1  THR  14           1HG      THR  14   8.715  -5.574  -7.389
  111   1HG2  THR  14          1HG2      THR  14  10.043  -2.433  -6.956
  112   2HG2  THR  14          2HG2      THR  14   9.036  -3.270  -5.776
  113   3HG2  THR  14          3HG2      THR  14   8.393  -1.886  -6.660
  114    H    LYS  15           H        LYS  15   7.283  -6.433  -6.915
  115    HA   LYS  15           HA       LYS  15   6.034  -6.231  -4.290
  116   1HB   LYS  15          2HB       LYS  15   6.962  -8.630  -4.094
  117   2HB   LYS  15          1HB       LYS  15   5.773  -8.337  -5.363
  118   1HG   LYS  15          2HG       LYS  15   7.426  -8.287  -7.061
  119   2HG   LYS  15          1HG       LYS  15   8.736  -8.096  -5.894
  120   1HD   LYS  15          2HD       LYS  15   8.716 -10.398  -6.704
  121   2HD   LYS  15          1HD       LYS  15   8.227 -10.375  -5.010
  122   1HE   LYS  15          2HE       LYS  15   5.928 -10.665  -5.561
  123   2HE   LYS  15          1HE       LYS  15   6.213 -10.291  -7.262
  124   1HZ   LYS  15          1HZ       LYS  15   6.030 -12.758  -6.377
  125   2HZ   LYS  15          2HZ       LYS  15   7.693 -12.530  -6.117
  126   3HZ   LYS  15          3HZ       LYS  15   7.040 -12.341  -7.675
  127    H    LYS  16           H        LYS  16   9.179  -5.763  -5.566
  128    HA   LYS  16           HA       LYS  16  10.327  -5.765  -2.798
  129   1HB   LYS  16          2HB       LYS  16  12.545  -6.127  -3.951
  130   2HB   LYS  16          1HB       LYS  16  11.430  -7.486  -4.089
  131   1HG   LYS  16          2HG       LYS  16  10.687  -6.389  -6.320
  132   2HG   LYS  16          1HG       LYS  16  12.172  -5.449  -6.189
  133   1HD   LYS  16          2HD       LYS  16  13.370  -7.696  -5.847
  134   2HD   LYS  16          1HD       LYS  16  11.878  -8.444  -6.417
  135   1HE   LYS  16          2HE       LYS  16  12.018  -7.033  -8.481
  136   2HE   LYS  16          1HE       LYS  16  13.581  -6.439  -7.923
  137   1HZ   LYS  16          1HZ       LYS  16  12.838  -9.111  -8.874
  138   2HZ   LYS  16          2HZ       LYS  16  14.075  -8.978  -7.718
  139   3HZ   LYS  16          3HZ       LYS  16  14.221  -8.190  -9.216
  140    H    VAL  17           H        VAL  17   9.188  -3.515  -3.099
  141    HA   VAL  17           HA       VAL  17  10.146  -1.500  -4.794
  142    HB   VAL  17           HB       VAL  17   9.508   0.097  -3.015
  143   1HG1  VAL  17          1HG1      VAL  17   7.508  -2.142  -2.976
  144   2HG1  VAL  17          2HG1      VAL  17   7.849  -1.276  -4.470
  145   3HG1  VAL  17          3HG1      VAL  17   7.219  -0.408  -3.071
  146   1HG2  VAL  17          1HG2      VAL  17   8.582  -0.963  -0.881
  147   2HG2  VAL  17          2HG2      VAL  17  10.338  -0.979  -1.042
  148   3HG2  VAL  17          3HG2      VAL  17   9.410  -2.443  -1.369
  149    H    LYS  18           H        LYS  18  11.531   0.379  -4.080
  150    HA   LYS  18           HA       LYS  18  14.064  -0.708  -2.983
  151   1HB   LYS  18          2HB       LYS  18  14.917   1.611  -3.804
  152   2HB   LYS  18          1HB       LYS  18  14.498   0.409  -5.025
  153   1HG   LYS  18          2HG       LYS  18  12.331   1.427  -5.378
  154   2HG   LYS  18          1HG       LYS  18  12.576   2.524  -4.020
  155   1HD   LYS  18          2HD       LYS  18  13.053   3.789  -6.001
  156   2HD   LYS  18          1HD       LYS  18  14.609   3.421  -5.258
  157   1HE   LYS  18          2HE       LYS  18  15.086   1.717  -6.840
  158   2HE   LYS  18          1HE       LYS  18  13.412   1.646  -7.390
  159   1HZ   LYS  18          1HZ       LYS  18  13.887   3.162  -8.909
  160   2HZ   LYS  18          2HZ       LYS  18  15.496   3.238  -8.369
  161   3HZ   LYS  18          3HZ       LYS  18  14.322   4.269  -7.700
  162    H    CYS  19           H        CYS  19  12.667  -0.653  -0.915
  163    HA   CYS  19           HA       CYS  19  11.671   1.355   0.536
  164   1HB   CYS  19          2HB       CYS  19  13.787  -0.605   1.433
  165   2HB   CYS  19          1HB       CYS  19  12.922   0.445   2.554
  166    H    ASP  20           H        ASP  20  15.197   0.996   0.071
  167    HA   ASP  20           HA       ASP  20  16.185   3.044   1.646
  168   1HB   ASP  20          2HB       ASP  20  17.689   1.682   0.330
  169   2HB   ASP  20          1HB       ASP  20  17.002   2.293  -1.175
  170    H    VAL  21           H        VAL  21  14.631   3.379  -1.520
  171    HA   VAL  21           HA       VAL  21  14.721   6.346  -1.216
  172    HB   VAL  21           HB       VAL  21  13.733   4.874  -3.648
  173   1HG1  VAL  21          1HG1      VAL  21  13.401   7.274  -3.637
  174   2HG1  VAL  21          2HG1      VAL  21  14.713   6.909  -4.755
  175   3HG1  VAL  21          3HG1      VAL  21  15.073   7.547  -3.151
  176   1HG2  VAL  21          1HG2      VAL  21  16.599   5.376  -2.815
  177   2HG2  VAL  21          2HG2      VAL  21  16.127   5.059  -4.485
  178   3HG2  VAL  21          3HG2      VAL  21  15.859   3.833  -3.246
  179    H    GLU  22           H        GLU  22  12.534   3.587  -1.559
  180    HA   GLU  22           HA       GLU  22  10.089   4.945  -1.907
  181   1HB   GLU  22          2HB       GLU  22  10.847   2.319  -1.409
  182   2HB   GLU  22          1HB       GLU  22   9.912   2.737   0.026
  183   1HG   GLU  22          2HG       GLU  22   8.374   1.858  -1.615
  184   2HG   GLU  22          1HG       GLU  22   8.101   3.598  -1.510
  185    H    MET  23           H        MET  23  12.299   5.283   0.580
  186    HA   MET  23           HA       MET  23  10.251   6.611   2.297
  187   1HB   MET  23          2HB       MET  23  12.322   4.574   3.087
  188   2HB   MET  23          1HB       MET  23  11.796   5.791   4.249
  189   1HG   MET  23          2HG       MET  23   9.392   5.067   3.645
  190   2HG   MET  23          1HG       MET  23  10.144   3.655   2.901
  191   1HE   MET  23          1HE       MET  23  11.885   1.788   5.617
  192   2HE   MET  23          2HE       MET  23  12.729   3.161   4.911
  193   3HE   MET  23          3HE       MET  23  11.688   2.165   3.900
  194    H    ALA  24           H        ALA  24  13.765   6.241   1.671
  195    HA   ALA  24           HA       ALA  24  14.403   8.741   2.992
  196   1HB   ALA  24          1HB       ALA  24  15.967   6.718   2.428
  197   2HB   ALA  24          2HB       ALA  24  16.621   8.352   2.346
  198   3HB   ALA  24          3HB       ALA  24  16.149   7.518   0.866
  199    H    LYS  25           H        LYS  25  12.659   8.213   0.276
  200    HA   LYS  25           HA       LYS  25  13.765   9.999  -1.645
  201   1HB   LYS  25          2HB       LYS  25  11.372  10.193  -2.462
  202   2HB   LYS  25          1HB       LYS  25  11.986   8.550  -2.333
  203   1HG   LYS  25          2HG       LYS  25  10.964   8.644   0.089
  204   2HG   LYS  25          1HG       LYS  25  10.005   9.965  -0.572
  205   1HD   LYS  25          2HD       LYS  25  10.126   7.110  -1.560
  206   2HD   LYS  25          1HD       LYS  25   8.738   7.940  -0.873
  207   1HE   LYS  25          2HE       LYS  25   8.253   8.139  -3.135
  208   2HE   LYS  25          1HE       LYS  25   9.172   9.624  -2.885
  209   1HZ   LYS  25          1HZ       LYS  25   9.745   7.657  -4.685
  210   2HZ   LYS  25          2HZ       LYS  25  10.857   7.380  -3.430
  211   3HZ   LYS  25          3HZ       LYS  25  10.794   8.896  -4.194
  212    H    ALA  26           H        ALA  26  10.935  11.513  -1.478
  213    HA   ALA  26           HA       ALA  26  11.955  13.630   0.384
  214   1HB   ALA  26          1HB       ALA  26  10.963  15.289  -1.112
  215   2HB   ALA  26          2HB       ALA  26  10.350  14.008  -2.158
  216   3HB   ALA  26          3HB       ALA  26  12.088  14.270  -2.010
  217    H    LEU  27           H        LEU  27   9.108  11.855  -0.742
  218    HA   LEU  27           HA       LEU  27   7.280  13.492   0.839
  219   1HB   LEU  27          2HB       LEU  27   5.549  12.086   0.044
  220   2HB   LEU  27          1HB       LEU  27   6.692  12.207  -1.287
  221    HG   LEU  27           HG       LEU  27   7.724  10.032  -0.062
  222   1HD1  LEU  27          1HD1      LEU  27   5.558   8.618   0.436
  223   2HD1  LEU  27          2HD1      LEU  27   4.836  10.187   0.781
  224   3HD1  LEU  27          3HD1      LEU  27   6.233   9.637   1.701
  225   1HD2  LEU  27          1HD2      LEU  27   6.492   8.683  -1.712
  226   2HD2  LEU  27          2HD2      LEU  27   6.998  10.212  -2.428
  227   3HD2  LEU  27          3HD2      LEU  27   5.325   9.987  -1.922
  228    H    PHE  28           H        PHE  28   9.521  11.201   1.752
  229    HA   PHE  28           HA       PHE  28   7.884  10.487   4.161
  230   1HB   PHE  28          2HB       PHE  28   9.641   8.834   2.411
  231   2HB   PHE  28          1HB       PHE  28   9.727   8.510   4.138
  232    HD1  PHE  28           1HD      PHE  28   8.190   7.421   1.269
  233    HD2  PHE  28           2HD      PHE  28   7.164   8.668   5.250
  234    HE1  PHE  28           1HE      PHE  28   6.077   6.135   1.127
  235    HE2  PHE  28           2HE      PHE  28   5.050   7.384   5.105
  236    HZ   PHE  28           HZ       PHE  28   4.505   6.117   3.045
  237    H    ASP  29           H        ASP  29  11.269  10.787   3.036
  238    HA   ASP  29           HA       ASP  29  12.982  12.096   4.021
  239   1HB   ASP  29          2HB       ASP  29  10.943  13.289   5.220
  240   2HB   ASP  29          1HB       ASP  29  11.491  12.354   6.613
  241    H    CYS  30           H        CYS  30  12.890   9.286   4.040
  242    HA   CYS  30           HA       CYS  30  13.886   7.438   5.091
  243   1HB   CYS  30          2HB       CYS  30  15.872   8.794   4.949
  244   2HB   CYS  30          1HB       CYS  30  15.391   9.743   6.354
  245    H    LYS  31           H        LYS  31  11.645   7.240   6.202
  246    HA   LYS  31           HA       LYS  31  11.519   8.016   9.017
  247   1HB   LYS  31          2HB       LYS  31   9.782   5.999   7.573
  248   2HB   LYS  31          1HB       LYS  31   9.389   6.875   9.046
  249   1HG   LYS  31          2HG       LYS  31   9.818   8.109   6.313
  250   2HG   LYS  31          1HG       LYS  31   8.260   7.870   7.094
  251   1HD   LYS  31          2HD       LYS  31  10.503   9.690   8.014
  252   2HD   LYS  31          1HD       LYS  31   8.914  10.169   7.428
  253   1HE   LYS  31          2HE       LYS  31   8.023   8.698   9.408
  254   2HE   LYS  31          1HE       LYS  31   9.648   8.918  10.060
  255   1HZ   LYS  31          1HZ       LYS  31   7.723  10.630  10.525
  256   2HZ   LYS  31          2HZ       LYS  31   8.258  11.281   9.050
  257   3HZ   LYS  31          3HZ       LYS  31   9.335  11.128  10.356
  258    H    LYS  32           H        LYS  32  10.228   5.107   9.275
  259    HA   LYS  32           HA       LYS  32  12.750   3.589   9.726
  260   1HB   LYS  32          2HB       LYS  32  12.147   3.062  12.011
  261   2HB   LYS  32          1HB       LYS  32  12.140   4.814  11.837
  262   1HG   LYS  32          2HG       LYS  32   9.662   4.699  11.435
  263   2HG   LYS  32          1HG       LYS  32   9.727   2.978  11.812
  264   1HD   LYS  32          2HD       LYS  32  10.662   5.172  13.684
  265   2HD   LYS  32          1HD       LYS  32   9.087   4.385  13.781
  266   1HE   LYS  32          2HE       LYS  32  10.477   2.167  13.840
  267   2HE   LYS  32          1HE       LYS  32  11.812   3.220  14.305
  268   1HZ   LYS  32          1HZ       LYS  32   9.461   3.858  15.759
  269   2HZ   LYS  32          2HZ       LYS  32  10.993   3.404  16.339
  270   3HZ   LYS  32          3HZ       LYS  32   9.844   2.217  15.947
  271    H    THR  33           H        THR  33   9.225   3.635   9.490
  272    HA   THR  33           HA       THR  33   9.332   0.809   8.544
  273    HB   THR  33           HB       THR  33   8.622   0.824  10.944
  274    HG1  THR  33           1HG      THR  33   7.708  -0.559   9.154
  275   1HG2  THR  33          1HG2      THR  33   6.639   1.935  11.643
  276   2HG2  THR  33          2HG2      THR  33   6.158   2.281   9.982
  277   3HG2  THR  33          3HG2      THR  33   7.528   3.130  10.698
  278    H    ASN  34           H        ASN  34   8.008   0.465   6.778
  279    HA   ASN  34           HA       ASN  34   5.853   2.405   6.180
  280   1HB   ASN  34          2HB       ASN  34   8.386   2.100   4.607
  281   2HB   ASN  34          1HB       ASN  34   6.887   2.433   3.743
  282   1HD2  ASN  34          1HD2      ASN  34   6.663   4.638   3.389
  283   2HD2  ASN  34          2HD2      ASN  34   7.115   5.857   4.481
  284    H    THR  35           H        THR  35   4.362   1.613   4.607
  285    HA   THR  35           HA       THR  35   4.749  -1.209   3.719
  286    HB   THR  35           HB       THR  35   2.222  -0.135   5.013
  287    HG1  THR  35           1HG      THR  35   3.623  -0.496   6.635
  288   1HG2  THR  35          1HG2      THR  35   1.538  -2.531   4.914
  289   2HG2  THR  35          2HG2      THR  35   3.002  -2.880   3.995
  290   3HG2  THR  35          3HG2      THR  35   1.766  -1.822   3.315
  291    H    PHE  36           H        PHE  36   3.467  -1.739   1.829
  292    HA   PHE  36           HA       PHE  36   1.925   0.444   0.563
  293   1HB   PHE  36          2HB       PHE  36   3.950  -0.738  -1.266
  294   2HB   PHE  36          1HB       PHE  36   3.314   0.898  -1.212
  295    HD1  PHE  36           1HD      PHE  36   5.408  -1.411   0.874
  296    HD2  PHE  36           2HD      PHE  36   4.746   2.594  -0.502
  297    HE1  PHE  36           1HE      PHE  36   7.469  -0.678   2.036
  298    HE2  PHE  36           2HE      PHE  36   6.804   3.336   0.663
  299    HZ   PHE  36           HZ       PHE  36   8.167   1.698   1.928
  300    H    ILE  37           H        ILE  37   1.171  -0.506  -1.750
  301    HA   ILE  37           HA       ILE  37   0.564  -3.411  -1.337
  302    HB   ILE  37           HB       ILE  37  -1.236  -1.309  -2.559
  303   1HG1  ILE  37          2HG1      ILE  37  -1.908  -2.720  -0.005
  304   2HG1  ILE  37          1HG1      ILE  37  -0.698  -1.446   0.085
  305   1HG2  ILE  37          1HG2      ILE  37  -2.939  -3.148  -2.339
  306   2HG2  ILE  37          2HG2      ILE  37  -1.626  -4.238  -1.893
  307   3HG2  ILE  37          3HG2      ILE  37  -1.654  -3.501  -3.495
  308   1HD1  ILE  37          1HD1      ILE  37  -2.205   0.212  -0.374
  309   2HD1  ILE  37          2HD1      ILE  37  -3.338  -0.957   0.294
  310   3HD1  ILE  37          3HD1      ILE  37  -3.164  -0.802  -1.452
  311    H    TYR  38           H        TYR  38   1.000  -4.740  -3.047
  312    HA   TYR  38           HA       TYR  38   2.093  -3.446  -5.497
  313   1HB   TYR  38          2HB       TYR  38   3.435  -5.239  -4.496
  314   2HB   TYR  38          1HB       TYR  38   2.069  -6.346  -4.610
  315    HD1  TYR  38           1HD      TYR  38   3.888  -3.948  -6.862
  316    HD2  TYR  38           2HD      TYR  38   2.108  -7.831  -6.400
  317    HE1  TYR  38           1HE      TYR  38   4.537  -4.523  -9.185
  318    HE2  TYR  38           2HE      TYR  38   2.759  -8.404  -8.722
  319    HH   TYR  38           HH       TYR  38   3.810  -6.084 -10.963
  320    H    ALA  39           H        ALA  39   0.330  -2.833  -6.747
  321    HA   ALA  39           HA       ALA  39  -1.208  -5.003  -7.987
  322   1HB   ALA  39          1HB       ALA  39  -3.411  -3.944  -7.438
  323   2HB   ALA  39          2HB       ALA  39  -2.572  -2.862  -6.326
  324   3HB   ALA  39          3HB       ALA  39  -2.590  -4.599  -6.022
  325    H    LEU  40           H        LEU  40  -2.322  -4.254  -9.921
  326    HA   LEU  40           HA       LEU  40  -1.071  -1.818 -11.017
  327   1HB   LEU  40          2HB       LEU  40  -1.312  -2.780 -13.076
  328   2HB   LEU  40          1HB       LEU  40  -1.458  -4.248 -12.119
  329    HG   LEU  40           HG       LEU  40  -4.044  -3.539 -12.099
  330   1HD1  LEU  40          1HD1      LEU  40  -4.723  -2.399 -14.074
  331   2HD1  LEU  40          2HD1      LEU  40  -3.126  -2.545 -14.801
  332   3HD1  LEU  40          3HD1      LEU  40  -3.382  -1.446 -13.451
  333   1HD2  LEU  40          1HD2      LEU  40  -4.339  -4.998 -14.085
  334   2HD2  LEU  40          2HD2      LEU  40  -3.154  -5.662 -12.959
  335   3HD2  LEU  40          3HD2      LEU  40  -2.615  -4.854 -14.431
  336    HA   PRO  41           HA       PRO  41  -4.281   1.109 -10.350
  337   1HB   PRO  41          2HB       PRO  41  -4.415   1.392 -13.320
  338   2HB   PRO  41          1HB       PRO  41  -4.222   2.638 -12.075
  339   1HG   PRO  41          2HG       PRO  41  -2.188   1.646 -13.623
  340   2HG   PRO  41          1HG       PRO  41  -1.974   2.434 -12.055
  341   1HD   PRO  41          2HD       PRO  41  -1.509  -0.349 -12.740
  342   2HD   PRO  41          1HD       PRO  41  -1.187   0.477 -11.202
  343    H    GLY  42           H        GLY  42  -4.971  -0.717 -13.357
  344   1HA   GLY  42          2HA       GLY  42  -7.767  -0.535 -13.285
  345   2HA   GLY  42          1HA       GLY  42  -6.908  -1.900 -13.994
  346    H    ARG  43           H        ARG  43  -5.805  -3.189 -11.895
  347    HA   ARG  43           HA       ARG  43  -7.992  -4.568 -10.707
  348   1HB   ARG  43          2HB       ARG  43  -5.761  -5.578 -11.008
  349   2HB   ARG  43          1HB       ARG  43  -5.102  -4.472  -9.802
  350   1HG   ARG  43          2HG       ARG  43  -6.473  -5.423  -8.066
  351   2HG   ARG  43          1HG       ARG  43  -7.387  -6.377  -9.235
  352   1HD   ARG  43          2HD       ARG  43  -5.227  -7.540  -9.841
  353   2HD   ARG  43          1HD       ARG  43  -4.473  -6.711  -8.479
  354    HE   ARG  43           HE       ARG  43  -6.666  -7.919  -7.331
  355   1HH1  ARG  43          1HH2      ARG  43  -4.090  -8.936  -9.385
  356   2HH1  ARG  43          2HH2      ARG  43  -4.061 -10.554  -8.768
  357   1HH2  ARG  43          1HH1      ARG  43  -6.643 -10.026  -6.515
  358   2HH2  ARG  43          2HH1      ARG  43  -5.507 -11.172  -7.143
  359    H    VAL  44           H        VAL  44  -6.129  -1.787  -9.625
  360    HA   VAL  44           HA       VAL  44  -7.074  -1.935  -6.875
  361    HB   VAL  44           HB       VAL  44  -5.852   0.378  -8.411
  362   1HG1  VAL  44          1HG1      VAL  44  -6.596  -0.057  -5.526
  363   2HG1  VAL  44          2HG1      VAL  44  -6.835   1.372  -6.532
  364   3HG1  VAL  44          3HG1      VAL  44  -5.226   0.975  -5.933
  365   1HG2  VAL  44          1HG2      VAL  44  -4.512  -1.454  -6.410
  366   2HG2  VAL  44          2HG2      VAL  44  -3.751  -0.335  -7.542
  367   3HG2  VAL  44          3HG2      VAL  44  -4.516  -1.807  -8.138
  368    H    LYS  45           H        LYS  45  -7.788   0.367  -9.536
  369    HA   LYS  45           HA       LYS  45 -10.023   1.550  -8.160
  370   1HB   LYS  45          2HB       LYS  45 -10.553   2.591 -10.294
  371   2HB   LYS  45          1HB       LYS  45  -8.801   2.613 -10.080
  372   1HG   LYS  45          2HG       LYS  45  -8.804   0.381 -11.382
  373   2HG   LYS  45          1HG       LYS  45 -10.447   0.809 -11.855
  374   1HD   LYS  45          2HD       LYS  45  -8.001   2.548 -12.295
  375   2HD   LYS  45          1HD       LYS  45  -8.779   1.562 -13.533
  376   1HE   LYS  45          2HE       LYS  45  -9.935   3.947 -12.074
  377   2HE   LYS  45          1HE       LYS  45  -9.656   3.771 -13.805
  378   1HZ   LYS  45          1HZ       LYS  45 -11.691   2.434 -12.130
  379   2HZ   LYS  45          2HZ       LYS  45 -11.252   1.823 -13.653
  380   3HZ   LYS  45          3HZ       LYS  45 -11.922   3.378 -13.519
  381    H    ALA  46           H        ALA  46  -9.608  -1.377  -9.914
  382    HA   ALA  46           HA       ALA  46 -12.403  -1.754 -10.638
  383   1HB   ALA  46          1HB       ALA  46 -10.026  -3.628 -10.498
  384   2HB   ALA  46          2HB       ALA  46 -10.732  -2.907 -11.945
  385   3HB   ALA  46          3HB       ALA  46 -11.622  -4.135 -11.046
  386    H    LEU  47           H        LEU  47 -10.309  -2.698  -7.947
  387    HA   LEU  47           HA       LEU  47 -12.221  -4.483  -6.726
  388   1HB   LEU  47          2HB       LEU  47  -9.570  -3.910  -6.305
  389   2HB   LEU  47          1HB       LEU  47 -10.314  -3.094  -4.933
  390    HG   LEU  47           HG       LEU  47 -10.793  -5.992  -5.695
  391   1HD1  LEU  47          1HD1      LEU  47  -9.503  -6.420  -3.571
  392   2HD1  LEU  47          2HD1      LEU  47  -9.079  -4.707  -3.551
  393   3HD1  LEU  47          3HD1      LEU  47  -8.532  -5.736  -4.875
  394   1HD2  LEU  47          1HD2      LEU  47 -11.756  -5.982  -3.313
  395   2HD2  LEU  47          2HD2      LEU  47 -12.720  -5.177  -4.549
  396   3HD2  LEU  47          3HD2      LEU  47 -11.744  -4.223  -3.432
  397    H    CYS  48           H        CYS  48 -12.328  -1.177  -7.178
  398    HA   CYS  48           HA       CYS  48 -13.994  -0.777  -4.717
  399   1HB   CYS  48          2HB       CYS  48 -12.171   1.044  -6.258
  400   2HB   CYS  48          1HB       CYS  48 -13.558   1.739  -5.424
  401    H    LYS  49           H        LYS  49 -14.386  -1.618  -7.780
  402    HA   LYS  49           HA       LYS  49 -16.322   0.374  -8.674
  403   1HB   LYS  49          2HB       LYS  49 -16.551  -0.973 -10.616
  404   2HB   LYS  49          1HB       LYS  49 -14.857  -1.131 -10.153
  405   1HG   LYS  49          2HG       LYS  49 -15.594  -3.212  -8.823
  406   2HG   LYS  49          1HG       LYS  49 -17.097  -3.116  -9.742
  407   1HD   LYS  49          2HD       LYS  49 -15.621  -3.039 -11.842
  408   2HD   LYS  49          1HD       LYS  49 -14.296  -3.543 -10.793
  409   1HE   LYS  49          2HE       LYS  49 -15.795  -5.468 -10.044
  410   2HE   LYS  49          1HE       LYS  49 -16.863  -5.033 -11.378
  411   1HZ   LYS  49          1HZ       LYS  49 -14.107  -5.216 -12.151
  412   2HZ   LYS  49          2HZ       LYS  49 -15.480  -5.923 -12.857
  413   3HZ   LYS  49          3HZ       LYS  49 -14.711  -6.679 -11.544
  414    H    ASN  50           H        ASN  50 -18.572   0.174  -8.651
  415    HA   ASN  50           HA       ASN  50 -20.679  -0.676  -8.059
  416   1HB   ASN  50          2HB       ASN  50 -19.415  -2.923  -8.753
  417   2HB   ASN  50          1HB       ASN  50 -19.514  -3.233  -7.020
  418   1HD2  ASN  50          1HD2      ASN  50 -22.105  -1.505  -7.023
  419   2HD2  ASN  50          2HD2      ASN  50 -23.292  -2.579  -7.588
  420    H    ILE  51           H        ILE  51 -18.090  -0.166  -6.012
  421    HA   ILE  51           HA       ILE  51 -19.407  -0.932  -3.515
  422    HB   ILE  51           HB       ILE  51 -16.984   0.818  -4.024
  423   1HG1  ILE  51          2HG1      ILE  51 -16.624  -1.471  -4.794
  424   2HG1  ILE  51          1HG1      ILE  51 -15.732  -1.219  -3.296
  425   1HG2  ILE  51          1HG2      ILE  51 -16.542   0.067  -1.565
  426   2HG2  ILE  51          2HG2      ILE  51 -18.279  -0.228  -1.519
  427   3HG2  ILE  51          3HG2      ILE  51 -17.667   1.392  -1.859
  428   1HD1  ILE  51          1HD1      ILE  51 -18.200  -2.850  -3.777
  429   2HD1  ILE  51          2HD1      ILE  51 -17.953  -2.137  -2.183
  430   3HD1  ILE  51          3HD1      ILE  51 -16.760  -3.251  -2.844
  431    H    ARG  52           H        ARG  52 -19.576   0.893  -1.796
  432    HA   ARG  52           HA       ARG  52 -21.229   3.055  -3.008
  433   1HB   ARG  52          2HB       ARG  52 -20.999   2.187  -0.110
  434   2HB   ARG  52          1HB       ARG  52 -22.173   3.326  -0.769
  435   1HG   ARG  52          2HG       ARG  52 -23.216   1.606  -2.093
  436   2HG   ARG  52          1HG       ARG  52 -21.932   0.458  -1.712
  437   1HD   ARG  52          2HD       ARG  52 -22.600   0.346   0.593
  438   2HD   ARG  52          1HD       ARG  52 -23.707   1.704   0.399
  439    HE   ARG  52           HE       ARG  52 -24.553  -0.265  -1.425
  440   1HH1  ARG  52          1HH2      ARG  52 -24.083   0.143   1.965
  441   2HH1  ARG  52          2HH2      ARG  52 -25.348  -0.954   2.408
  442   1HH2  ARG  52          1HH1      ARG  52 -26.209  -1.698  -0.869
  443   2HH2  ARG  52          2HH1      ARG  52 -26.553  -1.996   0.803
  444    H    ASP  53           H        ASP  53 -21.067   4.840  -0.799
  445    HA   ASP  53           HA       ASP  53 -18.765   6.390  -1.494
  446   1HB   ASP  53          2HB       ASP  53 -20.292   6.619   1.098
  447   2HB   ASP  53          1HB       ASP  53 -19.465   7.897   0.206
  448    H    ASN  54           H        ASN  54 -18.116   7.111   1.267
  449    HA   ASN  54           HA       ASN  54 -15.762   5.521   1.585
  450   1HB   ASN  54          2HB       ASN  54 -15.636   6.654   3.849
  451   2HB   ASN  54          1HB       ASN  54 -15.777   7.753   2.476
  452   1HD2  ASN  54          1HD2      ASN  54 -18.750   6.258   2.760
  453   2HD2  ASN  54          2HD2      ASN  54 -19.540   7.402   3.735
  454    H    THR  55           H        THR  55 -15.797   3.422   2.148
  455    HA   THR  55           HA       THR  55 -17.258   2.612   4.584
  456    HB   THR  55           HB       THR  55 -17.565   0.695   2.339
  457    HG1  THR  55           1HG      THR  55 -18.821   1.898   1.157
  458   1HG2  THR  55          1HG2      THR  55 -19.469   1.798   4.424
  459   2HG2  THR  55          2HG2      THR  55 -18.514   0.326   4.590
  460   3HG2  THR  55          3HG2      THR  55 -19.782   0.421   3.368
  461    H    ASP  56           H        ASP  56 -16.447   0.499   5.371
  462    HA   ASP  56           HA       ASP  56 -13.594   0.179   4.680
  463   1HB   ASP  56          2HB       ASP  56 -15.163  -1.346   6.768
  464   2HB   ASP  56          1HB       ASP  56 -13.417  -1.107   6.690
  465    H    VAL  57           H        VAL  57 -13.080  -1.206   3.069
  466    HA   VAL  57           HA       VAL  57 -14.862  -3.546   2.564
  467    HB   VAL  57           HB       VAL  57 -13.878  -3.654   0.365
  468   1HG1  VAL  57          1HG1      VAL  57 -14.484  -1.464  -0.514
  469   2HG1  VAL  57          2HG1      VAL  57 -14.298  -0.737   1.082
  470   3HG1  VAL  57          3HG1      VAL  57 -15.599  -1.890   0.784
  471   1HG2  VAL  57          1HG2      VAL  57 -12.093  -1.926  -0.236
  472   2HG2  VAL  57          2HG2      VAL  57 -11.563  -3.237   0.816
  473   3HG2  VAL  57          3HG2      VAL  57 -11.914  -1.650   1.496
  474    H    LEU  58           H        LEU  58 -13.632  -5.575   1.886
  475    HA   LEU  58           HA       LEU  58 -11.014  -5.865   3.280
  476   1HB   LEU  58          2HB       LEU  58 -13.308  -6.571   4.560
  477   2HB   LEU  58          1HB       LEU  58 -12.995  -8.062   3.679
  478    HG   LEU  58           HG       LEU  58 -11.959  -8.135   5.902
  479   1HD1  LEU  58          1HD1      LEU  58 -10.860  -9.099   3.769
  480   2HD1  LEU  58          2HD1      LEU  58  -9.864  -8.952   5.214
  481   3HD1  LEU  58          3HD1      LEU  58  -9.718  -7.763   3.922
  482   1HD2  LEU  58          1HD2      LEU  58 -11.462  -5.431   5.488
  483   2HD2  LEU  58          2HD2      LEU  58  -9.862  -6.157   5.342
  484   3HD2  LEU  58          3HD2      LEU  58 -10.811  -6.403   6.803
  485    H    SER  59           H        SER  59  -9.613  -7.060   2.015
  486    HA   SER  59           HA       SER  59 -10.327  -7.943  -0.569
  487   1HB   SER  59          2HB       SER  59  -8.061  -7.966  -0.561
  488   2HB   SER  59          1HB       SER  59  -7.990  -8.210   1.178
  489    HG   SER  59           HG       SER  59  -7.178  -9.995  -0.048
  490    H    ARG  60           H        ARG  60 -10.757 -10.052  -1.420
  491    HA   ARG  60           HA       ARG  60 -12.330 -11.706   0.431
  492   1HB   ARG  60          2HB       ARG  60 -11.826 -11.862  -2.551
  493   2HB   ARG  60          1HB       ARG  60 -12.843 -13.006  -1.673
  494   1HG   ARG  60          2HG       ARG  60 -14.373 -11.276  -1.019
  495   2HG   ARG  60          1HG       ARG  60 -13.280 -10.012  -1.585
  496   1HD   ARG  60          2HD       ARG  60 -15.249 -10.629  -3.129
  497   2HD   ARG  60          1HD       ARG  60 -13.646 -10.558  -3.863
  498    HE   ARG  60           HE       ARG  60 -14.374 -13.221  -2.897
  499   1HH1  ARG  60          1HH2      ARG  60 -14.492 -10.910  -5.453
  500   2HH1  ARG  60          2HH2      ARG  60 -14.688 -12.099  -6.697
  501   1HH2  ARG  60          1HH1      ARG  60 -14.630 -14.786  -4.507
  502   2HH2  ARG  60          2HH1      ARG  60 -14.767 -14.293  -6.161
  503    H    ASP  61           H        ASP  61  -9.113 -11.589  -0.135
  504    HA   ASP  61           HA       ASP  61  -8.734 -14.327   0.795
  505   1HB   ASP  61          2HB       ASP  61  -8.984 -14.774  -1.598
  506   2HB   ASP  61          1HB       ASP  61  -7.774 -13.546  -1.974
  507    H    ALA  62           H        ALA  62  -6.374 -12.629  -1.195
  508    HA   ALA  62           HA       ALA  62  -5.116 -11.406   1.154
  509   1HB   ALA  62          1HB       ALA  62  -4.200 -13.566   1.490
  510   2HB   ALA  62          2HB       ALA  62  -2.935 -12.672   0.648
  511   3HB   ALA  62          3HB       ALA  62  -3.947 -13.814  -0.237
  512    H    PHE  63           H        PHE  63  -2.907 -10.442   0.442
  513    HA   PHE  63           HA       PHE  63  -2.742  -9.807  -2.430
  514   1HB   PHE  63          2HB       PHE  63  -3.699  -7.891  -0.343
  515   2HB   PHE  63          1HB       PHE  63  -2.577  -7.265  -1.550
  516    HD1  PHE  63           1HD      PHE  63  -5.861  -8.933  -1.066
  517    HD2  PHE  63           2HD      PHE  63  -3.240  -6.947  -3.830
  518    HE1  PHE  63           1HE      PHE  63  -7.706  -8.796  -2.718
  519    HE2  PHE  63           2HE      PHE  63  -5.084  -6.810  -5.481
  520    HZ   PHE  63           HZ       PHE  63  -7.317  -7.735  -4.926
  521    H    LEU  64           H        LEU  64  -0.627  -9.441  -2.992
  522    HA   LEU  64           HA       LEU  64   1.404  -9.789  -0.912
  523   1HB   LEU  64          2HB       LEU  64   1.416 -10.732  -3.332
  524   2HB   LEU  64          1HB       LEU  64   1.943  -9.120  -3.807
  525    HG   LEU  64           HG       LEU  64   3.355 -10.653  -1.616
  526   1HD1  LEU  64          1HD1      LEU  64   5.024 -11.223  -3.468
  527   2HD1  LEU  64          2HD1      LEU  64   3.746 -10.809  -4.609
  528   3HD1  LEU  64          3HD1      LEU  64   3.517 -12.138  -3.473
  529   1HD2  LEU  64          1HD2      LEU  64   5.263  -9.184  -2.590
  530   2HD2  LEU  64          2HD2      LEU  64   4.025  -8.381  -1.629
  531   3HD2  LEU  64          3HD2      LEU  64   3.976  -8.283  -3.388
  532    H    LEU  65           H        LEU  65   1.978  -8.019   0.289
  533    HA   LEU  65           HA       LEU  65   2.275  -5.433  -1.183
  534   1HB   LEU  65          2HB       LEU  65   2.065  -4.864   1.581
  535   2HB   LEU  65          1HB       LEU  65   0.907  -4.484   0.321
  536    HG   LEU  65           HG       LEU  65   0.927  -7.222   1.546
  537   1HD1  LEU  65          1HD1      LEU  65  -0.808  -6.303   3.133
  538   2HD1  LEU  65          2HD1      LEU  65  -0.336  -4.684   2.619
  539   3HD1  LEU  65          3HD1      LEU  65   0.827  -5.720   3.443
  540   1HD2  LEU  65          1HD2      LEU  65  -1.448  -7.102   0.874
  541   2HD2  LEU  65          2HD2      LEU  65  -0.412  -6.745  -0.505
  542   3HD2  LEU  65          3HD2      LEU  65  -1.224  -5.435   0.348
  543    HA   PRO  66           HA       PRO  66   6.509  -5.808   0.232
  544   1HB   PRO  66          2HB       PRO  66   7.369  -3.338  -0.581
  545   2HB   PRO  66          1HB       PRO  66   7.144  -4.701  -1.692
  546   1HG   PRO  66          2HG       PRO  66   5.425  -2.337  -1.236
  547   2HG   PRO  66          1HG       PRO  66   5.711  -3.256  -2.718
  548   1HD   PRO  66          2HD       PRO  66   3.444  -3.486  -1.141
  549   2HD   PRO  66          1HD       PRO  66   4.012  -4.712  -2.295
  550    H    GLN  67           H        GLN  67   7.756  -4.940   2.049
  551    HA   GLN  67           HA       GLN  67   6.543  -2.649   3.487
  552   1HB   GLN  67          2HB       GLN  67   5.559  -4.929   4.262
  553   2HB   GLN  67          1HB       GLN  67   7.135  -5.181   5.012
  554   1HG   GLN  67          2HG       GLN  67   6.836  -2.900   6.110
  555   2HG   GLN  67          1HG       GLN  67   5.159  -2.959   5.565
  556   1HE2  GLN  67          1HE2      GLN  67   4.359  -3.128   7.790
  557   2HE2  GLN  67          2HE2      GLN  67   4.542  -4.561   8.681
  558    H    CYS  68           H        CYS  68   8.119  -1.354   4.292
  559    HA   CYS  68           HA       CYS  68  10.910  -2.387   4.256
  560   1HB   CYS  68          2HB       CYS  68   9.988   0.439   4.817
  561   2HB   CYS  68          1HB       CYS  68  11.594  -0.098   4.323
  562    H    ASP  69           H        ASP  69  12.096  -2.685   6.128
  563    HA   ASP  69           HA       ASP  69  10.903  -1.703   8.694
  564   1HB   ASP  69          2HB       ASP  69  10.249  -4.065   8.414
  565   2HB   ASP  69          1HB       ASP  69  11.942  -4.509   8.201
  566    H    ARG  70           H        ARG  70  12.413  -0.617   9.851
  567    HA   ARG  70           HA       ARG  70  15.185  -0.538   9.031
  568   1HB   ARG  70          2HB       ARG  70  15.504   0.992  10.848
  569   2HB   ARG  70          1HB       ARG  70  13.905   1.327  10.189
  570   1HG   ARG  70          2HG       ARG  70  13.242   1.157  12.370
  571   2HG   ARG  70          1HG       ARG  70  13.273  -0.571  12.045
  572   1HD   ARG  70          2HD       ARG  70  15.829  -0.329  12.716
  573   2HD   ARG  70          1HD       ARG  70  15.251   1.115  13.544
  574    HE   ARG  70           HE       ARG  70  14.688  -1.646  14.315
  575   1HH1  ARG  70          1HH2      ARG  70  13.692   1.655  14.367
  576   2HH1  ARG  70          2HH2      ARG  70  12.749   1.487  15.809
  577   1HH2  ARG  70          1HH1      ARG  70  13.460  -1.885  16.198
  578   2HH2  ARG  70          2HH1      ARG  70  12.617  -0.518  16.846
  579    H    ILE  71           H        ILE  71  16.993  -1.472  10.048
  580    HA   ILE  71           HA       ILE  71  16.532  -3.271  12.357
  581    HB   ILE  71           HB       ILE  71  17.853  -4.275   9.822
  582   1HG1  ILE  71          2HG1      ILE  71  15.031  -4.671  10.864
  583   2HG1  ILE  71          1HG1      ILE  71  15.502  -3.943   9.328
  584   1HG2  ILE  71          1HG2      ILE  71  16.786  -5.820  12.195
  585   2HG2  ILE  71          2HG2      ILE  71  18.453  -5.250  12.108
  586   3HG2  ILE  71          3HG2      ILE  71  17.852  -6.402  10.916
  587   1HD1  ILE  71          1HD1      ILE  71  15.763  -6.834  10.169
  588   2HD1  ILE  71          2HD1      ILE  71  16.632  -6.174   8.783
  589   3HD1  ILE  71          3HD1      ILE  71  14.869  -6.176   8.799
  590    H    LYS  72           H        LYS  72  18.795  -1.808  10.053
  591    HA   LYS  72           HA       LYS  72  20.799  -1.658  12.270
  592   1HB   LYS  72          2HB       LYS  72  21.458  -2.303   9.381
  593   2HB   LYS  72          1HB       LYS  72  22.593  -2.222  10.730
  594   1HG   LYS  72          2HG       LYS  72  21.498  -4.112  11.817
  595   2HG   LYS  72          1HG       LYS  72  20.269  -4.162  10.552
  596   1HD   LYS  72          2HD       LYS  72  22.073  -4.590   8.876
  597   2HD   LYS  72          1HD       LYS  72  23.239  -4.662  10.198
  598   1HE   LYS  72          2HE       LYS  72  20.778  -6.418  10.105
  599   2HE   LYS  72          1HE       LYS  72  22.322  -6.910   9.408
  600   1HZ   LYS  72          1HZ       LYS  72  22.460  -7.740  11.531
  601   2HZ   LYS  72          2HZ       LYS  72  21.622  -6.435  12.226
  602   3HZ   LYS  72          3HZ       LYS  72  23.231  -6.242  11.717
  603    H    LEU  73           H        LEU  73  22.514   0.015  11.756
  604    HA   LEU  73           HA       LEU  73  22.971   2.279  11.369
  605   1HB   LEU  73          2HB       LEU  73  21.529   2.010   8.740
  606   2HB   LEU  73          1HB       LEU  73  23.034   2.852   9.098
  607    HG   LEU  73           HG       LEU  73  22.635  -0.148   9.005
  608   1HD1  LEU  73          1HD1      LEU  73  22.857   0.668   6.788
  609   2HD1  LEU  73          2HD1      LEU  73  24.482   0.152   7.236
  610   3HD1  LEU  73          3HD1      LEU  73  24.062   1.864   7.262
  611   1HD2  LEU  73          1HD2      LEU  73  24.190   0.260  10.772
  612   2HD2  LEU  73          2HD2      LEU  73  24.964   1.572   9.885
  613   3HD2  LEU  73          3HD2      LEU  73  25.178  -0.098   9.357
  614    HA   PRO  74           HA       PRO  74  19.236   4.578  12.078
  615   1HB   PRO  74          2HB       PRO  74  19.920   7.109  11.384
  616   2HB   PRO  74          1HB       PRO  74  20.687   6.255  12.737
  617   1HG   PRO  74          2HG       PRO  74  21.774   6.923  10.089
  618   2HG   PRO  74          1HG       PRO  74  22.621   6.573  11.604
  619   1HD   PRO  74          2HD       PRO  74  22.148   4.785   9.383
  620   2HD   PRO  74          1HD       PRO  74  23.018   4.441  10.894
  621    H    CYS  75           H        CYS  75  20.270   4.448   8.785
  622    HA   CYS  75           HA       CYS  75  17.509   5.164   7.919
  623   1HB   CYS  75          2HB       CYS  75  19.221   7.095   7.646
  624   2HB   CYS  75          1HB       CYS  75  19.905   6.113   6.350
  625    H    HIS  76           H        HIS  76  18.141   2.595   8.134
  626    HA   HIS  76           HA       HIS  76  18.520   1.729   5.306
  627   1HB   HIS  76          2HB       HIS  76  20.651   1.416   6.678
  628   2HB   HIS  76          1HB       HIS  76  19.750   0.249   7.646
  629    HD1  HIS  76           1HD      HIS  76  20.278   0.869   3.904
  630    HD2  HIS  76           2HD      HIS  76  20.059  -2.288   6.622
  631    HE1  HIS  76           1HE      HIS  76  20.651  -1.255   2.571
  632    HE2  HIS  76           2HE      HIS  76  20.520  -3.181   4.215
  633    H    TYR  77           H        TYR  77  17.113   0.053   4.733
  634    HA   TYR  77           HA       TYR  77  15.526  -1.200   6.931
  635   1HB   TYR  77          2HB       TYR  77  14.069  -0.456   4.439
  636   2HB   TYR  77          1HB       TYR  77  13.495  -0.502   6.107
  637    HD1  TYR  77           1HD      TYR  77  13.794   1.392   7.598
  638    HD2  TYR  77           2HD      TYR  77  15.337   1.471   3.590
  639    HE1  TYR  77           1HE      TYR  77  14.182   3.833   7.795
  640    HE2  TYR  77           2HE      TYR  77  15.724   3.912   3.785
  641    HH   TYR  77           HH       TYR  77  15.856   5.525   6.591
  642    H    LYS  78           H        LYS  78  14.462  -3.189   6.289
  643    HA   LYS  78           HA       LYS  78  15.897  -4.551   4.051
  644   1HB   LYS  78          2HB       LYS  78  16.121  -5.484   6.398
  645   2HB   LYS  78          1HB       LYS  78  14.394  -5.829   6.357
  646   1HG   LYS  78          2HG       LYS  78  15.950  -6.807   4.014
  647   2HG   LYS  78          1HG       LYS  78  16.302  -7.605   5.544
  648   1HD   LYS  78          2HD       LYS  78  13.428  -7.194   4.777
  649   2HD   LYS  78          1HD       LYS  78  14.339  -8.476   3.982
  650   1HE   LYS  78          2HE       LYS  78  13.056  -9.001   6.213
  651   2HE   LYS  78          1HE       LYS  78  14.676  -9.655   5.970
  652   1HZ   LYS  78          1HZ       LYS  78  14.541  -8.664   8.129
  653   2HZ   LYS  78          2HZ       LYS  78  13.962  -7.203   7.483
  654   3HZ   LYS  78          3HZ       LYS  78  15.552  -7.706   7.163
  655    H    LEU  79           H        LEU  79  14.597  -6.013   2.719
  656    HA   LEU  79           HA       LEU  79  11.902  -4.908   2.245
  657   1HB   LEU  79          2HB       LEU  79  13.804  -5.563   0.492
  658   2HB   LEU  79          1HB       LEU  79  13.051  -7.149   0.617
  659    HG   LEU  79           HG       LEU  79  12.003  -5.960  -1.210
  660   1HD1  LEU  79          1HD1      LEU  79   9.735  -6.198  -0.586
  661   2HD1  LEU  79          2HD1      LEU  79  10.051  -5.717   1.079
  662   3HD1  LEU  79          3HD1      LEU  79  10.597  -7.289   0.496
  663   1HD2  LEU  79          1HD2      LEU  79  12.606  -3.660   0.068
  664   2HD2  LEU  79          2HD2      LEU  79  10.912  -3.797   0.538
  665   3HD2  LEU  79          3HD2      LEU  79  11.354  -3.752  -1.167
  666    H    SER  80           H        SER  80  10.115  -5.885   3.023
  667    HA   SER  80           HA       SER  80  10.119  -8.832   3.432
  668   1HB   SER  80          2HB       SER  80  10.499  -8.317   5.659
  669   2HB   SER  80          1HB       SER  80   9.774  -6.718   5.520
  670    HG   SER  80           HG       SER  80   8.633  -9.154   6.108
  671    H    SER  81           H        SER  81   8.399  -9.531   2.259
  672    HA   SER  81           HA       SER  81   5.898  -7.882   2.305
  673   1HB   SER  81          2HB       SER  81   5.662  -7.992   0.003
  674   2HB   SER  81          1HB       SER  81   7.420  -7.954   0.116
  675    HG   SER  81           HG       SER  81   7.255 -10.319   0.177
  676    H    SER  82           H        SER  82   3.940  -9.179   1.832
  677    HA   SER  82           HA       SER  82   4.116 -12.087   1.906
  678   1HB   SER  82          2HB       SER  82   3.157 -12.452   4.078
  679   2HB   SER  82          1HB       SER  82   4.524 -11.367   4.316
  680    HG   SER  82           HG       SER  82   1.978 -10.971   4.930
  681    H    THR  83           H        THR  83   1.906 -13.054   1.904
  682    HA   THR  83           HA       THR  83   0.015 -11.202   0.568
  683    HB   THR  83           HB       THR  83  -0.915 -13.733   0.135
  684    HG1  THR  83           1HG      THR  83   0.639 -14.944   0.899
  685   1HG2  THR  83          1HG2      THR  83   1.221 -12.227  -1.389
  686   2HG2  THR  83          2HG2      THR  83  -0.523 -12.066  -1.599
  687   3HG2  THR  83          3HG2      THR  83   0.285 -13.569  -2.048
  688    H    ASN  84           H        ASN  84  -1.700 -10.555   1.769
  689    HA   ASN  84           HA       ASN  84  -3.146 -12.472   3.447
  690   1HB   ASN  84          2HB       ASN  84  -1.394 -11.814   5.017
  691   2HB   ASN  84          1HB       ASN  84  -1.715 -10.109   4.702
  692   1HD2  ASN  84          1HD2      ASN  84  -2.218  -9.931   7.077
  693   2HD2  ASN  84          2HD2      ASN  84  -3.743 -10.423   7.638
  694    H    THR  85           H        THR  85  -5.232 -11.588   4.136
  695    HA   THR  85           HA       THR  85  -6.375  -9.766   2.250
  696    HB   THR  85           HB       THR  85  -7.854  -9.944   4.765
  697    HG1  THR  85           1HG      THR  85  -7.912 -12.112   4.961
  698   1HG2  THR  85          1HG2      THR  85  -8.917  -9.531   2.616
  699   2HG2  THR  85          2HG2      THR  85  -9.499 -11.062   3.262
  700   3HG2  THR  85          3HG2      THR  85  -8.290 -11.050   1.979
  701    H    ILE  86           H        ILE  86  -7.078  -7.574   2.605
  702    HA   ILE  86           HA       ILE  86  -5.878  -6.223   4.983
  703    HB   ILE  86           HB       ILE  86  -4.521  -4.908   3.715
  704   1HG1  ILE  86          2HG1      ILE  86  -6.838  -4.747   1.758
  705   2HG1  ILE  86          1HG1      ILE  86  -6.295  -3.501   2.882
  706   1HG2  ILE  86          1HG2      ILE  86  -5.300  -6.750   1.437
  707   2HG2  ILE  86          2HG2      ILE  86  -4.205  -7.212   2.740
  708   3HG2  ILE  86          3HG2      ILE  86  -3.765  -5.906   1.647
  709   1HD1  ILE  86          1HD1      ILE  86  -4.923  -4.493   0.385
  710   2HD1  ILE  86          2HD1      ILE  86  -4.052  -3.595   1.629
  711   3HD1  ILE  86          3HD1      ILE  86  -5.407  -2.845   0.786
  712    H    CYS  87           H        CYS  87  -6.975  -4.298   5.624
  713    HA   CYS  87           HA       CYS  87  -9.740  -4.051   4.508
  714   1HB   CYS  87          2HB       CYS  87  -9.306  -4.625   7.001
  715   2HB   CYS  87          1HB       CYS  87  -8.776  -2.957   7.156
  716    H    ILE  88           H        ILE  88 -10.283  -2.093   3.559
  717    HA   ILE  88           HA       ILE  88  -8.536   0.255   4.074
  718    HB   ILE  88           HB       ILE  88  -7.372  -0.175   2.168
  719   1HG1  ILE  88          2HG1      ILE  88  -9.994   0.405   0.751
  720   2HG1  ILE  88          1HG1      ILE  88  -8.942   1.645   1.432
  721   1HG2  ILE  88          1HG2      ILE  88  -9.651  -1.976   1.299
  722   2HG2  ILE  88          2HG2      ILE  88  -8.173  -2.492   2.106
  723   3HG2  ILE  88          3HG2      ILE  88  -8.100  -1.831   0.475
  724   1HD1  ILE  88          1HD1      ILE  88  -7.984   1.653  -0.625
  725   2HD1  ILE  88          2HD1      ILE  88  -8.635   0.069  -1.040
  726   3HD1  ILE  88          3HD1      ILE  88  -7.164   0.192  -0.076
  727    H    THR  89           H        THR  89  -9.518   2.281   3.288
  728    HA   THR  89           HA       THR  89 -12.495   2.061   3.247
  729    HB   THR  89           HB       THR  89 -10.573   4.207   4.102
  730    HG1  THR  89           1HG      THR  89 -12.970   3.278   5.269
  731   1HG2  THR  89          1HG2      THR  89 -12.728   5.626   4.371
  732   2HG2  THR  89          2HG2      THR  89 -13.407   4.555   3.146
  733   3HG2  THR  89          3HG2      THR  89 -11.990   5.536   2.772
  734    H    CYS  90           H        CYS  90 -13.514   2.422   1.361
  735    HA   CYS  90           HA       CYS  90 -12.084   3.959  -0.776
  736   1HB   CYS  90          2HB       CYS  90 -12.474   1.351  -0.992
  737   2HB   CYS  90          1HB       CYS  90 -14.109   1.843  -1.433
  738    H    VAL  91           H        VAL  91 -13.298   5.505  -1.852
  739    HA   VAL  91           HA       VAL  91 -15.807   6.313  -0.597
  740    HB   VAL  91           HB       VAL  91 -13.955   7.855  -1.498
  741   1HG1  VAL  91          1HG1      VAL  91 -13.692   8.188  -3.765
  742   2HG1  VAL  91          2HG1      VAL  91 -15.356   7.743  -4.137
  743   3HG1  VAL  91          3HG1      VAL  91 -14.164   6.489  -3.792
  744   1HG2  VAL  91          1HG2      VAL  91 -15.672   9.252  -0.991
  745   2HG2  VAL  91          2HG2      VAL  91 -16.879   8.122  -1.597
  746   3HG2  VAL  91          3HG2      VAL  91 -16.065   9.220  -2.710
  747    H    ASN  92           H        ASN  92 -16.960   7.352  -3.119
  748    HA   ASN  92           HA       ASN  92 -18.859   5.446  -3.722
  749   1HB   ASN  92          2HB       ASN  92 -18.607   7.887  -4.573
  750   2HB   ASN  92          1HB       ASN  92 -17.727   7.159  -5.918
  751   1HD2  ASN  92          1HD2      ASN  92 -20.145   8.449  -6.495
  752   2HD2  ASN  92          2HD2      ASN  92 -21.332   7.299  -6.883
  753    H    GLN  93           H        GLN  93 -15.661   5.708  -5.031
  754    HA   GLN  93           HA       GLN  93 -15.419   2.951  -5.657
  755   1HB   GLN  93          2HB       GLN  93 -15.395   3.252  -8.219
  756   2HB   GLN  93          1HB       GLN  93 -16.973   3.173  -7.437
  757   1HG   GLN  93          2HG       GLN  93 -17.273   5.531  -7.566
  758   2HG   GLN  93          1HG       GLN  93 -15.572   5.801  -7.946
  759   1HE2  GLN  93          1HE2      GLN  93 -18.494   4.175  -9.294
  760   2HE2  GLN  93          2HE2      GLN  93 -18.067   4.429 -10.917
  761    H    LEU  94           H        LEU  94 -13.767   4.774  -4.434
  762    HA   LEU  94           HA       LEU  94 -11.394   4.690  -6.192
  763   1HB   LEU  94          2HB       LEU  94 -12.904   7.081  -5.812
  764   2HB   LEU  94          1HB       LEU  94 -11.410   7.265  -4.897
  765    HG   LEU  94           HG       LEU  94 -10.153   6.530  -6.966
  766   1HD1  LEU  94          1HD1      LEU  94 -12.960   6.532  -8.023
  767   2HD1  LEU  94          2HD1      LEU  94 -11.630   5.427  -8.374
  768   3HD1  LEU  94          3HD1      LEU  94 -11.654   7.034  -9.096
  769   1HD2  LEU  94          1HD2      LEU  94 -10.573   8.944  -6.247
  770   2HD2  LEU  94          2HD2      LEU  94 -11.875   8.975  -7.435
  771   3HD2  LEU  94          3HD2      LEU  94 -10.211   8.711  -7.958
  772    HA   PRO  95           HA       PRO  95 -10.214   3.469  -1.956
  773   1HB   PRO  95          2HB       PRO  95  -7.652   2.649  -2.642
  774   2HB   PRO  95          1HB       PRO  95  -9.095   1.622  -2.728
  775   1HG   PRO  95          2HG       PRO  95  -7.638   3.027  -4.888
  776   2HG   PRO  95          1HG       PRO  95  -8.518   1.490  -4.926
  777   1HD   PRO  95          2HD       PRO  95  -9.499   3.840  -5.965
  778   2HD   PRO  95          1HD       PRO  95 -10.531   2.507  -5.403
  779    H    ILE  96           H        ILE  96  -9.403   4.907  -0.421
  780    HA   ILE  96           HA       ILE  96  -7.170   6.690  -1.275
  781    HB   ILE  96           HB       ILE  96  -8.336   8.606  -0.200
  782   1HG1  ILE  96          2HG1      ILE  96 -10.988   7.999  -0.137
  783   2HG1  ILE  96          1HG1      ILE  96 -10.326   6.439   0.341
  784   1HG2  ILE  96          1HG2      ILE  96  -9.452   9.136  -2.149
  785   2HG2  ILE  96          2HG2      ILE  96 -10.292   7.587  -2.218
  786   3HG2  ILE  96          3HG2      ILE  96  -8.609   7.700  -2.725
  787   1HD1  ILE  96          1HD1      ILE  96 -10.508   7.474   2.403
  788   2HD1  ILE  96          2HD1      ILE  96 -10.179   9.077   1.748
  789   3HD1  ILE  96          3HD1      ILE  96  -8.861   7.930   1.975
  790    H    HIS  97           H        HIS  97  -8.572   4.736   1.255
  791    HA   HIS  97           HA       HIS  97  -6.383   5.768   3.033
  792   1HB   HIS  97          2HB       HIS  97  -9.228   5.883   3.499
  793   2HB   HIS  97          1HB       HIS  97  -8.479   4.841   4.709
  794    HD1  HIS  97           1HD      HIS  97  -5.831   6.185   5.216
  795    HD2  HIS  97           2HD      HIS  97  -9.358   8.358   4.723
  796    HE1  HIS  97           1HE      HIS  97  -5.449   8.435   6.321
  797    HE2  HIS  97           2HE      HIS  97  -7.590   9.764   6.028
  798    H    PHE  98           H        PHE  98  -5.059   4.213   3.721
  799    HA   PHE  98           HA       PHE  98  -5.823   1.375   3.301
  800   1HB   PHE  98          2HB       PHE  98  -3.666   1.904   2.406
  801   2HB   PHE  98          1HB       PHE  98  -3.198   2.779   3.863
  802    HD1  PHE  98           1HD      PHE  98  -4.307  -0.629   2.752
  803    HD2  PHE  98           2HD      PHE  98  -1.939   1.675   5.498
  804    HE1  PHE  98           1HE      PHE  98  -3.372  -2.721   3.701
  805    HE2  PHE  98           2HE      PHE  98  -1.004  -0.417   6.447
  806    HZ   PHE  98           HZ       PHE  98  -1.721  -2.615   5.548
  807    H    ALA  99           H        ALA  99  -6.827   0.459   5.032
  808    HA   ALA  99           HA       ALA  99  -6.702   1.515   7.697
  809   1HB   ALA  99          1HB       ALA  99  -8.188  -0.177   8.247
  810   2HB   ALA  99          2HB       ALA  99  -7.375  -1.360   7.228
  811   3HB   ALA  99          3HB       ALA  99  -8.414  -0.137   6.500
  812    H    GLY 100           H        GLY 100  -5.609  -1.757   6.734
  813   1HA   GLY 100          2HA       GLY 100  -2.937  -1.403   7.754
  814   2HA   GLY 100          1HA       GLY 100  -3.951  -2.213   8.949
  815    H    VAL 101           H        VAL 101  -2.988  -4.261   8.791
  816    HA   VAL 101           HA       VAL 101  -3.244  -5.617   6.127
  817    HB   VAL 101           HB       VAL 101  -0.906  -5.441   6.763
  818   1HG1  VAL 101          1HG1      VAL 101  -1.335  -5.087   9.198
  819   2HG1  VAL 101          2HG1      VAL 101  -0.084  -6.291   8.897
  820   3HG1  VAL 101          3HG1      VAL 101  -1.709  -6.803   9.351
  821   1HG2  VAL 101          1HG2      VAL 101  -0.311  -7.748   6.654
  822   2HG2  VAL 101          2HG2      VAL 101  -1.878  -7.639   5.850
  823   3HG2  VAL 101          3HG2      VAL 101  -1.775  -8.243   7.504
  824    H    GLY 102           H        GLY 102  -4.347  -7.559   6.089
  825   1HA   GLY 102          2HA       GLY 102  -5.354  -9.527   7.009
  826   2HA   GLY 102          1HA       GLY 102  -5.047  -8.901   8.627
  827    H    SER 103           H        SER 103  -7.452  -9.771   8.605
  828    HA   SER 103           HA       SER 103  -9.510  -8.236   7.369
  829   1HB   SER 103          2HB       SER 103  -9.608  -9.764   9.985
  830   2HB   SER 103          1HB       SER 103 -11.003  -9.244   9.044
  831    HG   SER 103           HG       SER 103 -10.365 -10.605   7.397
  832    H    CYS 104           H        CYS 104 -11.005  -6.731   8.467
  833    HA   CYS 104           HA       CYS 104  -9.604  -4.586   9.773
  834   1HB   CYS 104          2HB       CYS 104 -12.235  -5.066   8.685
  835   2HB   CYS 104          1HB       CYS 104 -12.398  -4.324  10.275
  836    HA   PRO 105           HA       PRO 105  -9.917  -5.790  14.011
  837   1HB   PRO 105          2HB       PRO 105 -10.362  -3.418  15.290
  838   2HB   PRO 105          1HB       PRO 105  -8.809  -3.828  14.535
  839   1HG   PRO 105          2HG       PRO 105 -11.009  -2.098  13.515
  840   2HG   PRO 105          1HG       PRO 105  -9.255  -1.873  13.409
  841   1HD   PRO 105          2HD       PRO 105 -10.781  -2.821  11.327
  842   2HD   PRO 105          1HD       PRO 105  -9.061  -3.216  11.538
  Start of MODEL   11
    1    HN   PCA   1           H        PCA   1  -6.320   9.055   1.006
    2    HA   PCA   1           HA       PCA   1  -7.790  11.102   1.838
    3   1HB   PCA   1          1HB       PCA   1  -6.407  12.515   2.960
    4   2HB   PCA   1          2HB       PCA   1  -5.778  13.003   1.405
    5   1HG   PCA   1          1HG       PCA   1  -4.448  11.692   3.314
    6   2HG   PCA   1          2HG       PCA   1  -4.048  11.695   1.581
    7    H    ASP   2           H        ASP   2  -6.027   9.852  -0.662
    8    HA   ASP   2           HA       ASP   2  -7.734  11.044  -2.640
    9   1HB   ASP   2          2HB       ASP   2  -5.054  12.278  -2.147
   10   2HB   ASP   2          1HB       ASP   2  -5.543  12.062  -3.828
   11    H    TRP   3           H        TRP   3  -7.945   9.311  -3.957
   12    HA   TRP   3           HA       TRP   3  -6.454   6.999  -3.989
   13   1HB   TRP   3          2HB       TRP   3  -8.454   6.966  -5.221
   14   2HB   TRP   3          1HB       TRP   3  -8.002   8.377  -6.168
   15    HD1  TRP   3           HD       TRP   3  -7.818   7.574  -8.551
   16    HE1  TRP   3           1HE      TRP   3  -6.601   5.663  -9.774
   17    HE3  TRP   3           3HE      TRP   3  -5.951   4.979  -4.545
   18    HZ2  TRP   3           2HZ      TRP   3  -5.054   3.351  -9.151
   19    HZ3  TRP   3           3HZ      TRP   3  -4.613   2.936  -4.900
   20    HH2  TRP   3           HH       TRP   3  -4.162   2.115  -7.196
   21    H    GLU   4           H        GLU   4  -5.608  10.027  -5.585
   22    HA   GLU   4           HA       GLU   4  -3.529   8.977  -7.255
   23   1HB   GLU   4          2HB       GLU   4  -3.867  11.708  -5.975
   24   2HB   GLU   4          1HB       GLU   4  -2.625  11.330  -7.169
   25   1HG   GLU   4          2HG       GLU   4  -4.408  10.639  -8.763
   26   2HG   GLU   4          1HG       GLU   4  -5.624  11.118  -7.577
   27    H    THR   5           H        THR   5  -2.769  11.074  -4.474
   28    HA   THR   5           HA       THR   5  -0.198  10.048  -4.035
   29    HB   THR   5           HB       THR   5  -1.071  12.048  -2.884
   30    HG1  THR   5           1HG      THR   5   0.111   9.922  -1.563
   31   1HG2  THR   5          1HG2      THR   5  -3.317  10.798  -2.403
   32   2HG2  THR   5          2HG2      THR   5  -2.725  11.971  -1.228
   33   3HG2  THR   5          3HG2      THR   5  -2.494  10.245  -0.945
   34    H    PHE   6           H        PHE   6  -3.240   9.002  -2.467
   35    HA   PHE   6           HA       PHE   6  -2.238   6.943  -0.868
   36   1HB   PHE   6          2HB       PHE   6  -4.683   7.740  -1.193
   37   2HB   PHE   6          1HB       PHE   6  -4.738   6.584  -2.523
   38    HD1  PHE   6           1HD      PHE   6  -4.415   6.980   1.132
   39    HD2  PHE   6           2HD      PHE   6  -4.634   4.188  -2.124
   40    HE1  PHE   6           1HE      PHE   6  -4.801   5.135   2.737
   41    HE2  PHE   6           2HE      PHE   6  -5.019   2.342  -0.520
   42    HZ   PHE   6           HZ       PHE   6  -5.106   2.814   1.913
   43    H    GLN   7           H        GLN   7  -2.428   7.145  -4.334
   44    HA   GLN   7           HA       GLN   7  -1.876   4.260  -4.674
   45   1HB   GLN   7          2HB       GLN   7  -3.377   5.382  -6.283
   46   2HB   GLN   7          1HB       GLN   7  -2.082   6.488  -6.727
   47   1HG   GLN   7          2HG       GLN   7  -1.644   3.519  -6.911
   48   2HG   GLN   7          1HG       GLN   7  -2.511   4.361  -8.194
   49   1HE2  GLN   7          1HE2      GLN   7  -1.180   6.726  -8.520
   50   2HE2  GLN   7          2HE2      GLN   7   0.457   6.465  -8.886
   51    H    LYS   8           H        LYS   8  -0.197   7.254  -4.370
   52    HA   LYS   8           HA       LYS   8   2.223   6.267  -5.738
   53   1HB   LYS   8          2HB       LYS   8   1.828   8.807  -4.139
   54   2HB   LYS   8          1HB       LYS   8   3.134   8.465  -5.273
   55   1HG   LYS   8          2HG       LYS   8   0.302   8.266  -6.255
   56   2HG   LYS   8          1HG       LYS   8   1.006   9.866  -6.038
   57   1HD   LYS   8          2HD       LYS   8   2.877   9.280  -7.502
   58   2HD   LYS   8          1HD       LYS   8   2.256   7.638  -7.672
   59   1HE   LYS   8          2HE       LYS   8   1.663   9.136  -9.600
   60   2HE   LYS   8          1HE       LYS   8   0.259   8.447  -8.786
   61   1HZ   LYS   8          1HZ       LYS   8   1.362  11.108  -8.103
   62   2HZ   LYS   8          2HZ       LYS   8  -0.139  10.454  -7.652
   63   3HZ   LYS   8          3HZ       LYS   8   0.150  10.891  -9.268
   64    H    LYS   9           H        LYS   9   1.352   7.210  -2.379
   65    HA   LYS   9           HA       LYS   9   3.949   6.219  -1.429
   66   1HB   LYS   9          2HB       LYS   9   2.952   6.843   0.843
   67   2HB   LYS   9          1HB       LYS   9   3.179   8.159  -0.307
   68   1HG   LYS   9          2HG       LYS   9   0.838   8.106  -0.926
   69   2HG   LYS   9          1HG       LYS   9   0.569   6.660   0.048
   70   1HD   LYS   9          2HD       LYS   9   1.224   7.953   2.080
   71   2HD   LYS   9          1HD       LYS   9   1.360   9.400   1.079
   72   1HE   LYS   9          2HE       LYS   9  -1.073   8.875   0.350
   73   2HE   LYS   9          1HE       LYS   9  -1.114   7.816   1.762
   74   1HZ   LYS   9          1HZ       LYS   9  -0.451  10.710   1.781
   75   2HZ   LYS   9          2HZ       LYS   9  -0.471   9.693   3.142
   76   3HZ   LYS   9          3HZ       LYS   9  -1.911  10.026   2.303
   77    H    HIS  10           H        HIS  10   0.535   5.164  -1.129
   78    HA   HIS  10           HA       HIS  10   1.384   2.879   0.529
   79   1HB   HIS  10          2HB       HIS  10  -1.325   3.606  -0.602
   80   2HB   HIS  10          1HB       HIS  10  -1.016   2.275   0.507
   81    HD1  HIS  10           1HD      HIS  10  -2.857   4.127   1.761
   82    HD2  HIS  10           2HD      HIS  10   1.233   4.945   1.779
   83    HE1  HIS  10           1HE      HIS  10  -2.462   5.768   3.652
   84    HE2  HIS  10           2HE      HIS  10   0.024   6.272   3.672
   85    H    LEU  11           H        LEU  11   1.239   3.443  -2.826
   86    HA   LEU  11           HA       LEU  11   1.151   0.473  -3.277
   87   1HB   LEU  11          2HB       LEU  11  -0.342   2.665  -4.604
   88   2HB   LEU  11          1HB       LEU  11   0.364   1.479  -5.694
   89    HG   LEU  11           HG       LEU  11  -0.702  -0.320  -4.269
   90   1HD1  LEU  11          1HD1      LEU  11  -2.757   0.622  -2.979
   91   2HD1  LEU  11          2HD1      LEU  11  -1.876   2.148  -2.988
   92   3HD1  LEU  11          3HD1      LEU  11  -1.178   0.732  -2.214
   93   1HD2  LEU  11          1HD2      LEU  11  -2.668   1.648  -5.457
   94   2HD2  LEU  11          2HD2      LEU  11  -2.847  -0.101  -5.329
   95   3HD2  LEU  11          3HD2      LEU  11  -1.651   0.585  -6.428
   96    H    THR  12           H        THR  12   2.524  -0.321  -4.933
   97    HA   THR  12           HA       THR  12   4.484   1.632  -6.057
   98    HB   THR  12           HB       THR  12   5.675   0.709  -4.188
   99    HG1  THR  12           1HG      THR  12   6.912   0.752  -6.022
  100   1HG2  THR  12          1HG2      THR  12   5.742  -2.086  -4.752
  101   2HG2  THR  12          2HG2      THR  12   4.048  -1.602  -4.707
  102   3HG2  THR  12          3HG2      THR  12   5.091  -1.289  -3.322
  103    H    ASP  13           H        ASP  13   6.046  -0.116  -7.507
  104    HA   ASP  13           HA       ASP  13   4.034  -1.472  -9.270
  105   1HB   ASP  13          2HB       ASP  13   6.566   0.017 -10.016
  106   2HB   ASP  13          1HB       ASP  13   5.585  -0.910 -11.151
  107    H    THR  14           H        THR  14   6.189  -2.348  -7.055
  108    HA   THR  14           HA       THR  14   6.868  -4.812  -8.542
  109    HB   THR  14           HB       THR  14   8.765  -3.252  -8.972
  110    HG1  THR  14           1HG      THR  14  10.359  -4.712  -8.154
  111   1HG2  THR  14          1HG2      THR  14  10.148  -2.482  -7.151
  112   2HG2  THR  14          2HG2      THR  14   9.210  -3.413  -5.982
  113   3HG2  THR  14          3HG2      THR  14   8.485  -2.022  -6.787
  114    H    LYS  15           H        LYS  15   7.432  -6.563  -7.132
  115    HA   LYS  15           HA       LYS  15   6.220  -6.382  -4.495
  116   1HB   LYS  15          2HB       LYS  15   6.919  -8.749  -4.285
  117   2HB   LYS  15          1HB       LYS  15   6.099  -8.459  -5.819
  118   1HG   LYS  15          2HG       LYS  15   8.447  -8.065  -6.801
  119   2HG   LYS  15          1HG       LYS  15   9.059  -8.798  -5.318
  120   1HD   LYS  15          2HD       LYS  15   7.201 -10.066  -7.349
  121   2HD   LYS  15          1HD       LYS  15   8.855 -10.549  -6.974
  122   1HE   LYS  15          2HE       LYS  15   8.003 -10.901  -4.559
  123   2HE   LYS  15          1HE       LYS  15   6.386 -10.836  -5.262
  124   1HZ   LYS  15          1HZ       LYS  15   7.865 -12.514  -6.881
  125   2HZ   LYS  15          2HZ       LYS  15   6.635 -12.956  -5.796
  126   3HZ   LYS  15          3HZ       LYS  15   8.258 -12.960  -5.292
  127    H    LYS  16           H        LYS  16   9.385  -5.953  -5.795
  128    HA   LYS  16           HA       LYS  16  10.544  -5.940  -3.030
  129   1HB   LYS  16          2HB       LYS  16  12.760  -6.148  -4.315
  130   2HB   LYS  16          1HB       LYS  16  11.729  -7.578  -4.294
  131   1HG   LYS  16          2HG       LYS  16  10.815  -6.955  -6.503
  132   2HG   LYS  16          1HG       LYS  16  11.854  -5.532  -6.531
  133   1HD   LYS  16          2HD       LYS  16  13.024  -8.286  -6.147
  134   2HD   LYS  16          1HD       LYS  16  12.665  -7.678  -7.762
  135   1HE   LYS  16          2HE       LYS  16  14.036  -5.617  -7.167
  136   2HE   LYS  16          1HE       LYS  16  14.558  -6.485  -5.723
  137   1HZ   LYS  16          1HZ       LYS  16  15.939  -6.632  -7.895
  138   2HZ   LYS  16          2HZ       LYS  16  14.776  -7.784  -8.350
  139   3HZ   LYS  16          3HZ       LYS  16  15.709  -8.021  -6.949
  140    H    VAL  17           H        VAL  17   9.342  -3.695  -3.285
  141    HA   VAL  17           HA       VAL  17  10.266  -1.637  -4.947
  142    HB   VAL  17           HB       VAL  17   9.596  -0.072  -3.161
  143   1HG1  VAL  17          1HG1      VAL  17   7.306  -0.682  -3.124
  144   2HG1  VAL  17          2HG1      VAL  17   7.690  -2.401  -3.202
  145   3HG1  VAL  17          3HG1      VAL  17   7.949  -1.378  -4.610
  146   1HG2  VAL  17          1HG2      VAL  17   9.577  -2.618  -1.520
  147   2HG2  VAL  17          2HG2      VAL  17   8.698  -1.170  -1.028
  148   3HG2  VAL  17          3HG2      VAL  17  10.453  -1.123  -1.190
  149    H    LYS  18           H        LYS  18  11.616   0.250  -4.205
  150    HA   LYS  18           HA       LYS  18  14.168  -0.804  -3.121
  151   1HB   LYS  18          2HB       LYS  18  14.936   1.584  -3.904
  152   2HB   LYS  18          1HB       LYS  18  14.628   0.345  -5.120
  153   1HG   LYS  18          2HG       LYS  18  12.407   1.221  -5.542
  154   2HG   LYS  18          1HG       LYS  18  12.561   2.363  -4.207
  155   1HD   LYS  18          2HD       LYS  18  12.985   3.525  -6.311
  156   2HD   LYS  18          1HD       LYS  18  14.483   3.429  -5.386
  157   1HE   LYS  18          2HE       LYS  18  15.387   1.767  -6.780
  158   2HE   LYS  18          1HE       LYS  18  13.805   1.299  -7.406
  159   1HZ   LYS  18          1HZ       LYS  18  14.045   3.941  -8.054
  160   2HZ   LYS  18          2HZ       LYS  18  14.254   2.626  -9.109
  161   3HZ   LYS  18          3HZ       LYS  18  15.598   3.318  -8.334
  162    H    CYS  19           H        CYS  19  12.792  -0.804  -1.040
  163    HA   CYS  19           HA       CYS  19  11.755   1.197   0.412
  164   1HB   CYS  19          2HB       CYS  19  13.844  -0.793   1.293
  165   2HB   CYS  19          1HB       CYS  19  13.041   0.288   2.431
  166    H    ASP  20           H        ASP  20  15.239   0.927  -0.254
  167    HA   ASP  20           HA       ASP  20  16.285   2.907   1.395
  168   1HB   ASP  20          2HB       ASP  20  17.730   1.633  -0.076
  169   2HB   ASP  20          1HB       ASP  20  16.958   2.327  -1.502
  170    H    VAL  21           H        VAL  21  14.575   3.341  -1.676
  171    HA   VAL  21           HA       VAL  21  14.562   6.287  -1.215
  172    HB   VAL  21           HB       VAL  21  13.527   4.962  -3.705
  173   1HG1  VAL  21          1HG1      VAL  21  14.496   7.044  -4.712
  174   2HG1  VAL  21          2HG1      VAL  21  14.949   7.568  -3.091
  175   3HG1  VAL  21          3HG1      VAL  21  13.249   7.368  -3.511
  176   1HG2  VAL  21          1HG2      VAL  21  15.658   3.867  -3.405
  177   2HG2  VAL  21          2HG2      VAL  21  16.431   5.388  -2.957
  178   3HG2  VAL  21          3HG2      VAL  21  15.881   5.133  -4.613
  179    H    GLU  22           H        GLU  22  12.500   3.442  -1.611
  180    HA   GLU  22           HA       GLU  22   9.983   4.744  -1.790
  181   1HB   GLU  22          2HB       GLU  22  10.876   2.096  -1.525
  182   2HB   GLU  22          1HB       GLU  22   9.875   2.367  -0.098
  183   1HG   GLU  22          2HG       GLU  22   8.428   1.572  -1.858
  184   2HG   GLU  22          1HG       GLU  22   8.092   3.289  -1.632
  185    H    MET  23           H        MET  23  12.287   4.985   0.564
  186    HA   MET  23           HA       MET  23  10.290   5.912   2.594
  187   1HB   MET  23          2HB       MET  23  12.861   4.365   3.031
  188   2HB   MET  23          1HB       MET  23  11.997   5.191   4.324
  189   1HG   MET  23          2HG       MET  23   9.931   3.833   3.497
  190   2HG   MET  23          1HG       MET  23  11.125   2.815   2.694
  191   1HE   MET  23          1HE       MET  23   9.992   4.589   5.655
  192   2HE   MET  23          2HE       MET  23  11.517   4.557   6.534
  193   3HE   MET  23          3HE       MET  23  10.199   3.503   7.036
  194    H    ALA  24           H        ALA  24  13.684   6.118   1.493
  195    HA   ALA  24           HA       ALA  24  14.198   8.583   2.909
  196   1HB   ALA  24          1HB       ALA  24  16.277   8.633   1.700
  197   2HB   ALA  24          2HB       ALA  24  15.645   7.554   0.456
  198   3HB   ALA  24          3HB       ALA  24  15.947   6.944   2.083
  199    H    LYS  25           H        LYS  25  12.031   8.073   0.570
  200    HA   LYS  25           HA       LYS  25  12.462   9.922  -1.499
  201   1HB   LYS  25          2HB       LYS  25  10.050   8.853  -0.101
  202   2HB   LYS  25          1HB       LYS  25   9.812  10.278  -1.104
  203   1HG   LYS  25          2HG       LYS  25  10.127   9.129  -3.045
  204   2HG   LYS  25          1HG       LYS  25  11.436   8.159  -2.378
  205   1HD   LYS  25          2HD       LYS  25   9.590   6.680  -2.828
  206   2HD   LYS  25          1HD       LYS  25   9.711   6.863  -1.077
  207   1HE   LYS  25          2HE       LYS  25   7.363   7.059  -1.852
  208   2HE   LYS  25          1HE       LYS  25   7.935   8.554  -1.113
  209   1HZ   LYS  25          1HZ       LYS  25   8.280   9.517  -3.235
  210   2HZ   LYS  25          2HZ       LYS  25   6.723   8.837  -3.256
  211   3HZ   LYS  25          3HZ       LYS  25   8.010   8.045  -4.033
  212    H    ALA  26           H        ALA  26  10.608  11.937  -1.398
  213    HA   ALA  26           HA       ALA  26  11.744  13.729   0.694
  214   1HB   ALA  26          1HB       ALA  26  10.705  15.534  -0.747
  215   2HB   ALA  26          2HB       ALA  26  10.287  14.272  -1.906
  216   3HB   ALA  26          3HB       ALA  26  11.979  14.607  -1.537
  217    H    LEU  27           H        LEU  27   8.921  11.954  -0.071
  218    HA   LEU  27           HA       LEU  27   7.191  13.770   1.540
  219   1HB   LEU  27          2HB       LEU  27   5.320  12.479   0.716
  220   2HB   LEU  27          1HB       LEU  27   6.353  12.883  -0.652
  221    HG   LEU  27           HG       LEU  27   7.448  10.489   0.152
  222   1HD1  LEU  27          1HD1      LEU  27   5.732  10.009   1.796
  223   2HD1  LEU  27          2HD1      LEU  27   5.465   8.953   0.411
  224   3HD1  LEU  27          3HD1      LEU  27   4.454  10.377   0.637
  225   1HD2  LEU  27          1HD2      LEU  27   5.309  11.178  -1.867
  226   2HD2  LEU  27          2HD2      LEU  27   5.936   9.535  -1.736
  227   3HD2  LEU  27          3HD2      LEU  27   7.023  10.863  -2.143
  228    H    PHE  28           H        PHE  28   9.290  11.300   2.087
  229    HA   PHE  28           HA       PHE  28   7.682  10.249   4.392
  230   1HB   PHE  28          2HB       PHE  28   9.641   8.948   2.536
  231   2HB   PHE  28          1HB       PHE  28   9.571   8.377   4.199
  232    HD1  PHE  28           1HD      PHE  28   6.964   8.204   5.077
  233    HD2  PHE  28           2HD      PHE  28   8.331   7.752   1.029
  234    HE1  PHE  28           1HE      PHE  28   4.943   6.874   4.542
  235    HE2  PHE  28           2HE      PHE  28   6.308   6.423   0.495
  236    HZ   PHE  28           HZ       PHE  28   4.615   5.983   2.251
  237    H    ASP  29           H        ASP  29  10.927  11.246   3.320
  238    HA   ASP  29           HA       ASP  29  12.612  12.339   4.541
  239   1HB   ASP  29          2HB       ASP  29  10.981  12.227   7.062
  240   2HB   ASP  29          1HB       ASP  29  12.071  13.488   6.492
  241    H    CYS  30           H        CYS  30  12.486   9.480   4.283
  242    HA   CYS  30           HA       CYS  30  13.475   7.549   5.181
  243   1HB   CYS  30          2HB       CYS  30  15.412   9.134   5.168
  244   2HB   CYS  30          1HB       CYS  30  15.015   9.576   6.827
  245    H    LYS  31           H        LYS  31  11.216   7.334   6.282
  246    HA   LYS  31           HA       LYS  31  11.011   7.941   9.107
  247   1HB   LYS  31          2HB       LYS  31   9.497   5.815   7.571
  248   2HB   LYS  31          1HB       LYS  31   8.996   6.593   9.064
  249   1HG   LYS  31          2HG       LYS  31   9.348   7.966   6.385
  250   2HG   LYS  31          1HG       LYS  31   7.807   7.536   7.115
  251   1HD   LYS  31          2HD       LYS  31   9.821   9.556   8.138
  252   2HD   LYS  31          1HD       LYS  31   8.190   9.869   7.555
  253   1HE   LYS  31          2HE       LYS  31   7.459   8.242   9.472
  254   2HE   LYS  31          1HE       LYS  31   9.047   8.611  10.146
  255   1HZ   LYS  31          1HZ       LYS  31   6.748  10.149  10.298
  256   2HZ   LYS  31          2HZ       LYS  31   7.805  10.982   9.262
  257   3HZ   LYS  31          3HZ       LYS  31   8.303  10.563  10.830
  258    H    LYS  32           H        LYS  32   9.983   5.211   9.779
  259    HA   LYS  32           HA       LYS  32  12.592   3.761  10.044
  260   1HB   LYS  32          2HB       LYS  32  12.288   4.536  12.227
  261   2HB   LYS  32          1HB       LYS  32  10.531   4.488  12.108
  262   1HG   LYS  32          2HG       LYS  32  10.447   2.155  12.414
  263   2HG   LYS  32          1HG       LYS  32  12.146   1.947  11.994
  264   1HD   LYS  32          2HD       LYS  32  12.779   3.180  14.065
  265   2HD   LYS  32          1HD       LYS  32  11.072   3.278  14.498
  266   1HE   LYS  32          2HE       LYS  32  12.602   0.699  14.043
  267   2HE   LYS  32          1HE       LYS  32  12.208   1.375  15.623
  268   1HZ   LYS  32          1HZ       LYS  32  10.554  -0.097  13.818
  269   2HZ   LYS  32          2HZ       LYS  32   9.835   1.370  14.283
  270   3HZ   LYS  32          3HZ       LYS  32  10.318   0.247  15.462
  271    H    THR  33           H        THR  33   9.143   3.654   9.520
  272    HA   THR  33           HA       THR  33   9.405   0.803   8.692
  273    HB   THR  33           HB       THR  33   7.058   1.844  10.304
  274    HG1  THR  33           1HG      THR  33   9.357   0.386  11.081
  275   1HG2  THR  33          1HG2      THR  33   6.653  -0.631  10.555
  276   2HG2  THR  33          2HG2      THR  33   7.942  -0.900   9.381
  277   3HG2  THR  33          3HG2      THR  33   6.481  -0.033   8.905
  278    H    ASN  34           H        ASN  34   8.124   0.311   6.871
  279    HA   ASN  34           HA       ASN  34   6.171   2.335   5.946
  280   1HB   ASN  34          2HB       ASN  34   8.619   2.784   5.088
  281   2HB   ASN  34          1HB       ASN  34   8.272   1.451   3.990
  282   1HD2  ASN  34          1HD2      ASN  34   8.153   4.761   4.117
  283   2HD2  ASN  34          2HD2      ASN  34   6.875   5.043   3.036
  284    H    THR  35           H        THR  35   4.675   1.494   4.455
  285    HA   THR  35           HA       THR  35   4.987  -1.356   3.652
  286    HB   THR  35           HB       THR  35   2.613  -0.179   5.127
  287    HG1  THR  35           1HG      THR  35   4.155  -0.898   6.523
  288   1HG2  THR  35          1HG2      THR  35   1.723  -2.560   4.862
  289   2HG2  THR  35          2HG2      THR  35   2.952  -2.772   3.614
  290   3HG2  THR  35          3HG2      THR  35   1.692  -1.554   3.412
  291    H    PHE  36           H        PHE  36   3.661  -1.912   1.804
  292    HA   PHE  36           HA       PHE  36   2.097   0.246   0.533
  293   1HB   PHE  36          2HB       PHE  36   4.095  -0.959  -1.314
  294   2HB   PHE  36          1HB       PHE  36   3.431   0.665  -1.295
  295    HD1  PHE  36           1HD      PHE  36   5.595  -1.540   0.833
  296    HD2  PHE  36           2HD      PHE  36   4.858   2.402  -0.689
  297    HE1  PHE  36           1HE      PHE  36   7.665  -0.738   1.923
  298    HE2  PHE  36           2HE      PHE  36   6.929   3.211   0.404
  299    HZ   PHE  36           HZ       PHE  36   8.339   1.638   1.703
  300    H    ILE  37           H        ILE  37   1.337  -0.745  -1.763
  301    HA   ILE  37           HA       ILE  37   0.743  -3.643  -1.299
  302    HB   ILE  37           HB       ILE  37  -1.104  -1.554  -2.471
  303   1HG1  ILE  37          2HG1      ILE  37  -1.721  -2.988   0.080
  304   2HG1  ILE  37          1HG1      ILE  37  -0.499  -1.725   0.161
  305   1HG2  ILE  37          1HG2      ILE  37  -2.783  -3.430  -2.181
  306   2HG2  ILE  37          2HG2      ILE  37  -1.417  -4.500  -1.863
  307   3HG2  ILE  37          3HG2      ILE  37  -1.568  -3.706  -3.430
  308   1HD1  ILE  37          1HD1      ILE  37  -3.129  -1.216   0.434
  309   2HD1  ILE  37          2HD1      ILE  37  -2.994  -1.042  -1.314
  310   3HD1  ILE  37          3HD1      ILE  37  -2.001  -0.047  -0.247
  311    H    TYR  38           H        TYR  38   1.156  -4.976  -2.999
  312    HA   TYR  38           HA       TYR  38   2.153  -3.699  -5.501
  313   1HB   TYR  38          2HB       TYR  38   3.572  -5.430  -4.482
  314   2HB   TYR  38          1HB       TYR  38   2.241  -6.582  -4.562
  315    HD1  TYR  38           1HD      TYR  38   3.985  -4.171  -6.857
  316    HD2  TYR  38           2HD      TYR  38   2.265  -8.075  -6.345
  317    HE1  TYR  38           1HE      TYR  38   4.620  -4.757  -9.181
  318    HE2  TYR  38           2HE      TYR  38   2.902  -8.659  -8.668
  319    HH   TYR  38           HH       TYR  38   3.637  -6.527 -10.964
  320    H    ALA  39           H        ALA  39   0.274  -3.150  -6.642
  321    HA   ALA  39           HA       ALA  39  -1.218  -5.425  -7.785
  322   1HB   ALA  39          1HB       ALA  39  -2.540  -3.240  -6.155
  323   2HB   ALA  39          2HB       ALA  39  -2.596  -4.977  -5.857
  324   3HB   ALA  39          3HB       ALA  39  -3.421  -4.296  -7.260
  325    H    LEU  40           H        LEU  40  -2.258  -4.851  -9.777
  326    HA   LEU  40           HA       LEU  40  -1.066  -2.515 -11.060
  327   1HB   LEU  40          2HB       LEU  40  -1.559  -3.551 -13.043
  328   2HB   LEU  40          1HB       LEU  40  -1.678  -4.958 -11.995
  329    HG   LEU  40           HG       LEU  40  -4.213  -4.124 -11.768
  330   1HD1  LEU  40          1HD1      LEU  40  -3.558  -3.320 -14.603
  331   2HD1  LEU  40          2HD1      LEU  40  -3.564  -2.135 -13.302
  332   3HD1  LEU  40          3HD1      LEU  40  -5.036  -3.020 -13.694
  333   1HD2  LEU  40          1HD2      LEU  40  -4.724  -5.606 -13.758
  334   2HD2  LEU  40          2HD2      LEU  40  -3.640  -6.325 -12.567
  335   3HD2  LEU  40          3HD2      LEU  40  -2.990  -5.669 -14.070
  336    HA   PRO  41           HA       PRO  41  -3.985   0.681 -10.321
  337   1HB   PRO  41          2HB       PRO  41  -4.368   0.774 -13.282
  338   2HB   PRO  41          1HB       PRO  41  -3.988   2.085 -12.151
  339   1HG   PRO  41          2HG       PRO  41  -2.164   0.853 -13.784
  340   2HG   PRO  41          1HG       PRO  41  -1.765   1.721 -12.296
  341   1HD   PRO  41          2HD       PRO  41  -1.543  -1.123 -12.824
  342   2HD   PRO  41          1HD       PRO  41  -1.041  -0.229 -11.374
  343    H    GLY  42           H        GLY  42  -5.090  -1.264 -13.122
  344   1HA   GLY  42          2HA       GLY  42  -7.855  -0.854 -12.756
  345   2HA   GLY  42          1HA       GLY  42  -7.173  -2.282 -13.531
  346    H    ARG  43           H        ARG  43  -5.784  -3.369 -11.327
  347    HA   ARG  43           HA       ARG  43  -7.850  -4.821 -10.017
  348   1HB   ARG  43          2HB       ARG  43  -5.512  -5.634 -10.307
  349   2HB   ARG  43          1HB       ARG  43  -4.983  -4.456  -9.106
  350   1HG   ARG  43          2HG       ARG  43  -6.243  -5.508  -7.374
  351   2HG   ARG  43          1HG       ARG  43  -7.137  -6.497  -8.528
  352   1HD   ARG  43          2HD       ARG  43  -4.159  -6.690  -7.990
  353   2HD   ARG  43          1HD       ARG  43  -5.379  -7.820  -7.404
  354    HE   ARG  43           HE       ARG  43  -5.607  -7.622 -10.243
  355   1HH1  ARG  43          1HH2      ARG  43  -3.524  -8.750  -7.737
  356   2HH1  ARG  43          2HH2      ARG  43  -2.844 -10.025  -8.694
  357   1HH2  ARG  43          1HH1      ARG  43  -4.732  -9.280 -11.506
  358   2HH2  ARG  43          2HH1      ARG  43  -3.528 -10.324 -10.828
  359    H    VAL  44           H        VAL  44  -6.100  -1.889  -9.089
  360    HA   VAL  44           HA       VAL  44  -7.120  -1.930  -6.357
  361    HB   VAL  44           HB       VAL  44  -6.223   0.640  -7.586
  362   1HG1  VAL  44          1HG1      VAL  44  -5.478  -0.873  -5.062
  363   2HG1  VAL  44          2HG1      VAL  44  -6.681   0.414  -5.168
  364   3HG1  VAL  44          3HG1      VAL  44  -4.980   0.770  -5.462
  365   1HG2  VAL  44          1HG2      VAL  44  -4.716  -0.848  -8.723
  366   2HG2  VAL  44          2HG2      VAL  44  -4.463  -1.805  -7.267
  367   3HG2  VAL  44          3HG2      VAL  44  -3.827  -0.165  -7.367
  368    H    LYS  45           H        LYS  45  -7.765   0.235  -9.142
  369    HA   LYS  45           HA       LYS  45 -10.036   1.501  -7.976
  370   1HB   LYS  45          2HB       LYS  45  -9.706   0.958 -10.937
  371   2HB   LYS  45          1HB       LYS  45 -10.515   2.323 -10.166
  372   1HG   LYS  45          2HG       LYS  45  -8.356   3.096  -9.256
  373   2HG   LYS  45          1HG       LYS  45  -7.544   1.731 -10.019
  374   1HD   LYS  45          2HD       LYS  45  -7.293   3.719 -11.420
  375   2HD   LYS  45          1HD       LYS  45  -8.314   2.538 -12.239
  376   1HE   LYS  45          2HE       LYS  45  -9.655   4.573 -10.500
  377   2HE   LYS  45          1HE       LYS  45  -9.038   5.099 -12.065
  378   1HZ   LYS  45          1HZ       LYS  45 -11.429   4.051 -11.783
  379   2HZ   LYS  45          2HZ       LYS  45 -10.557   2.609 -11.997
  380   3HZ   LYS  45          3HZ       LYS  45 -10.506   3.819 -13.187
  381    H    ALA  46           H        ALA  46  -9.558  -1.630  -9.286
  382    HA   ALA  46           HA       ALA  46 -12.391  -2.165  -9.827
  383   1HB   ALA  46          1HB       ALA  46  -9.922  -3.924  -9.746
  384   2HB   ALA  46          2HB       ALA  46 -10.761  -3.335 -11.182
  385   3HB   ALA  46          3HB       ALA  46 -11.531  -4.527 -10.137
  386    H    LEU  47           H        LEU  47 -10.102  -2.566  -7.203
  387    HA   LEU  47           HA       LEU  47 -11.526  -4.506  -5.684
  388   1HB   LEU  47          2HB       LEU  47  -9.118  -3.570  -5.386
  389   2HB   LEU  47          1HB       LEU  47  -9.895  -2.287  -4.457
  390    HG   LEU  47           HG       LEU  47 -11.102  -4.353  -3.297
  391   1HD1  LEU  47          1HD1      LEU  47  -9.854  -5.927  -4.884
  392   2HD1  LEU  47          2HD1      LEU  47  -9.767  -6.324  -3.168
  393   3HD1  LEU  47          3HD1      LEU  47  -8.402  -5.536  -3.961
  394   1HD2  LEU  47          1HD2      LEU  47  -8.299  -3.347  -2.741
  395   2HD2  LEU  47          2HD2      LEU  47  -9.202  -4.359  -1.613
  396   3HD2  LEU  47          3HD2      LEU  47  -9.807  -2.758  -2.038
  397    H    CYS  48           H        CYS  48 -12.339  -1.290  -6.451
  398    HA   CYS  48           HA       CYS  48 -14.497  -1.362  -4.404
  399   1HB   CYS  48          2HB       CYS  48 -12.454   0.831  -4.760
  400   2HB   CYS  48          1HB       CYS  48 -14.056   1.184  -4.114
  401    H    LYS  49           H        LYS  49 -14.883  -1.982  -7.050
  402    HA   LYS  49           HA       LYS  49 -15.784   0.490  -8.415
  403   1HB   LYS  49          2HB       LYS  49 -16.121  -0.922 -10.350
  404   2HB   LYS  49          1HB       LYS  49 -14.554  -1.327  -9.650
  405   1HG   LYS  49          2HG       LYS  49 -15.736  -3.180  -8.368
  406   2HG   LYS  49          1HG       LYS  49 -17.147  -2.865  -9.379
  407   1HD   LYS  49          2HD       LYS  49 -15.586  -3.159 -11.390
  408   2HD   LYS  49          1HD       LYS  49 -14.416  -3.821 -10.249
  409   1HE   LYS  49          2HE       LYS  49 -15.984  -5.562  -9.580
  410   2HE   LYS  49          1HE       LYS  49 -17.241  -4.862 -10.598
  411   1HZ   LYS  49          1HZ       LYS  49 -16.428  -5.892 -12.367
  412   2HZ   LYS  49          2HZ       LYS  49 -15.387  -6.751 -11.335
  413   3HZ   LYS  49          3HZ       LYS  49 -14.859  -5.317 -12.075
  414    H    ASN  50           H        ASN  50 -17.940   0.997  -8.702
  415    HA   ASN  50           HA       ASN  50 -20.274   0.849  -8.507
  416   1HB   ASN  50          2HB       ASN  50 -20.102  -2.017  -7.626
  417   2HB   ASN  50          1HB       ASN  50 -21.304  -1.231  -8.649
  418   1HD2  ASN  50          1HD2      ASN  50 -18.940   0.104 -10.162
  419   2HD2  ASN  50          2HD2      ASN  50 -18.402  -1.120 -11.208
  420    H    ILE  51           H        ILE  51 -18.102   0.690  -6.088
  421    HA   ILE  51           HA       ILE  51 -19.699  -0.111  -3.831
  422    HB   ILE  51           HB       ILE  51 -17.333   1.779  -3.997
  423   1HG1  ILE  51          2HG1      ILE  51 -16.827  -0.495  -4.773
  424   2HG1  ILE  51          1HG1      ILE  51 -16.057  -0.199  -3.216
  425   1HG2  ILE  51          1HG2      ILE  51 -17.133   0.986  -1.521
  426   2HG2  ILE  51          2HG2      ILE  51 -18.848   0.610  -1.676
  427   3HG2  ILE  51          3HG2      ILE  51 -18.281   2.265  -1.911
  428   1HD1  ILE  51          1HD1      ILE  51 -18.346  -1.232  -2.297
  429   2HD1  ILE  51          2HD1      ILE  51 -17.005  -2.263  -2.789
  430   3HD1  ILE  51          3HD1      ILE  51 -18.353  -1.991  -3.889
  431    H    ARG  52           H        ARG  52 -20.138   1.664  -2.052
  432    HA   ARG  52           HA       ARG  52 -21.829   3.724  -3.372
  433   1HB   ARG  52          2HB       ARG  52 -21.765   2.773  -0.492
  434   2HB   ARG  52          1HB       ARG  52 -22.926   3.914  -1.172
  435   1HG   ARG  52          2HG       ARG  52 -23.889   2.261  -2.582
  436   2HG   ARG  52          1HG       ARG  52 -22.543   1.150  -2.327
  437   1HD   ARG  52          2HD       ARG  52 -24.547   0.491  -1.015
  438   2HD   ARG  52          1HD       ARG  52 -23.176   0.879   0.024
  439    HE   ARG  52           HE       ARG  52 -24.370   2.766   0.820
  440   1HH1  ARG  52          1HH2      ARG  52 -25.780   1.391  -2.009
  441   2HH1  ARG  52          2HH2      ARG  52 -27.218   2.352  -1.921
  442   1HH2  ARG  52          1HH1      ARG  52 -26.239   4.031   0.951
  443   2HH2  ARG  52          2HH1      ARG  52 -27.478   3.847  -0.246
  444    H    ASP  53           H        ASP  53 -21.305   4.638  -0.229
  445    HA   ASP  53           HA       ASP  53 -19.376   6.745  -1.080
  446   1HB   ASP  53          2HB       ASP  53 -21.014   6.666   1.453
  447   2HB   ASP  53          1HB       ASP  53 -20.238   8.063   0.709
  448    H    ASN  54           H        ASN  54 -18.906   7.300   1.765
  449    HA   ASN  54           HA       ASN  54 -16.424   5.919   2.055
  450   1HB   ASN  54          2HB       ASN  54 -16.475   6.865   4.401
  451   2HB   ASN  54          1HB       ASN  54 -16.700   8.058   3.122
  452   1HD2  ASN  54          1HD2      ASN  54 -18.409   6.224   5.649
  453   2HD2  ASN  54          2HD2      ASN  54 -19.799   7.199   5.653
  454    H    THR  55           H        THR  55 -16.367   3.748   2.330
  455    HA   THR  55           HA       THR  55 -17.712   2.605   4.700
  456    HB   THR  55           HB       THR  55 -17.977   0.968   2.220
  457    HG1  THR  55           1HG      THR  55 -18.768   3.428   2.169
  458   1HG2  THR  55          1HG2      THR  55 -20.061   0.302   3.310
  459   2HG2  THR  55          2HG2      THR  55 -19.858   1.566   4.523
  460   3HG2  THR  55          3HG2      THR  55 -18.733   0.209   4.466
  461    H    ASP  56           H        ASP  56 -16.812   0.414   5.184
  462    HA   ASP  56           HA       ASP  56 -13.945   0.342   4.484
  463   1HB   ASP  56          2HB       ASP  56 -15.532  -1.438   6.357
  464   2HB   ASP  56          1HB       ASP  56 -13.774  -1.341   6.247
  465    H    VAL  57           H        VAL  57 -12.931  -1.415   3.446
  466    HA   VAL  57           HA       VAL  57 -14.744  -3.481   2.262
  467    HB   VAL  57           HB       VAL  57 -13.871  -3.189   0.119
  468   1HG1  VAL  57          1HG1      VAL  57 -14.133  -0.892  -0.407
  469   2HG1  VAL  57          2HG1      VAL  57 -13.499  -0.376   1.155
  470   3HG1  VAL  57          3HG1      VAL  57 -15.093  -1.123   1.054
  471   1HG2  VAL  57          1HG2      VAL  57 -11.547  -3.369   0.382
  472   2HG2  VAL  57          2HG2      VAL  57 -11.482  -2.065   1.565
  473   3HG2  VAL  57          3HG2      VAL  57 -11.724  -1.693  -0.141
  474    H    LEU  58           H        LEU  58 -13.449  -5.424   1.502
  475    HA   LEU  58           HA       LEU  58 -10.920  -5.802   3.044
  476   1HB   LEU  58          2HB       LEU  58 -13.337  -6.754   3.950
  477   2HB   LEU  58          1HB       LEU  58 -12.771  -8.122   2.998
  478    HG   LEU  58           HG       LEU  58 -12.042  -8.320   5.336
  479   1HD1  LEU  58          1HD1      LEU  58  -9.593  -7.605   3.735
  480   2HD1  LEU  58          2HD1      LEU  58 -10.595  -8.990   3.296
  481   3HD1  LEU  58          3HD1      LEU  58  -9.823  -8.928   4.879
  482   1HD2  LEU  58          1HD2      LEU  58 -11.796  -5.595   5.303
  483   2HD2  LEU  58          2HD2      LEU  58 -10.108  -6.083   5.150
  484   3HD2  LEU  58          3HD2      LEU  58 -11.065  -6.636   6.522
  485    H    SER  59           H        SER  59  -9.370  -6.917   1.837
  486    HA   SER  59           HA       SER  59  -9.764  -7.390  -0.916
  487   1HB   SER  59          2HB       SER  59  -7.627  -7.713   0.924
  488   2HB   SER  59          1HB       SER  59  -7.776  -9.219   0.024
  489    HG   SER  59           HG       SER  59  -7.629  -6.600  -1.067
  490    H    ARG  60           H        ARG  60  -9.607  -9.600  -2.005
  491    HA   ARG  60           HA       ARG  60 -11.876 -11.166  -1.190
  492   1HB   ARG  60          2HB       ARG  60  -9.685 -11.700  -3.213
  493   2HB   ARG  60          1HB       ARG  60 -11.114 -12.716  -3.018
  494   1HG   ARG  60          2HG       ARG  60 -12.582 -10.947  -3.661
  495   2HG   ARG  60          1HG       ARG  60 -11.302  -9.740  -3.521
  496   1HD   ARG  60          2HD       ARG  60 -10.182 -10.543  -5.456
  497   2HD   ARG  60          1HD       ARG  60 -11.110 -12.043  -5.466
  498    HE   ARG  60           HE       ARG  60 -12.760  -9.651  -5.781
  499   1HH1  ARG  60          1HH2      ARG  60 -10.812 -12.071  -7.274
  500   2HH1  ARG  60          2HH2      ARG  60 -11.582 -11.927  -8.819
  501   1HH2  ARG  60          1HH1      ARG  60 -13.776  -9.447  -7.789
  502   2HH2  ARG  60          2HH1      ARG  60 -13.261 -10.441  -9.111
  503    H    ASP  61           H        ASP  61  -8.376 -11.928  -1.224
  504    HA   ASP  61           HA       ASP  61  -8.863 -13.765   1.070
  505   1HB   ASP  61          2HB       ASP  61  -7.450 -14.525  -1.503
  506   2HB   ASP  61          1HB       ASP  61  -7.435 -15.498  -0.031
  507    H    ALA  62           H        ALA  62  -6.131 -12.912  -1.099
  508    HA   ALA  62           HA       ALA  62  -4.747 -11.712   1.229
  509   1HB   ALA  62          1HB       ALA  62  -3.331 -13.792  -0.438
  510   2HB   ALA  62          2HB       ALA  62  -4.212 -14.227   1.027
  511   3HB   ALA  62          3HB       ALA  62  -2.844 -13.117   1.117
  512    H    PHE  63           H        PHE  63  -2.693 -10.616   0.524
  513    HA   PHE  63           HA       PHE  63  -2.510 -10.023  -2.368
  514   1HB   PHE  63          2HB       PHE  63  -3.567  -8.156  -0.313
  515   2HB   PHE  63          1HB       PHE  63  -2.352  -7.473  -1.394
  516    HD1  PHE  63           1HD      PHE  63  -5.605  -9.292  -1.315
  517    HD2  PHE  63           2HD      PHE  63  -2.871  -6.940  -3.650
  518    HE1  PHE  63           1HE      PHE  63  -7.308  -9.088  -3.107
  519    HE2  PHE  63           2HE      PHE  63  -4.575  -6.736  -5.440
  520    HZ   PHE  63           HZ       PHE  63  -6.794  -7.810  -5.169
  521    H    LEU  64           H        LEU  64  -0.395  -9.718  -2.931
  522    HA   LEU  64           HA       LEU  64   1.642 -10.001  -0.858
  523   1HB   LEU  64          2HB       LEU  64   1.672 -10.961  -3.265
  524   2HB   LEU  64          1HB       LEU  64   2.161  -9.343  -3.760
  525    HG   LEU  64           HG       LEU  64   3.613 -10.837  -1.566
  526   1HD1  LEU  64          1HD1      LEU  64   5.262 -11.490  -3.315
  527   2HD1  LEU  64          2HD1      LEU  64   4.160 -10.877  -4.548
  528   3HD1  LEU  64          3HD1      LEU  64   3.690 -12.255  -3.553
  529   1HD2  LEU  64          1HD2      LEU  64   4.236  -8.556  -1.557
  530   2HD2  LEU  64          2HD2      LEU  64   4.157  -8.432  -3.315
  531   3HD2  LEU  64          3HD2      LEU  64   5.481  -9.310  -2.550
  532    H    LEU  65           H        LEU  65   2.227  -8.222   0.327
  533    HA   LEU  65           HA       LEU  65   2.470  -5.641  -1.156
  534   1HB   LEU  65          2HB       LEU  65   2.299  -5.069   1.612
  535   2HB   LEU  65          1HB       LEU  65   1.125  -4.691   0.367
  536    HG   LEU  65           HG       LEU  65   1.168  -7.427   1.600
  537   1HD1  LEU  65          1HD1      LEU  65  -0.514  -6.538   3.228
  538   2HD1  LEU  65          2HD1      LEU  65  -0.145  -4.908   2.665
  539   3HD1  LEU  65          3HD1      LEU  65   1.097  -5.865   3.473
  540   1HD2  LEU  65          1HD2      LEU  65  -0.209  -7.020  -0.418
  541   2HD2  LEU  65          2HD2      LEU  65  -0.975  -5.647   0.375
  542   3HD2  LEU  65          3HD2      LEU  65  -1.243  -7.278   0.986
  543    HA   PRO  66           HA       PRO  66   6.729  -5.964   0.194
  544   1HB   PRO  66          2HB       PRO  66   7.552  -3.491  -0.642
  545   2HB   PRO  66          1HB       PRO  66   7.311  -4.855  -1.749
  546   1HG   PRO  66          2HG       PRO  66   5.579  -2.509  -1.244
  547   2HG   PRO  66          1HG       PRO  66   5.850  -3.407  -2.740
  548   1HD   PRO  66          2HD       PRO  66   3.611  -3.682  -1.135
  549   2HD   PRO  66          1HD       PRO  66   4.183  -4.900  -2.296
  550    H    GLN  67           H        GLN  67   7.994  -5.072   1.996
  551    HA   GLN  67           HA       GLN  67   6.759  -2.798   3.449
  552   1HB   GLN  67          2HB       GLN  67   7.418  -5.321   4.963
  553   2HB   GLN  67          1HB       GLN  67   6.420  -3.959   5.471
  554   1HG   GLN  67          2HG       GLN  67   4.748  -4.556   3.739
  555   2HG   GLN  67          1HG       GLN  67   5.733  -5.949   3.288
  556   1HE2  GLN  67          1HE2      GLN  67   3.796  -4.577   5.959
  557   2HE2  GLN  67          2HE2      GLN  67   3.577  -6.051   6.772
  558    H    CYS  68           H        CYS  68   8.292  -1.493   4.298
  559    HA   CYS  68           HA       CYS  68  11.119  -2.433   4.214
  560   1HB   CYS  68          2HB       CYS  68  10.097   0.351   4.807
  561   2HB   CYS  68          1HB       CYS  68  11.723  -0.111   4.309
  562    H    ASP  69           H        ASP  69  12.362  -2.620   6.067
  563    HA   ASP  69           HA       ASP  69  11.095  -1.823   8.659
  564   1HB   ASP  69          2HB       ASP  69  12.189  -4.509   7.845
  565   2HB   ASP  69          1HB       ASP  69  12.166  -4.023   9.540
  566    H    ARG  70           H        ARG  70  12.472  -0.420   9.622
  567    HA   ARG  70           HA       ARG  70  15.280  -0.252   8.884
  568   1HB   ARG  70          2HB       ARG  70  13.640   1.608   9.791
  569   2HB   ARG  70          1HB       ARG  70  14.172   1.027  11.368
  570   1HG   ARG  70          2HG       ARG  70  16.568   1.280  10.458
  571   2HG   ARG  70          1HG       ARG  70  15.843   2.223   9.156
  572   1HD   ARG  70          2HD       ARG  70  16.488   3.799  10.840
  573   2HD   ARG  70          1HD       ARG  70  14.737   3.638  10.962
  574    HE   ARG  70           HE       ARG  70  15.029   2.657  13.092
  575   1HH1  ARG  70          1HH2      ARG  70  17.953   2.725  11.265
  576   2HH1  ARG  70          2HH2      ARG  70  18.944   2.194  12.582
  577   1HH2  ARG  70          1HH1      ARG  70  16.307   1.965  14.822
  578   2HH2  ARG  70          2HH1      ARG  70  18.013   1.763  14.596
  579    H    ILE  71           H        ILE  71  17.083  -0.683  10.307
  580    HA   ILE  71           HA       ILE  71  16.746  -1.942  12.878
  581    HB   ILE  71           HB       ILE  71  15.928  -3.810  11.501
  582   1HG1  ILE  71          2HG1      ILE  71  18.755  -4.377  12.441
  583   2HG1  ILE  71          1HG1      ILE  71  17.384  -4.201  13.537
  584   1HG2  ILE  71          1HG2      ILE  71  18.659  -3.838  10.199
  585   2HG2  ILE  71          2HG2      ILE  71  17.268  -3.046   9.460
  586   3HG2  ILE  71          3HG2      ILE  71  17.239  -4.785   9.757
  587   1HD1  ILE  71          1HD1      ILE  71  17.712  -6.568  13.063
  588   2HD1  ILE  71          2HD1      ILE  71  17.670  -6.257  11.327
  589   3HD1  ILE  71          3HD1      ILE  71  16.215  -6.032  12.299
  590    H    LYS  72           H        LYS  72  18.800  -1.628   9.989
  591    HA   LYS  72           HA       LYS  72  21.156  -1.319  11.821
  592   1HB   LYS  72          2HB       LYS  72  20.923  -3.256   9.967
  593   2HB   LYS  72          1HB       LYS  72  21.554  -1.978   8.933
  594   1HG   LYS  72          2HG       LYS  72  23.352  -1.640  10.758
  595   2HG   LYS  72          1HG       LYS  72  22.824  -3.197  11.390
  596   1HD   LYS  72          2HD       LYS  72  23.573  -2.870   8.481
  597   2HD   LYS  72          1HD       LYS  72  24.794  -3.194   9.711
  598   1HE   LYS  72          2HE       LYS  72  23.532  -5.213  10.408
  599   2HE   LYS  72          1HE       LYS  72  22.357  -4.902   9.130
  600   1HZ   LYS  72          1HZ       LYS  72  24.172  -6.520   8.571
  601   2HZ   LYS  72          2HZ       LYS  72  25.257  -5.212   8.606
  602   3HZ   LYS  72          3HZ       LYS  72  23.985  -5.234   7.479
  603    H    LEU  73           H        LEU  73  22.914   0.094  10.705
  604    HA   LEU  73           HA       LEU  73  23.452   2.298  10.109
  605   1HB   LEU  73          2HB       LEU  73  21.701   1.219   7.911
  606   2HB   LEU  73          1HB       LEU  73  22.373   2.835   7.787
  607    HG   LEU  73           HG       LEU  73  23.733   0.943   6.733
  608   1HD1  LEU  73          1HD1      LEU  73  25.773   2.019   7.192
  609   2HD1  LEU  73          2HD1      LEU  73  25.306   2.401   8.848
  610   3HD1  LEU  73          3HD1      LEU  73  24.575   3.274   7.501
  611   1HD2  LEU  73          1HD2      LEU  73  25.038  -0.471   8.155
  612   2HD2  LEU  73          2HD2      LEU  73  23.371  -0.598   8.704
  613   3HD2  LEU  73          3HD2      LEU  73  24.519   0.393   9.600
  614    HA   PRO  74           HA       PRO  74  20.201   5.072  11.310
  615   1HB   PRO  74          2HB       PRO  74  20.943   7.335   9.729
  616   2HB   PRO  74          1HB       PRO  74  21.487   6.947  11.369
  617   1HG   PRO  74          2HG       PRO  74  23.079   6.966   9.086
  618   2HG   PRO  74          1HG       PRO  74  23.489   6.212  10.634
  619   1HD   PRO  74          2HD       PRO  74  22.443   4.943   8.135
  620   2HD   PRO  74          1HD       PRO  74  23.582   4.295   9.339
  621    H    CYS  75           H        CYS  75  20.620   5.145   7.771
  622    HA   CYS  75           HA       CYS  75  17.649   5.463   7.529
  623   1HB   CYS  75          2HB       CYS  75  19.042   7.514   6.893
  624   2HB   CYS  75          1HB       CYS  75  19.647   6.555   5.543
  625    H    HIS  76           H        HIS  76  18.264   2.959   7.597
  626    HA   HIS  76           HA       HIS  76  18.279   2.079   4.749
  627   1HB   HIS  76          2HB       HIS  76  20.573   1.799   5.932
  628   2HB   HIS  76          1HB       HIS  76  19.777   0.531   6.865
  629    HD1  HIS  76           1HD      HIS  76  18.798   1.076   3.294
  630    HD2  HIS  76           2HD      HIS  76  21.238  -1.512   5.474
  631    HE1  HIS  76           1HE      HIS  76  19.419  -0.816   1.726
  632    HE2  HIS  76           2HE      HIS  76  20.904  -2.397   3.044
  633    H    TYR  77           H        TYR  77  17.032   0.155   4.410
  634    HA   TYR  77           HA       TYR  77  15.612  -0.909   6.810
  635   1HB   TYR  77          2HB       TYR  77  14.026  -0.530   4.310
  636   2HB   TYR  77          1HB       TYR  77  13.499  -0.475   5.991
  637    HD1  TYR  77           1HD      TYR  77  13.534   1.569   7.250
  638    HD2  TYR  77           2HD      TYR  77  15.239   1.410   3.310
  639    HE1  TYR  77           1HE      TYR  77  13.695   4.044   7.218
  640    HE2  TYR  77           2HE      TYR  77  15.400   3.886   3.281
  641    HH   TYR  77           HH       TYR  77  15.573   5.737   5.157
  642    H    LYS  78           H        LYS  78  14.445  -2.968   6.288
  643    HA   LYS  78           HA       LYS  78  16.037  -4.559   4.320
  644   1HB   LYS  78          2HB       LYS  78  14.582  -5.284   6.869
  645   2HB   LYS  78          1HB       LYS  78  15.058  -6.513   5.698
  646   1HG   LYS  78          2HG       LYS  78  17.118  -4.523   6.594
  647   2HG   LYS  78          1HG       LYS  78  16.684  -5.834   7.690
  648   1HD   LYS  78          2HD       LYS  78  17.350  -7.503   6.129
  649   2HD   LYS  78          1HD       LYS  78  17.425  -6.342   4.803
  650   1HE   LYS  78          2HE       LYS  78  19.674  -7.011   5.785
  651   2HE   LYS  78          1HE       LYS  78  19.363  -5.276   5.729
  652   1HZ   LYS  78          1HZ       LYS  78  19.008  -5.174   7.985
  653   2HZ   LYS  78          2HZ       LYS  78  20.235  -6.346   7.897
  654   3HZ   LYS  78          3HZ       LYS  78  18.619  -6.819   8.121
  655    H    LEU  79           H        LEU  79  14.872  -6.046   2.954
  656    HA   LEU  79           HA       LEU  79  12.178  -5.063   2.258
  657   1HB   LEU  79          2HB       LEU  79  13.701  -5.402   0.412
  658   2HB   LEU  79          1HB       LEU  79  14.052  -7.047   0.939
  659    HG   LEU  79           HG       LEU  79  11.785  -7.755   0.446
  660   1HD1  LEU  79          1HD1      LEU  79  10.284  -5.974  -0.719
  661   2HD1  LEU  79          2HD1      LEU  79  11.340  -4.796   0.059
  662   3HD1  LEU  79          3HD1      LEU  79  10.412  -5.931   1.037
  663   1HD2  LEU  79          1HD2      LEU  79  11.829  -7.571  -1.933
  664   2HD2  LEU  79          2HD2      LEU  79  13.515  -7.479  -1.424
  665   3HD2  LEU  79          3HD2      LEU  79  12.648  -6.010  -1.870
  666    H    SER  80           H        SER  80  10.379  -6.052   2.996
  667    HA   SER  80           HA       SER  80  10.401  -8.979   3.478
  668   1HB   SER  80          2HB       SER  80  10.861  -8.270   5.691
  669   2HB   SER  80          1HB       SER  80   9.822  -6.855   5.545
  670    HG   SER  80           HG       SER  80   8.171  -8.045   6.073
  671    H    SER  81           H        SER  81   8.627  -9.759   2.431
  672    HA   SER  81           HA       SER  81   6.157  -8.070   2.391
  673   1HB   SER  81          2HB       SER  81   5.884  -8.298   0.088
  674   2HB   SER  81          1HB       SER  81   7.633  -8.138   0.209
  675    HG   SER  81           HG       SER  81   6.308 -10.639   0.293
  676    H    SER  82           H        SER  82   4.188  -9.350   1.972
  677    HA   SER  82           HA       SER  82   4.333 -12.262   2.118
  678   1HB   SER  82          2HB       SER  82   4.715 -11.777   4.476
  679   2HB   SER  82          1HB       SER  82   3.356 -10.659   4.503
  680    HG   SER  82           HG       SER  82   3.283 -13.193   5.033
  681    H    THR  83           H        THR  83   2.077 -13.190   2.188
  682    HA   THR  83           HA       THR  83   0.255 -11.376   0.707
  683    HB   THR  83           HB       THR  83  -0.750 -13.903   0.443
  684    HG1  THR  83           1HG      THR  83   1.794 -14.591  -0.020
  685   1HG2  THR  83          1HG2      THR  83   0.438 -13.920  -1.739
  686   2HG2  THR  83          2HG2      THR  83   1.451 -12.594  -1.167
  687   3HG2  THR  83          3HG2      THR  83  -0.282 -12.348  -1.388
  688    H    ASN  84           H        ASN  84  -1.449 -10.596   1.822
  689    HA   ASN  84           HA       ASN  84  -2.997 -12.320   3.607
  690   1HB   ASN  84          2HB       ASN  84  -2.765 -10.832   5.581
  691   2HB   ASN  84          1HB       ASN  84  -1.226 -11.577   5.145
  692   1HD2  ASN  84          1HD2      ASN  84  -2.048  -8.814   6.404
  693   2HD2  ASN  84          2HD2      ASN  84  -1.127  -7.705   5.509
  694    H    THR  85           H        THR  85  -5.091 -11.382   4.045
  695    HA   THR  85           HA       THR  85  -6.032  -9.585   2.028
  696    HB   THR  85           HB       THR  85  -7.716  -9.679   4.420
  697    HG1  THR  85           1HG      THR  85  -6.879 -12.135   3.284
  698   1HG2  THR  85          1HG2      THR  85  -8.618  -9.258   2.210
  699   2HG2  THR  85          2HG2      THR  85  -9.254 -10.796   2.783
  700   3HG2  THR  85          3HG2      THR  85  -7.947 -10.770   1.602
  701    H    ILE  86           H        ILE  86  -6.998  -7.417   2.469
  702    HA   ILE  86           HA       ILE  86  -5.775  -6.005   4.790
  703    HB   ILE  86           HB       ILE  86  -4.532  -4.567   3.510
  704   1HG1  ILE  86          2HG1      ILE  86  -6.749  -4.793   1.446
  705   2HG1  ILE  86          1HG1      ILE  86  -6.374  -3.410   2.475
  706   1HG2  ILE  86          1HG2      ILE  86  -3.928  -6.889   2.753
  707   2HG2  ILE  86          2HG2      ILE  86  -3.578  -5.644   1.558
  708   3HG2  ILE  86          3HG2      ILE  86  -5.004  -6.668   1.374
  709   1HD1  ILE  86          1HD1      ILE  86  -4.792  -4.474   0.136
  710   2HD1  ILE  86          2HD1      ILE  86  -4.080  -3.381   1.324
  711   3HD1  ILE  86          3HD1      ILE  86  -5.459  -2.856   0.358
  712    H    CYS  87           H        CYS  87  -6.971  -4.148   5.457
  713    HA   CYS  87           HA       CYS  87  -9.699  -3.965   4.243
  714   1HB   CYS  87          2HB       CYS  87  -9.358  -4.642   6.730
  715   2HB   CYS  87          1HB       CYS  87  -8.944  -2.952   6.983
  716    H    ILE  88           H        ILE  88 -10.279  -2.004   3.353
  717    HA   ILE  88           HA       ILE  88  -8.808   0.427   4.149
  718    HB   ILE  88           HB       ILE  88  -7.357   0.130   2.408
  719   1HG1  ILE  88          2HG1      ILE  88  -9.642   0.750   0.544
  720   2HG1  ILE  88          1HG1      ILE  88  -9.098   1.947   1.713
  721   1HG2  ILE  88          1HG2      ILE  88  -7.695  -1.365   0.539
  722   2HG2  ILE  88          2HG2      ILE  88  -9.413  -1.496   0.898
  723   3HG2  ILE  88          3HG2      ILE  88  -8.228  -2.185   2.003
  724   1HD1  ILE  88          1HD1      ILE  88  -7.521   0.708  -0.542
  725   2HD1  ILE  88          2HD1      ILE  88  -6.730   1.529   0.802
  726   3HD1  ILE  88          3HD1      ILE  88  -7.837   2.417  -0.241
  727    H    THR  89           H        THR  89  -9.965   2.368   3.539
  728    HA   THR  89           HA       THR  89 -12.847   1.810   3.070
  729    HB   THR  89           HB       THR  89 -11.307   3.868   4.532
  730    HG1  THR  89           1HG      THR  89 -13.989   3.114   4.876
  731   1HG2  THR  89          1HG2      THR  89 -12.257   5.390   2.940
  732   2HG2  THR  89          2HG2      THR  89 -13.285   5.462   4.370
  733   3HG2  THR  89          3HG2      THR  89 -13.804   4.542   2.959
  734    H    CYS  90           H        CYS  90 -13.923   2.547   1.319
  735    HA   CYS  90           HA       CYS  90 -12.420   4.190  -0.684
  736   1HB   CYS  90          2HB       CYS  90 -14.472   2.000  -1.162
  737   2HB   CYS  90          1HB       CYS  90 -13.751   3.002  -2.422
  738    H    VAL  91           H        VAL  91 -14.167   5.230  -2.256
  739    HA   VAL  91           HA       VAL  91 -16.562   6.085  -0.708
  740    HB   VAL  91           HB       VAL  91 -14.708   7.971  -2.182
  741   1HG1  VAL  91          1HG1      VAL  91 -16.126   9.617  -0.734
  742   2HG1  VAL  91          2HG1      VAL  91 -17.270   8.281  -0.620
  743   3HG1  VAL  91          3HG1      VAL  91 -16.852   8.952  -2.195
  744   1HG2  VAL  91          1HG2      VAL  91 -15.040   7.375   0.770
  745   2HG2  VAL  91          2HG2      VAL  91 -14.183   8.782   0.143
  746   3HG2  VAL  91          3HG2      VAL  91 -13.583   7.160  -0.201
  747    H    ASN  92           H        ASN  92 -15.972   7.965  -3.403
  748    HA   ASN  92           HA       ASN  92 -18.206   6.866  -4.864
  749   1HB   ASN  92          2HB       ASN  92 -16.107   8.949  -5.474
  750   2HB   ASN  92          1HB       ASN  92 -17.274   8.447  -6.697
  751   1HD2  ASN  92          1HD2      ASN  92 -19.518   9.049  -6.390
  752   2HD2  ASN  92          2HD2      ASN  92 -19.998  10.145  -5.186
  753    H    GLN  93           H        GLN  93 -16.261   4.880  -4.360
  754    HA   GLN  93           HA       GLN  93 -15.393   3.045  -5.528
  755   1HB   GLN  93          2HB       GLN  93 -15.762   4.545  -8.126
  756   2HB   GLN  93          1HB       GLN  93 -15.707   2.806  -7.864
  757   1HG   GLN  93          2HG       GLN  93 -17.964   2.822  -7.763
  758   2HG   GLN  93          1HG       GLN  93 -17.830   3.696  -6.240
  759   1HE2  GLN  93          1HE2      GLN  93 -17.491   4.526  -9.749
  760   2HE2  GLN  93          2HE2      GLN  93 -18.420   5.943  -9.648
  761    H    LEU  94           H        LEU  94 -13.723   4.740  -4.344
  762    HA   LEU  94           HA       LEU  94 -11.331   4.624  -6.046
  763   1HB   LEU  94          2HB       LEU  94 -12.815   7.040  -5.849
  764   2HB   LEU  94          1HB       LEU  94 -11.392   7.256  -4.837
  765    HG   LEU  94           HG       LEU  94 -10.009   6.396  -6.797
  766   1HD1  LEU  94          1HD1      LEU  94 -11.482   5.320  -8.251
  767   2HD1  LEU  94          2HD1      LEU  94 -11.308   6.888  -9.033
  768   3HD1  LEU  94          3HD1      LEU  94 -12.736   6.546  -8.058
  769   1HD2  LEU  94          1HD2      LEU  94  -9.969   8.564  -7.879
  770   2HD2  LEU  94          2HD2      LEU  94 -10.294   8.820  -6.165
  771   3HD2  LEU  94          3HD2      LEU  94 -11.609   8.914  -7.335
  772    HA   PRO  95           HA       PRO  95 -10.494   3.462  -1.677
  773   1HB   PRO  95          2HB       PRO  95  -7.942   2.514  -2.849
  774   2HB   PRO  95          1HB       PRO  95  -9.143   1.626  -1.894
  775   1HG   PRO  95          2HG       PRO  95  -8.808   1.233  -4.533
  776   2HG   PRO  95          1HG       PRO  95 -10.370   1.043  -3.720
  777   1HD   PRO  95          2HD       PRO  95  -9.421   3.266  -5.479
  778   2HD   PRO  95          1HD       PRO  95 -11.059   2.606  -5.267
  779    H    ILE  96           H        ILE  96  -9.602   4.900  -0.216
  780    HA   ILE  96           HA       ILE  96  -7.088   6.297  -0.973
  781    HB   ILE  96           HB       ILE  96  -7.985   8.484  -0.332
  782   1HG1  ILE  96          2HG1      ILE  96 -10.593   8.556  -0.178
  783   2HG1  ILE  96          1HG1      ILE  96 -10.463   6.843   0.212
  784   1HG2  ILE  96          1HG2      ILE  96  -9.967   7.360  -2.292
  785   2HG2  ILE  96          2HG2      ILE  96  -8.257   7.418  -2.703
  786   3HG2  ILE  96          3HG2      ILE  96  -9.123   8.905  -2.329
  787   1HD1  ILE  96          1HD1      ILE  96  -9.666   7.261   2.294
  788   2HD1  ILE  96          2HD1      ILE  96 -10.315   8.879   2.050
  789   3HD1  ILE  96          3HD1      ILE  96  -8.609   8.558   1.745
  790    H    HIS  97           H        HIS  97  -8.880   4.666   1.436
  791    HA   HIS  97           HA       HIS  97  -7.095   5.900   3.518
  792   1HB   HIS  97          2HB       HIS  97  -9.976   5.354   3.511
  793   2HB   HIS  97          1HB       HIS  97  -9.162   4.673   4.917
  794    HD1  HIS  97           1HD      HIS  97  -7.036   6.761   5.492
  795    HD2  HIS  97           2HD      HIS  97 -10.949   7.771   4.458
  796    HE1  HIS  97           1HE      HIS  97  -7.425   9.109   6.362
  797    HE2  HIS  97           2HE      HIS  97  -9.804   9.733   5.738
  798    H    PHE  98           H        PHE  98  -5.595   4.549   4.296
  799    HA   PHE  98           HA       PHE  98  -5.840   1.642   3.799
  800   1HB   PHE  98          2HB       PHE  98  -3.690   3.301   3.662
  801   2HB   PHE  98          1HB       PHE  98  -3.521   2.743   5.323
  802    HD1  PHE  98           1HD      PHE  98  -4.729  -0.037   4.965
  803    HD2  PHE  98           2HD      PHE  98  -1.865   2.167   2.641
  804    HE1  PHE  98           1HE      PHE  98  -3.759  -2.163   4.142
  805    HE2  PHE  98           2HE      PHE  98  -0.896   0.038   1.818
  806    HZ   PHE  98           HZ       PHE  98  -1.843  -2.128   2.569
  807    H    ALA  99           H        ALA  99  -7.148   0.672   5.321
  808    HA   ALA  99           HA       ALA  99  -7.595   1.589   7.964
  809   1HB   ALA  99          1HB       ALA  99  -8.717  -0.448   8.326
  810   2HB   ALA  99          2HB       ALA  99  -7.635  -1.335   7.256
  811   3HB   ALA  99          3HB       ALA  99  -8.837  -0.237   6.579
  812    H    GLY 100           H        GLY 100  -5.891  -1.483   7.350
  813   1HA   GLY 100          2HA       GLY 100  -3.503  -0.632   8.786
  814   2HA   GLY 100          1HA       GLY 100  -4.534  -1.685   9.755
  815    H    VAL 101           H        VAL 101  -4.121  -3.827   9.561
  816    HA   VAL 101           HA       VAL 101  -3.053  -4.852   6.966
  817    HB   VAL 101           HB       VAL 101  -1.145  -4.589   8.491
  818   1HG1  VAL 101          1HG1      VAL 101  -1.087  -5.744  10.638
  819   2HG1  VAL 101          2HG1      VAL 101  -2.690  -6.419  10.352
  820   3HG1  VAL 101          3HG1      VAL 101  -2.495  -4.683  10.593
  821   1HG2  VAL 101          1HG2      VAL 101  -1.938  -7.511   8.394
  822   2HG2  VAL 101          2HG2      VAL 101  -0.308  -6.838   8.358
  823   3HG2  VAL 101          3HG2      VAL 101  -1.383  -6.620   6.977
  824    H    GLY 102           H        GLY 102  -3.436  -7.192   6.703
  825   1HA   GLY 102          2HA       GLY 102  -4.822  -9.080   6.820
  826   2HA   GLY 102          1HA       GLY 102  -4.952  -8.752   8.548
  827    H    SER 103           H        SER 103  -7.240  -9.427   8.287
  828    HA   SER 103           HA       SER 103  -9.003  -7.728   6.688
  829   1HB   SER 103          2HB       SER 103  -9.586 -10.078   7.027
  830   2HB   SER 103          1HB       SER 103  -9.596  -9.850   8.773
  831    HG   SER 103           HG       SER 103 -11.543  -9.385   6.987
  832    H    CYS 104           H        CYS 104 -11.141  -7.159   8.240
  833    HA   CYS 104           HA       CYS 104 -10.160  -5.725  10.655
  834   1HB   CYS 104          2HB       CYS 104 -11.378  -3.665   9.906
  835   2HB   CYS 104          1HB       CYS 104  -9.990  -4.058   8.891
  836    HA   PRO 105           HA       PRO 105 -14.410  -7.688  10.962
  837   1HB   PRO 105          2HB       PRO 105 -13.826  -9.572  12.839
  838   2HB   PRO 105          1HB       PRO 105 -13.595  -9.851  11.102
  839   1HG   PRO 105          2HG       PRO 105 -11.587  -9.156  13.189
  840   2HG   PRO 105          1HG       PRO 105 -11.453 -10.277  11.822
  841   1HD   PRO 105          2HD       PRO 105 -10.408  -7.721  11.813
  842   2HD   PRO 105          1HD       PRO 105 -10.872  -8.603  10.342
  Start of MODEL   12
    1    HN   PCA   1           H        PCA   1  -6.416   9.036   0.965
    2    HA   PCA   1           HA       PCA   1  -7.877  11.110   1.727
    3   1HB   PCA   1          1HB       PCA   1  -6.493  12.549   2.812
    4   2HB   PCA   1          2HB       PCA   1  -5.863  12.996   1.245
    5   1HG   PCA   1          1HG       PCA   1  -4.534  11.736   3.188
    6   2HG   PCA   1          2HG       PCA   1  -4.134  11.690   1.456
    7    H    ASP   2           H        ASP   2  -6.053   9.828  -0.740
    8    HA   ASP   2           HA       ASP   2  -7.779  10.945  -2.755
    9   1HB   ASP   2          2HB       ASP   2  -5.096  12.199  -2.297
   10   2HB   ASP   2          1HB       ASP   2  -5.619  11.969  -3.965
   11    H    TRP   3           H        TRP   3  -7.963   9.184  -4.044
   12    HA   TRP   3           HA       TRP   3  -6.436   6.889  -4.018
   13   1HB   TRP   3          2HB       TRP   3  -8.436   6.798  -5.247
   14   2HB   TRP   3          1HB       TRP   3  -8.004   8.193  -6.229
   15    HD1  TRP   3           HD       TRP   3  -7.718   7.400  -8.591
   16    HE1  TRP   3           1HE      TRP   3  -6.510   5.457  -9.774
   17    HE3  TRP   3           3HE      TRP   3  -6.044   4.768  -4.526
   18    HZ2  TRP   3           2HZ      TRP   3  -5.043   3.107  -9.100
   19    HZ3  TRP   3           3HZ      TRP   3  -4.753   2.682  -4.838
   20    HH2  TRP   3           HH       TRP   3  -4.250   1.848  -7.117
   21    H    GLU   4           H        GLU   4  -5.581   9.939  -5.469
   22    HA   GLU   4           HA       GLU   4  -3.507   8.965  -7.213
   23   1HB   GLU   4          2HB       GLU   4  -3.785  11.652  -5.826
   24   2HB   GLU   4          1HB       GLU   4  -2.677  11.302  -7.152
   25   1HG   GLU   4          2HG       GLU   4  -4.673  10.624  -8.536
   26   2HG   GLU   4          1HG       GLU   4  -5.703  11.221  -7.236
   27    H    THR   5           H        THR   5  -2.732  11.041  -4.436
   28    HA   THR   5           HA       THR   5  -0.178  10.009  -3.952
   29    HB   THR   5           HB       THR   5  -1.067  11.995  -2.803
   30    HG1  THR   5           1HG      THR   5  -0.149  11.526  -0.807
   31   1HG2  THR   5          1HG2      THR   5  -2.550  10.192  -0.913
   32   2HG2  THR   5          2HG2      THR   5  -3.332  10.746  -2.393
   33   3HG2  THR   5          3HG2      THR   5  -2.771  11.918  -1.201
   34    H    PHE   6           H        PHE   6  -3.244   8.955  -2.479
   35    HA   PHE   6           HA       PHE   6  -2.307   6.886  -0.847
   36   1HB   PHE   6          2HB       PHE   6  -4.726   7.710  -1.235
   37   2HB   PHE   6          1HB       PHE   6  -4.755   6.585  -2.589
   38    HD1  PHE   6           1HD      PHE   6  -4.243   6.835   1.089
   39    HD2  PHE   6           2HD      PHE   6  -5.015   4.247  -2.250
   40    HE1  PHE   6           1HE      PHE   6  -4.732   4.973   2.644
   41    HE2  PHE   6           2HE      PHE   6  -5.502   2.381  -0.695
   42    HZ   PHE   6           HZ       PHE   6  -5.366   2.744   1.752
   43    H    GLN   7           H        GLN   7  -2.516   7.070  -4.322
   44    HA   GLN   7           HA       GLN   7  -1.907   4.200  -4.647
   45   1HB   GLN   7          2HB       GLN   7  -3.427   5.096  -6.279
   46   2HB   GLN   7          1HB       GLN   7  -2.360   6.453  -6.620
   47   1HG   GLN   7          2HG       GLN   7  -0.739   5.039  -7.666
   48   2HG   GLN   7          1HG       GLN   7  -1.541   3.580  -7.082
   49   1HE2  GLN   7          1HE2      GLN   7  -2.957   6.503  -8.637
   50   2HE2  GLN   7          2HE2      GLN   7  -3.663   5.657  -9.929
   51    H    LYS   8           H        LYS   8  -0.239   7.221  -4.400
   52    HA   LYS   8           HA       LYS   8   2.147   6.199  -5.810
   53   1HB   LYS   8          2HB       LYS   8   1.829   8.787  -4.272
   54   2HB   LYS   8          1HB       LYS   8   3.071   8.397  -5.465
   55   1HG   LYS   8          2HG       LYS   8   1.011   7.967  -7.051
   56   2HG   LYS   8          1HG       LYS   8   0.152   8.977  -5.894
   57   1HD   LYS   8          2HD       LYS   8   1.746  10.793  -6.221
   58   2HD   LYS   8          1HD       LYS   8   2.720   9.782  -7.288
   59   1HE   LYS   8          2HE       LYS   8   1.029  11.462  -8.356
   60   2HE   LYS   8          1HE       LYS   8   1.120   9.825  -9.003
   61   1HZ   LYS   8          1HZ       LYS   8  -0.800   9.193  -7.840
   62   2HZ   LYS   8          2HZ       LYS   8  -1.171  10.708  -8.513
   63   3HZ   LYS   8          3HZ       LYS   8  -0.781  10.580  -6.864
   64    H    LYS   9           H        LYS   9   1.276   7.106  -2.443
   65    HA   LYS   9           HA       LYS   9   3.917   6.166  -1.532
   66   1HB   LYS   9          2HB       LYS   9   2.903   6.777   0.762
   67   2HB   LYS   9          1HB       LYS   9   3.214   8.087  -0.375
   68   1HG   LYS   9          2HG       LYS   9   0.929   8.286  -0.954
   69   2HG   LYS   9          1HG       LYS   9   0.529   6.712  -0.265
   70   1HD   LYS   9          2HD       LYS   9   1.071   7.584   1.996
   71   2HD   LYS   9          1HD       LYS   9   1.402   9.165   1.290
   72   1HE   LYS   9          2HE       LYS   9  -0.898   9.349   0.506
   73   2HE   LYS   9          1HE       LYS   9  -1.251   7.714   1.069
   74   1HZ   LYS   9          1HZ       LYS   9  -0.220   9.748   2.937
   75   2HZ   LYS   9          2HZ       LYS   9  -1.127   8.351   3.269
   76   3HZ   LYS   9          3HZ       LYS   9  -1.872   9.699   2.553
   77    H    HIS  10           H        HIS  10   0.503   5.121  -1.139
   78    HA   HIS  10           HA       HIS  10   1.379   2.835   0.493
   79   1HB   HIS  10          2HB       HIS  10  -1.361   3.424  -0.649
   80   2HB   HIS  10          1HB       HIS  10  -0.979   2.240   0.597
   81    HD1  HIS  10           1HD      HIS  10  -2.875   4.076   1.724
   82    HD2  HIS  10           2HD      HIS  10   1.136   5.192   1.476
   83    HE1  HIS  10           1HE      HIS  10  -2.546   5.945   3.405
   84    HE2  HIS  10           2HE      HIS  10  -0.107   6.630   3.262
   85    H    LEU  11           H        LEU  11   1.260   3.409  -2.843
   86    HA   LEU  11           HA       LEU  11   1.171   0.445  -3.332
   87   1HB   LEU  11          2HB       LEU  11  -0.337   2.641  -4.609
   88   2HB   LEU  11          1HB       LEU  11   0.425   1.539  -5.748
   89    HG   LEU  11           HG       LEU  11  -0.618  -0.364  -4.417
   90   1HD1  LEU  11          1HD1      LEU  11  -2.703   0.393  -3.139
   91   2HD1  LEU  11          2HD1      LEU  11  -2.009   2.014  -3.161
   92   3HD1  LEU  11          3HD1      LEU  11  -1.162   0.703  -2.350
   93   1HD2  LEU  11          1HD2      LEU  11  -2.948   0.155  -5.367
   94   2HD2  LEU  11          2HD2      LEU  11  -1.606   0.171  -6.510
   95   3HD2  LEU  11          3HD2      LEU  11  -2.263   1.690  -5.899
   96    H    THR  12           H        THR  12   2.578  -0.322  -4.983
   97    HA   THR  12           HA       THR  12   4.546   1.661  -6.041
   98    HB   THR  12           HB       THR  12   5.705   0.717  -4.163
   99    HG1  THR  12           1HG      THR  12   6.774  -1.008  -5.982
  100   1HG2  THR  12          1HG2      THR  12   5.169  -1.314  -3.348
  101   2HG2  THR  12          2HG2      THR  12   5.788  -2.073  -4.811
  102   3HG2  THR  12          3HG2      THR  12   4.099  -1.582  -4.721
  103    H    ASP  13           H        ASP  13   6.146  -0.039  -7.497
  104    HA   ASP  13           HA       ASP  13   4.178  -1.384  -9.317
  105   1HB   ASP  13          2HB       ASP  13   6.757   0.018 -10.074
  106   2HB   ASP  13          1HB       ASP  13   5.599  -0.715 -11.186
  107    H    THR  14           H        THR  14   6.242  -2.342  -7.081
  108    HA   THR  14           HA       THR  14   6.988  -4.740  -8.627
  109    HB   THR  14           HB       THR  14   8.883  -3.176  -9.008
  110    HG1  THR  14           1HG      THR  14  10.391  -4.694  -7.653
  111   1HG2  THR  14          1HG2      THR  14  10.244  -2.427  -7.154
  112   2HG2  THR  14          2HG2      THR  14   9.267  -3.346  -6.010
  113   3HG2  THR  14          3HG2      THR  14   8.576  -1.950  -6.837
  114    H    LYS  15           H        LYS  15   7.553  -6.524  -7.262
  115    HA   LYS  15           HA       LYS  15   6.292  -6.448  -4.649
  116   1HB   LYS  15          2HB       LYS  15   8.077  -8.601  -5.826
  117   2HB   LYS  15          1HB       LYS  15   6.935  -8.791  -4.497
  118   1HG   LYS  15          2HG       LYS  15   5.057  -8.374  -5.960
  119   2HG   LYS  15          1HG       LYS  15   6.130  -7.939  -7.291
  120   1HD   LYS  15          2HD       LYS  15   7.033 -10.222  -7.337
  121   2HD   LYS  15          1HD       LYS  15   6.007 -10.668  -5.972
  122   1HE   LYS  15          2HE       LYS  15   3.999 -10.133  -7.325
  123   2HE   LYS  15          1HE       LYS  15   5.039  -9.744  -8.694
  124   1HZ   LYS  15          1HZ       LYS  15   5.330 -12.351  -7.374
  125   2HZ   LYS  15          2HZ       LYS  15   5.627 -11.920  -8.991
  126   3HZ   LYS  15          3HZ       LYS  15   4.031 -12.113  -8.440
  127    H    LYS  16           H        LYS  16   9.483  -5.904  -5.851
  128    HA   LYS  16           HA       LYS  16  10.544  -5.894  -3.048
  129   1HB   LYS  16          2HB       LYS  16  12.802  -6.178  -4.158
  130   2HB   LYS  16          1HB       LYS  16  11.729  -7.569  -4.312
  131   1HG   LYS  16          2HG       LYS  16  10.995  -6.521  -6.558
  132   2HG   LYS  16          1HG       LYS  16  12.427  -5.503  -6.403
  133   1HD   LYS  16          2HD       LYS  16  13.740  -7.675  -6.039
  134   2HD   LYS  16          1HD       LYS  16  12.297  -8.513  -6.612
  135   1HE   LYS  16          2HE       LYS  16  12.374  -7.266  -8.718
  136   2HE   LYS  16          1HE       LYS  16  13.769  -6.351  -8.146
  137   1HZ   LYS  16          1HZ       LYS  16  15.130  -8.005  -8.676
  138   2HZ   LYS  16          2HZ       LYS  16  13.833  -8.716  -9.512
  139   3HZ   LYS  16          3HZ       LYS  16  14.162  -9.167  -7.908
  140    H    VAL  17           H        VAL  17   9.387  -3.652  -3.320
  141    HA   VAL  17           HA       VAL  17  10.356  -1.598  -4.965
  142    HB   VAL  17           HB       VAL  17   9.650  -0.032  -3.205
  143   1HG1  VAL  17          1HG1      VAL  17   7.369  -0.626  -3.210
  144   2HG1  VAL  17          2HG1      VAL  17   7.736  -2.350  -3.183
  145   3HG1  VAL  17          3HG1      VAL  17   8.023  -1.413  -4.645
  146   1HG2  VAL  17          1HG2      VAL  17   8.741  -1.118  -1.065
  147   2HG2  VAL  17          2HG2      VAL  17  10.497  -1.044  -1.214
  148   3HG2  VAL  17          3HG2      VAL  17   9.647  -2.556  -1.535
  149    H    LYS  18           H        LYS  18  11.685   0.294  -4.143
  150    HA   LYS  18           HA       LYS  18  14.226  -0.787  -3.048
  151   1HB   LYS  18          2HB       LYS  18  15.069   1.546  -3.795
  152   2HB   LYS  18          1HB       LYS  18  14.641   0.400  -5.066
  153   1HG   LYS  18          2HG       LYS  18  12.430   1.433  -5.294
  154   2HG   LYS  18          1HG       LYS  18  12.791   2.539  -3.970
  155   1HD   LYS  18          2HD       LYS  18  13.267   3.840  -5.868
  156   2HD   LYS  18          1HD       LYS  18  14.854   3.226  -5.410
  157   1HE   LYS  18          2HE       LYS  18  14.758   1.504  -7.096
  158   2HE   LYS  18          1HE       LYS  18  13.069   1.870  -7.449
  159   1HZ   LYS  18          1HZ       LYS  18  13.661   3.958  -8.340
  160   2HZ   LYS  18          2HZ       LYS  18  14.726   2.829  -9.031
  161   3HZ   LYS  18          3HZ       LYS  18  15.255   3.842  -7.775
  162    H    CYS  19           H        CYS  19  12.825  -0.817  -0.983
  163    HA   CYS  19           HA       CYS  19  11.772   1.180   0.474
  164   1HB   CYS  19          2HB       CYS  19  13.791  -0.877   1.351
  165   2HB   CYS  19          1HB       CYS  19  13.038   0.226   2.501
  166    H    ASP  20           H        ASP  20  15.252   0.908  -0.184
  167    HA   ASP  20           HA       ASP  20  16.288   2.846   1.535
  168   1HB   ASP  20          2HB       ASP  20  17.754   1.586   0.071
  169   2HB   ASP  20          1HB       ASP  20  17.008   2.299  -1.359
  170    H    VAL  21           H        VAL  21  14.613   3.321  -1.544
  171    HA   VAL  21           HA       VAL  21  14.615   6.264  -1.059
  172    HB   VAL  21           HB       VAL  21  13.568   5.016  -3.573
  173   1HG1  VAL  21          1HG1      VAL  21  15.352   7.428  -3.233
  174   2HG1  VAL  21          2HG1      VAL  21  13.611   7.530  -2.974
  175   3HG1  VAL  21          3HG1      VAL  21  14.241   7.065  -4.553
  176   1HG2  VAL  21          1HG2      VAL  21  15.935   5.077  -4.466
  177   2HG2  VAL  21          2HG2      VAL  21  15.634   3.801  -3.286
  178   3HG2  VAL  21          3HG2      VAL  21  16.487   5.266  -2.802
  179    H    GLU  22           H        GLU  22  12.542   3.434  -1.516
  180    HA   GLU  22           HA       GLU  22  10.033   4.740  -1.705
  181   1HB   GLU  22          2HB       GLU  22  10.913   2.091  -1.439
  182   2HB   GLU  22          1HB       GLU  22   9.908   2.362  -0.015
  183   1HG   GLU  22          2HG       GLU  22   8.431   1.595  -1.735
  184   2HG   GLU  22          1HG       GLU  22   8.156   3.332  -1.593
  185    H    MET  23           H        MET  23  12.319   4.928   0.691
  186    HA   MET  23           HA       MET  23  10.306   5.884   2.693
  187   1HB   MET  23          2HB       MET  23  12.863   4.325   3.164
  188   2HB   MET  23          1HB       MET  23  11.980   5.152   4.444
  189   1HG   MET  23          2HG       MET  23   9.923   3.792   3.529
  190   2HG   MET  23          1HG       MET  23  11.164   2.753   2.830
  191   1HE   MET  23          1HE       MET  23   9.974   3.573   7.080
  192   2HE   MET  23          2HE       MET  23   9.853   4.614   5.664
  193   3HE   MET  23          3HE       MET  23  11.327   4.619   6.628
  194    H    ALA  24           H        ALA  24  13.720   6.070   1.645
  195    HA   ALA  24           HA       ALA  24  14.240   8.521   3.071
  196   1HB   ALA  24          1HB       ALA  24  15.675   7.509   0.602
  197   2HB   ALA  24          2HB       ALA  24  15.989   6.899   2.226
  198   3HB   ALA  24          3HB       ALA  24  16.312   8.590   1.840
  199    H    LYS  25           H        LYS  25  12.072   8.037   0.723
  200    HA   LYS  25           HA       LYS  25  12.510   9.944  -1.302
  201   1HB   LYS  25          2HB       LYS  25  10.100   8.776   0.020
  202   2HB   LYS  25          1HB       LYS  25   9.844  10.223  -0.947
  203   1HG   LYS  25          2HG       LYS  25  10.240   9.144  -2.916
  204   2HG   LYS  25          1HG       LYS  25  11.544   8.171  -2.241
  205   1HD   LYS  25          2HD       LYS  25   9.759   6.663  -2.764
  206   2HD   LYS  25          1HD       LYS  25   9.771   6.840  -1.009
  207   1HE   LYS  25          2HE       LYS  25   7.477   7.026  -1.751
  208   2HE   LYS  25          1HE       LYS  25   8.018   8.630  -1.255
  209   1HZ   LYS  25          1HZ       LYS  25   7.772   7.578  -4.015
  210   2HZ   LYS  25          2HZ       LYS  25   8.586   9.022  -3.641
  211   3HZ   LYS  25          3HZ       LYS  25   6.925   8.873  -3.320
  212    H    ALA  26           H        ALA  26  10.540  11.884  -1.133
  213    HA   ALA  26           HA       ALA  26  11.614  13.649   1.018
  214   1HB   ALA  26          1HB       ALA  26  11.777  14.388  -1.388
  215   2HB   ALA  26          2HB       ALA  26  10.885  15.505  -0.353
  216   3HB   ALA  26          3HB       ALA  26  10.013  14.421  -1.438
  217    H    LEU  27           H        LEU  27   8.834  11.862   0.095
  218    HA   LEU  27           HA       LEU  27   7.035  13.588   1.725
  219   1HB   LEU  27          2HB       LEU  27   5.209  12.355   0.789
  220   2HB   LEU  27          1HB       LEU  27   6.312  12.706  -0.537
  221    HG   LEU  27           HG       LEU  27   7.300  10.295   0.352
  222   1HD1  LEU  27          1HD1      LEU  27   4.288  10.292   0.724
  223   2HD1  LEU  27          2HD1      LEU  27   5.512   9.867   1.920
  224   3HD1  LEU  27          3HD1      LEU  27   5.245   8.826   0.524
  225   1HD2  LEU  27          1HD2      LEU  27   6.986  10.644  -1.966
  226   2HD2  LEU  27          2HD2      LEU  27   5.272  11.011  -1.770
  227   3HD2  LEU  27          3HD2      LEU  27   5.845   9.353  -1.587
  228    H    PHE  28           H        PHE  28   9.149  11.096   2.222
  229    HA   PHE  28           HA       PHE  28   7.511   9.967   4.469
  230   1HB   PHE  28          2HB       PHE  28   9.569   8.764   2.645
  231   2HB   PHE  28          1HB       PHE  28   9.429   8.139   4.287
  232    HD1  PHE  28           1HD      PHE  28   8.288   7.695   1.015
  233    HD2  PHE  28           2HD      PHE  28   6.847   7.821   5.061
  234    HE1  PHE  28           1HE      PHE  28   6.303   6.366   0.352
  235    HE2  PHE  28           2HE      PHE  28   4.862   6.493   4.395
  236    HZ   PHE  28           HZ       PHE  28   4.590   5.765   2.041
  237    H    ASP  29           H        ASP  29  10.762  11.056   3.511
  238    HA   ASP  29           HA       ASP  29  12.343  12.233   4.803
  239   1HB   ASP  29          2HB       ASP  29  10.111  12.881   6.124
  240   2HB   ASP  29          1HB       ASP  29  10.815  11.823   7.346
  241    H    CYS  30           H        CYS  30  12.535   9.460   4.290
  242    HA   CYS  30           HA       CYS  30  13.553   7.486   5.089
  243   1HB   CYS  30          2HB       CYS  30  15.468   9.024   4.997
  244   2HB   CYS  30          1HB       CYS  30  15.096   9.602   6.621
  245    H    LYS  31           H        LYS  31  11.246   7.486   6.343
  246    HA   LYS  31           HA       LYS  31  11.258   7.868   9.175
  247   1HB   LYS  31          2HB       LYS  31   9.571   5.718   7.945
  248   2HB   LYS  31          1HB       LYS  31   9.140   6.925   9.152
  249   1HG   LYS  31          2HG       LYS  31   9.833   8.394   6.832
  250   2HG   LYS  31          1HG       LYS  31   8.847   7.052   6.264
  251   1HD   LYS  31          2HD       LYS  31   8.075   8.880   8.551
  252   2HD   LYS  31          1HD       LYS  31   7.535   9.097   6.887
  253   1HE   LYS  31          2HE       LYS  31   6.731   6.622   7.067
  254   2HE   LYS  31          1HE       LYS  31   6.864   6.873   8.808
  255   1HZ   LYS  31          1HZ       LYS  31   5.564   9.083   8.028
  256   2HZ   LYS  31          2HZ       LYS  31   4.803   7.675   8.600
  257   3HZ   LYS  31          3HZ       LYS  31   4.951   7.946   6.929
  258    H    LYS  32           H        LYS  32  10.193   5.046   9.668
  259    HA   LYS  32           HA       LYS  32  12.814   3.600   9.769
  260   1HB   LYS  32          2HB       LYS  32  12.242   2.815  12.028
  261   2HB   LYS  32          1HB       LYS  32  12.298   4.578  11.988
  262   1HG   LYS  32          2HG       LYS  32   9.802   4.567  11.620
  263   2HG   LYS  32          1HG       LYS  32   9.826   2.828  11.911
  264   1HD   LYS  32          2HD       LYS  32  10.830   4.925  13.860
  265   2HD   LYS  32          1HD       LYS  32   9.270   4.110  13.969
  266   1HE   LYS  32          2HE       LYS  32  10.687   1.914  13.880
  267   2HE   LYS  32          1HE       LYS  32  12.027   2.962  14.346
  268   1HZ   LYS  32          1HZ       LYS  32  11.076   2.150  16.327
  269   2HZ   LYS  32          2HZ       LYS  32   9.495   2.495  15.811
  270   3HZ   LYS  32          3HZ       LYS  32  10.562   3.761  16.192
  271    H    THR  33           H        THR  33   9.331   3.488   9.470
  272    HA   THR  33           HA       THR  33   9.565   0.669   8.516
  273    HB   THR  33           HB       THR  33   7.244   1.648  10.195
  274    HG1  THR  33           1HG      THR  33   8.603  -0.055  11.575
  275   1HG2  THR  33          1HG2      THR  33   6.713  -0.707  10.355
  276   2HG2  THR  33          2HG2      THR  33   8.218  -1.146   9.547
  277   3HG2  THR  33          3HG2      THR  33   6.946  -0.315   8.652
  278    H    ASN  34           H        ASN  34   8.070   0.168   6.822
  279    HA   ASN  34           HA       ASN  34   6.135   2.215   5.983
  280   1HB   ASN  34          2HB       ASN  34   8.525   2.785   5.082
  281   2HB   ASN  34          1HB       ASN  34   8.232   1.454   3.964
  282   1HD2  ASN  34          1HD2      ASN  34   5.708   1.661   3.104
  283   2HD2  ASN  34          2HD2      ASN  34   5.350   3.200   2.481
  284    H    THR  35           H        THR  35   4.653   1.408   4.424
  285    HA   THR  35           HA       THR  35   5.009  -1.413   3.561
  286    HB   THR  35           HB       THR  35   3.533  -0.952   5.763
  287    HG1  THR  35           1HG      THR  35   3.828  -2.984   4.994
  288   1HG2  THR  35          1HG2      THR  35   1.226  -0.632   5.303
  289   2HG2  THR  35          2HG2      THR  35   1.457  -0.868   3.570
  290   3HG2  THR  35          3HG2      THR  35   2.051   0.601   4.348
  291    H    PHE  36           H        PHE  36   3.692  -1.961   1.714
  292    HA   PHE  36           HA       PHE  36   2.118   0.198   0.454
  293   1HB   PHE  36          2HB       PHE  36   4.141  -0.979  -1.385
  294   2HB   PHE  36          1HB       PHE  36   3.457   0.638  -1.366
  295    HD1  PHE  36           1HD      PHE  36   4.849   2.391  -0.729
  296    HD2  PHE  36           2HD      PHE  36   5.642  -1.553   0.753
  297    HE1  PHE  36           1HE      PHE  36   6.902   3.222   0.382
  298    HE2  PHE  36           2HE      PHE  36   7.692  -0.728   1.868
  299    HZ   PHE  36           HZ       PHE  36   8.327   1.661   1.675
  300    H    ILE  37           H        ILE  37   1.355  -0.769  -1.840
  301    HA   ILE  37           HA       ILE  37   0.794  -3.680  -1.416
  302    HB   ILE  37           HB       ILE  37  -1.060  -1.583  -2.567
  303   1HG1  ILE  37          2HG1      ILE  37  -1.708  -3.086  -0.068
  304   2HG1  ILE  37          1HG1      ILE  37  -0.474  -1.840   0.071
  305   1HG2  ILE  37          1HG2      ILE  37  -1.308  -4.557  -2.090
  306   2HG2  ILE  37          2HG2      ILE  37  -1.553  -3.672  -3.597
  307   3HG2  ILE  37          3HG2      ILE  37  -2.719  -3.516  -2.282
  308   1HD1  ILE  37          1HD1      ILE  37  -3.062  -1.271   0.364
  309   2HD1  ILE  37          2HD1      ILE  37  -2.984  -1.135  -1.392
  310   3HD1  ILE  37          3HD1      ILE  37  -1.947  -0.127  -0.380
  311    H    TYR  38           H        TYR  38   1.258  -4.989  -3.126
  312    HA   TYR  38           HA       TYR  38   2.248  -3.665  -5.604
  313   1HB   TYR  38          2HB       TYR  38   3.679  -5.401  -4.608
  314   2HB   TYR  38          1HB       TYR  38   2.358  -6.564  -4.715
  315    HD1  TYR  38           1HD      TYR  38   4.098  -4.096  -6.951
  316    HD2  TYR  38           2HD      TYR  38   2.392  -8.016  -6.534
  317    HE1  TYR  38           1HE      TYR  38   4.745  -4.626  -9.286
  318    HE2  TYR  38           2HE      TYR  38   3.040  -8.546  -8.868
  319    HH   TYR  38           HH       TYR  38   5.254  -6.912 -10.576
  320    H    ALA  39           H        ALA  39   0.391  -3.122  -6.776
  321    HA   ALA  39           HA       ALA  39  -1.036  -5.366  -8.012
  322   1HB   ALA  39          1HB       ALA  39  -2.333  -5.061  -5.939
  323   2HB   ALA  39          2HB       ALA  39  -3.281  -4.571  -7.343
  324   3HB   ALA  39          3HB       ALA  39  -2.537  -3.349  -6.312
  325    H    LEU  40           H        LEU  40  -2.283  -4.668  -9.867
  326    HA   LEU  40           HA       LEU  40  -1.209  -2.225 -11.067
  327   1HB   LEU  40          2HB       LEU  40  -1.838  -3.138 -13.083
  328   2HB   LEU  40          1HB       LEU  40  -1.790  -4.610 -12.124
  329    HG   LEU  40           HG       LEU  40  -4.339  -3.898 -11.625
  330   1HD1  LEU  40          1HD1      LEU  40  -3.918  -2.975 -14.470
  331   2HD1  LEU  40          2HD1      LEU  40  -3.936  -1.845 -13.121
  332   3HD1  LEU  40          3HD1      LEU  40  -5.362  -2.814 -13.476
  333   1HD2  LEU  40          1HD2      LEU  40  -4.982  -5.413 -13.481
  334   2HD2  LEU  40          2HD2      LEU  40  -3.604  -6.045 -12.579
  335   3HD2  LEU  40          3HD2      LEU  40  -3.354  -5.275 -14.145
  336    HA   PRO  41           HA       PRO  41  -4.381   0.581  -9.903
  337   1HB   PRO  41          2HB       PRO  41  -4.794   1.917 -12.331
  338   2HB   PRO  41          1HB       PRO  41  -3.536   2.297 -11.142
  339   1HG   PRO  41          2HG       PRO  41  -3.350   0.721 -13.655
  340   2HG   PRO  41          1HG       PRO  41  -2.171   1.818 -12.917
  341   1HD   PRO  41          2HD       PRO  41  -1.885  -0.864 -12.773
  342   2HD   PRO  41          1HD       PRO  41  -1.383   0.197 -11.437
  343    H    GLY  42           H        GLY  42  -5.152  -0.585 -13.224
  344   1HA   GLY  42          2HA       GLY  42  -7.912  -0.233 -13.155
  345   2HA   GLY  42          1HA       GLY  42  -7.148  -1.565 -14.016
  346    H    ARG  43           H        ARG  43  -6.107  -3.042 -11.899
  347    HA   ARG  43           HA       ARG  43  -8.417  -4.469 -10.984
  348   1HB   ARG  43          2HB       ARG  43  -6.092  -5.419 -11.341
  349   2HB   ARG  43          1HB       ARG  43  -5.630  -4.646  -9.824
  350   1HG   ARG  43          2HG       ARG  43  -7.491  -5.874  -8.687
  351   2HG   ARG  43          1HG       ARG  43  -7.803  -6.726 -10.201
  352   1HD   ARG  43          2HD       ARG  43  -5.174  -6.756  -8.689
  353   2HD   ARG  43          1HD       ARG  43  -6.360  -8.060  -8.695
  354    HE   ARG  43           HE       ARG  43  -5.531  -7.322 -11.381
  355   1HH1  ARG  43          1HH2      ARG  43  -4.759  -9.085  -8.521
  356   2HH1  ARG  43          2HH2      ARG  43  -3.789 -10.258  -9.346
  357   1HH2  ARG  43          1HH1      ARG  43  -4.268  -8.844 -12.476
  358   2HH2  ARG  43          2HH1      ARG  43  -3.511 -10.122 -11.586
  359    H    VAL  44           H        VAL  44  -6.370  -1.991  -9.513
  360    HA   VAL  44           HA       VAL  44  -7.447  -2.326  -6.843
  361    HB   VAL  44           HB       VAL  44  -5.962  -0.036  -8.161
  362   1HG1  VAL  44          1HG1      VAL  44  -6.982  -0.424  -5.347
  363   2HG1  VAL  44          2HG1      VAL  44  -7.126   0.996  -6.382
  364   3HG1  VAL  44          3HG1      VAL  44  -5.568   0.578  -5.672
  365   1HG2  VAL  44          1HG2      VAL  44  -4.970  -1.919  -6.019
  366   2HG2  VAL  44          2HG2      VAL  44  -4.029  -0.923  -7.129
  367   3HG2  VAL  44          3HG2      VAL  44  -4.870  -2.352  -7.726
  368    H    LYS  45           H        LYS  45  -7.934   0.243  -9.298
  369    HA   LYS  45           HA       LYS  45 -10.140   1.439  -7.886
  370   1HB   LYS  45          2HB       LYS  45 -10.536   2.690  -9.936
  371   2HB   LYS  45          1HB       LYS  45  -8.795   2.587  -9.672
  372   1HG   LYS  45          2HG       LYS  45  -8.855   0.499 -11.164
  373   2HG   LYS  45          1HG       LYS  45 -10.479   1.010 -11.622
  374   1HD   LYS  45          2HD       LYS  45  -7.924   2.606 -11.960
  375   2HD   LYS  45          1HD       LYS  45  -8.897   1.894 -13.247
  376   1HE   LYS  45          2HE       LYS  45 -10.837   3.321 -12.315
  377   2HE   LYS  45          1HE       LYS  45  -9.591   4.211 -11.441
  378   1HZ   LYS  45          1HZ       LYS  45  -9.727   3.811 -14.380
  379   2HZ   LYS  45          2HZ       LYS  45  -8.467   4.605 -13.562
  380   3HZ   LYS  45          3HZ       LYS  45 -10.036   5.257 -13.549
  381    H    ALA  46           H        ALA  46  -9.837  -1.349  -9.876
  382    HA   ALA  46           HA       ALA  46 -12.548  -1.522 -10.830
  383   1HB   ALA  46          1HB       ALA  46 -11.030  -2.924 -11.958
  384   2HB   ALA  46          2HB       ALA  46 -11.896  -4.054 -10.920
  385   3HB   ALA  46          3HB       ALA  46 -10.295  -3.483 -10.456
  386    H    LEU  47           H        LEU  47 -10.890  -3.042  -8.041
  387    HA   LEU  47           HA       LEU  47 -13.155  -4.389  -6.992
  388   1HB   LEU  47          2HB       LEU  47 -10.845  -3.137  -5.474
  389   2HB   LEU  47          1HB       LEU  47 -11.944  -4.359  -4.837
  390    HG   LEU  47           HG       LEU  47 -10.417  -4.869  -7.386
  391   1HD1  LEU  47          1HD1      LEU  47  -8.751  -4.201  -5.690
  392   2HD1  LEU  47          2HD1      LEU  47  -8.637  -5.923  -6.048
  393   3HD1  LEU  47          3HD1      LEU  47  -9.425  -5.381  -4.566
  394   1HD2  LEU  47          1HD2      LEU  47 -11.608  -6.597  -5.194
  395   2HD2  LEU  47          2HD2      LEU  47 -10.625  -7.230  -6.513
  396   3HD2  LEU  47          3HD2      LEU  47 -12.171  -6.456  -6.858
  397    H    CYS  48           H        CYS  48 -12.398  -1.019  -7.079
  398    HA   CYS  48           HA       CYS  48 -14.388  -0.398  -4.959
  399   1HB   CYS  48          2HB       CYS  48 -12.193   1.097  -6.332
  400   2HB   CYS  48          1HB       CYS  48 -13.569   2.037  -5.760
  401    H    LYS  49           H        LYS  49 -15.474  -1.602  -7.275
  402    HA   LYS  49           HA       LYS  49 -16.713   0.692  -8.730
  403   1HB   LYS  49          2HB       LYS  49 -15.874  -0.670 -10.401
  404   2HB   LYS  49          1HB       LYS  49 -16.042  -2.135  -9.438
  405   1HG   LYS  49          2HG       LYS  49 -18.362  -2.291  -9.865
  406   2HG   LYS  49          1HG       LYS  49 -18.453  -0.623 -10.434
  407   1HD   LYS  49          2HD       LYS  49 -17.248  -1.150 -12.442
  408   2HD   LYS  49          1HD       LYS  49 -16.823  -2.752 -11.838
  409   1HE   LYS  49          2HE       LYS  49 -19.105  -3.496 -11.963
  410   2HE   LYS  49          1HE       LYS  49 -19.683  -1.859 -12.277
  411   1HZ   LYS  49          1HZ       LYS  49 -18.024  -3.553 -14.059
  412   2HZ   LYS  49          2HZ       LYS  49 -18.318  -1.903 -14.338
  413   3HZ   LYS  49          3HZ       LYS  49 -19.606  -3.010 -14.335
  414    H    ASN  50           H        ASN  50 -18.966   0.797  -8.907
  415    HA   ASN  50           HA       ASN  50 -21.147   0.658  -8.096
  416   1HB   ASN  50          2HB       ASN  50 -22.138  -1.445  -8.340
  417   2HB   ASN  50          1HB       ASN  50 -20.707  -1.578  -9.360
  418   1HD2  ASN  50          1HD2      ASN  50 -21.889  -2.355  -6.055
  419   2HD2  ASN  50          2HD2      ASN  50 -20.846  -3.676  -5.828
  420    H    ILE  51           H        ILE  51 -18.734   0.550  -6.008
  421    HA   ILE  51           HA       ILE  51 -20.084  -0.734  -3.748
  422    HB   ILE  51           HB       ILE  51 -18.169   0.476  -2.482
  423   1HG1  ILE  51          2HG1      ILE  51 -17.011   0.661  -5.257
  424   2HG1  ILE  51          1HG1      ILE  51 -17.801   2.038  -4.489
  425   1HG2  ILE  51          1HG2      ILE  51 -16.506  -1.215  -3.406
  426   2HG2  ILE  51          2HG2      ILE  51 -17.755  -1.661  -4.568
  427   3HG2  ILE  51          3HG2      ILE  51 -18.040  -1.875  -2.841
  428   1HD1  ILE  51          1HD1      ILE  51 -16.167   2.241  -2.852
  429   2HD1  ILE  51          2HD1      ILE  51 -15.194   1.661  -4.201
  430   3HD1  ILE  51          3HD1      ILE  51 -15.710   0.541  -2.945
  431    H    ARG  52           H        ARG  52 -19.599   1.189  -1.714
  432    HA   ARG  52           HA       ARG  52 -21.549   3.333  -2.492
  433   1HB   ARG  52          2HB       ARG  52 -21.187   1.915   0.163
  434   2HB   ARG  52          1HB       ARG  52 -22.261   3.290  -0.098
  435   1HG   ARG  52          2HG       ARG  52 -23.320   1.898  -1.980
  436   2HG   ARG  52          1HG       ARG  52 -22.450   0.524  -1.299
  437   1HD   ARG  52          2HD       ARG  52 -24.608   0.492  -0.275
  438   2HD   ARG  52          1HD       ARG  52 -23.511   1.143   0.943
  439    HE   ARG  52           HE       ARG  52 -24.707   3.166   0.826
  440   1HH1  ARG  52          1HH2      ARG  52 -25.174   1.236  -1.992
  441   2HH1  ARG  52          2HH2      ARG  52 -26.355   2.298  -2.685
  442   1HH2  ARG  52          1HH1      ARG  52 -26.245   4.563  -0.063
  443   2HH2  ARG  52          2HH1      ARG  52 -26.961   4.180  -1.593
  444    H    ASP  53           H        ASP  53 -21.361   4.920  -0.261
  445    HA   ASP  53           HA       ASP  53 -19.082   6.537  -0.760
  446   1HB   ASP  53          2HB       ASP  53 -19.717   7.758   1.231
  447   2HB   ASP  53          1HB       ASP  53 -21.187   7.276   0.386
  448    H    ASN  54           H        ASN  54 -18.304   6.980   1.997
  449    HA   ASN  54           HA       ASN  54 -15.961   5.348   2.063
  450   1HB   ASN  54          2HB       ASN  54 -17.152   6.787   4.443
  451   2HB   ASN  54          1HB       ASN  54 -15.453   6.423   4.141
  452   1HD2  ASN  54          1HD2      ASN  54 -17.980   8.735   3.566
  453   2HD2  ASN  54          2HD2      ASN  54 -17.089   9.771   2.559
  454    H    THR  55           H        THR  55 -16.120   3.191   2.321
  455    HA   THR  55           HA       THR  55 -17.522   2.172   4.745
  456    HB   THR  55           HB       THR  55 -17.792   0.205   2.683
  457    HG1  THR  55           1HG      THR  55 -19.042   2.615   1.944
  458   1HG2  THR  55          1HG2      THR  55 -19.886   2.021   3.910
  459   2HG2  THR  55          2HG2      THR  55 -19.253   0.564   4.676
  460   3HG2  THR  55          3HG2      THR  55 -20.165   0.444   3.171
  461    H    ASP  56           H        ASP  56 -16.515   0.299   5.622
  462    HA   ASP  56           HA       ASP  56 -13.688   0.039   4.952
  463   1HB   ASP  56          2HB       ASP  56 -15.360  -1.613   6.868
  464   2HB   ASP  56          1HB       ASP  56 -13.599  -1.511   6.831
  465    H    VAL  57           H        VAL  57 -12.995  -1.232   3.316
  466    HA   VAL  57           HA       VAL  57 -14.662  -3.581   2.524
  467    HB   VAL  57           HB       VAL  57 -13.838  -3.357   0.356
  468   1HG1  VAL  57          1HG1      VAL  57 -14.100  -1.059  -0.246
  469   2HG1  VAL  57          2HG1      VAL  57 -13.530  -0.510   1.331
  470   3HG1  VAL  57          3HG1      VAL  57 -15.100  -1.301   1.187
  471   1HG2  VAL  57          1HG2      VAL  57 -11.448  -2.079   1.684
  472   2HG2  VAL  57          2HG2      VAL  57 -11.729  -1.881  -0.045
  473   3HG2  VAL  57          3HG2      VAL  57 -11.496  -3.492   0.631
  474    H    LEU  58           H        LEU  58 -13.380  -5.533   1.842
  475    HA   LEU  58           HA       LEU  58 -10.793  -5.811   3.299
  476   1HB   LEU  58          2HB       LEU  58 -13.181  -6.762   4.320
  477   2HB   LEU  58          1HB       LEU  58 -12.579  -8.166   3.449
  478    HG   LEU  58           HG       LEU  58 -11.820  -8.166   5.795
  479   1HD1  LEU  58          1HD1      LEU  58  -9.418  -8.468   5.356
  480   2HD1  LEU  58          2HD1      LEU  58  -9.588  -7.637   3.811
  481   3HD1  LEU  58          3HD1      LEU  58 -10.392  -9.185   4.075
  482   1HD2  LEU  58          1HD2      LEU  58 -10.948  -6.352   6.827
  483   2HD2  LEU  58          2HD2      LEU  58 -11.567  -5.425   5.462
  484   3HD2  LEU  58          3HD2      LEU  58  -9.892  -5.977   5.469
  485    H    SER  59           H        SER  59  -9.283  -6.983   2.081
  486    HA   SER  59           HA       SER  59  -9.814  -7.601  -0.627
  487   1HB   SER  59          2HB       SER  59  -7.555  -7.691  -0.445
  488   2HB   SER  59          1HB       SER  59  -7.624  -8.132   1.253
  489    HG   SER  59           HG       SER  59  -6.894  -9.938   0.327
  490    H    ARG  60           H        ARG  60 -10.111  -9.682  -1.684
  491    HA   ARG  60           HA       ARG  60 -12.017 -11.342  -0.211
  492   1HB   ARG  60          2HB       ARG  60 -10.942 -11.676  -3.023
  493   2HB   ARG  60          1HB       ARG  60 -12.369 -12.462  -2.347
  494   1HG   ARG  60          2HG       ARG  60 -13.383 -10.216  -1.966
  495   2HG   ARG  60          1HG       ARG  60 -11.985  -9.482  -2.754
  496   1HD   ARG  60          2HD       ARG  60 -12.506 -10.974  -4.762
  497   2HD   ARG  60          1HD       ARG  60 -14.045 -11.326  -3.978
  498    HE   ARG  60           HE       ARG  60 -13.965  -8.570  -3.982
  499   1HH1  ARG  60          1HH2      ARG  60 -13.506 -11.053  -6.329
  500   2HH1  ARG  60          2HH2      ARG  60 -14.095 -10.099  -7.649
  501   1HH2  ARG  60          1HH1      ARG  60 -14.737  -7.310  -5.691
  502   2HH2  ARG  60          2HH1      ARG  60 -14.792  -7.979  -7.287
  503    H    ASP  61           H        ASP  61  -8.719 -11.397  -0.189
  504    HA   ASP  61           HA       ASP  61  -8.617 -14.047   0.901
  505   1HB   ASP  61          2HB       ASP  61  -7.101 -14.976  -0.977
  506   2HB   ASP  61          1HB       ASP  61  -8.839 -14.950  -1.273
  507    H    ALA  62           H        ALA  62  -6.062 -12.926  -1.240
  508    HA   ALA  62           HA       ALA  62  -4.625 -11.746   1.070
  509   1HB   ALA  62          1HB       ALA  62  -3.267 -13.804  -0.666
  510   2HB   ALA  62          2HB       ALA  62  -4.120 -14.260   0.807
  511   3HB   ALA  62          3HB       ALA  62  -2.742 -13.165   0.891
  512    H    PHE  63           H        PHE  63  -2.545 -10.713   0.331
  513    HA   PHE  63           HA       PHE  63  -2.401 -10.038  -2.536
  514   1HB   PHE  63          2HB       PHE  63  -3.267  -8.125  -0.386
  515   2HB   PHE  63          1HB       PHE  63  -2.270  -7.518  -1.708
  516    HD1  PHE  63           1HD      PHE  63  -5.479  -9.184  -0.868
  517    HD2  PHE  63           2HD      PHE  63  -3.139  -7.291  -3.933
  518    HE1  PHE  63           1HE      PHE  63  -7.473  -9.103  -2.343
  519    HE2  PHE  63           2HE      PHE  63  -5.132  -7.211  -5.407
  520    HZ   PHE  63           HZ       PHE  63  -7.298  -8.118  -4.612
  521    H    LEU  64           H        LEU  64  -0.281  -9.711  -3.097
  522    HA   LEU  64           HA       LEU  64   1.755 -10.042  -1.025
  523   1HB   LEU  64          2HB       LEU  64   1.761 -10.956  -3.464
  524   2HB   LEU  64          1HB       LEU  64   2.296  -9.339  -3.913
  525    HG   LEU  64           HG       LEU  64   3.713 -10.831  -1.705
  526   1HD1  LEU  64          1HD1      LEU  64   4.113 -11.163  -4.689
  527   2HD1  LEU  64          2HD1      LEU  64   3.735 -12.425  -3.516
  528   3HD1  LEU  64          3HD1      LEU  64   5.312 -11.635  -3.483
  529   1HD2  LEU  64          1HD2      LEU  64   5.638  -9.488  -2.688
  530   2HD2  LEU  64          2HD2      LEU  64   4.355  -8.524  -1.962
  531   3HD2  LEU  64          3HD2      LEU  64   4.454  -8.683  -3.715
  532    H    LEU  65           H        LEU  65   2.332  -8.275   0.188
  533    HA   LEU  65           HA       LEU  65   2.568  -5.673  -1.265
  534   1HB   LEU  65          2HB       LEU  65   2.384  -5.144   1.513
  535   2HB   LEU  65          1HB       LEU  65   1.220  -4.746   0.267
  536    HG   LEU  65           HG       LEU  65   1.255  -7.503   1.451
  537   1HD1  LEU  65          1HD1      LEU  65  -0.019  -4.984   2.559
  538   2HD1  LEU  65          2HD1      LEU  65   1.156  -6.022   3.366
  539   3HD1  LEU  65          3HD1      LEU  65  -0.477  -6.612   3.057
  540   1HD2  LEU  65          1HD2      LEU  65  -0.890  -5.705   0.255
  541   2HD2  LEU  65          2HD2      LEU  65  -1.142  -7.358   0.811
  542   3HD2  LEU  65          3HD2      LEU  65  -0.102  -7.044  -0.576
  543    HA   PRO  66           HA       PRO  66   6.825  -5.972   0.099
  544   1HB   PRO  66          2HB       PRO  66   7.630  -3.492  -0.732
  545   2HB   PRO  66          1HB       PRO  66   7.413  -4.860  -1.839
  546   1HG   PRO  66          2HG       PRO  66   5.658  -2.527  -1.357
  547   2HG   PRO  66          1HG       PRO  66   5.943  -3.436  -2.845
  548   1HD   PRO  66          2HD       PRO  66   3.698  -3.714  -1.244
  549   2HD   PRO  66          1HD       PRO  66   4.279  -4.930  -2.405
  550    H    GLN  67           H        GLN  67   8.062  -5.076   1.916
  551    HA   GLN  67           HA       GLN  67   6.799  -2.806   3.350
  552   1HB   GLN  67          2HB       GLN  67   7.358  -5.452   4.716
  553   2HB   GLN  67          1HB       GLN  67   6.639  -4.017   5.445
  554   1HG   GLN  67          2HG       GLN  67   4.767  -4.199   3.765
  555   2HG   GLN  67          1HG       GLN  67   5.445  -5.749   3.266
  556   1HE2  GLN  67          1HE2      GLN  67   6.245  -6.751   5.824
  557   2HE2  GLN  67          2HE2      GLN  67   4.851  -7.021   6.755
  558    H    CYS  68           H        CYS  68   8.296  -1.506   4.272
  559    HA   CYS  68           HA       CYS  68  11.137  -2.387   4.175
  560   1HB   CYS  68          2HB       CYS  68  10.041   0.343   4.884
  561   2HB   CYS  68          1HB       CYS  68  11.687  -0.056   4.394
  562    H    ASP  69           H        ASP  69  12.331  -2.734   6.045
  563    HA   ASP  69           HA       ASP  69  11.017  -2.048   8.652
  564   1HB   ASP  69          2HB       ASP  69  10.824  -4.506   8.008
  565   2HB   ASP  69          1HB       ASP  69  12.579  -4.591   8.161
  566    H    ARG  70           H        ARG  70  12.338  -0.586   9.623
  567    HA   ARG  70           HA       ARG  70  15.206  -0.499   9.024
  568   1HB   ARG  70          2HB       ARG  70  13.921   1.582   9.383
  569   2HB   ARG  70          1HB       ARG  70  13.560   1.072  11.031
  570   1HG   ARG  70          2HG       ARG  70  16.438   1.007  10.341
  571   2HG   ARG  70          1HG       ARG  70  15.724   2.618  10.322
  572   1HD   ARG  70          2HD       ARG  70  15.227   0.748  12.636
  573   2HD   ARG  70          1HD       ARG  70  16.689   1.732  12.567
  574    HE   ARG  70           HE       ARG  70  14.405   3.393  12.088
  575   1HH1  ARG  70          1HH2      ARG  70  16.039   1.574  14.519
  576   2HH1  ARG  70          2HH2      ARG  70  15.508   2.585  15.820
  577   1HH2  ARG  70          1HH1      ARG  70  13.702   4.724  13.774
  578   2HH2  ARG  70          2HH1      ARG  70  14.185   4.369  15.400
  579    H    ILE  71           H        ILE  71  16.822  -1.345  10.294
  580    HA   ILE  71           HA       ILE  71  16.191  -2.196  13.064
  581    HB   ILE  71           HB       ILE  71  17.406  -4.114  11.056
  582   1HG1  ILE  71          2HG1      ILE  71  14.567  -3.882  12.104
  583   2HG1  ILE  71          1HG1      ILE  71  15.092  -3.765  10.423
  584   1HG2  ILE  71          1HG2      ILE  71  17.221  -5.734  12.804
  585   2HG2  ILE  71          2HG2      ILE  71  16.222  -4.663  13.786
  586   3HG2  ILE  71          3HG2      ILE  71  17.933  -4.305  13.551
  587   1HD1  ILE  71          1HD1      ILE  71  14.253  -5.983  10.671
  588   2HD1  ILE  71          2HD1      ILE  71  15.096  -6.209  12.203
  589   3HD1  ILE  71          3HD1      ILE  71  16.009  -6.139  10.696
  590    H    LYS  72           H        LYS  72  18.583  -1.765  10.492
  591    HA   LYS  72           HA       LYS  72  20.629  -1.230  12.614
  592   1HB   LYS  72          2HB       LYS  72  20.830  -3.416  11.173
  593   2HB   LYS  72          1HB       LYS  72  21.383  -2.319   9.911
  594   1HG   LYS  72          2HG       LYS  72  23.067  -1.411  11.570
  595   2HG   LYS  72          1HG       LYS  72  22.603  -2.722  12.654
  596   1HD   LYS  72          2HD       LYS  72  23.653  -3.091   9.832
  597   2HD   LYS  72          1HD       LYS  72  24.607  -3.299  11.301
  598   1HE   LYS  72          2HE       LYS  72  22.723  -4.964  12.004
  599   2HE   LYS  72          1HE       LYS  72  22.321  -4.976  10.286
  600   1HZ   LYS  72          1HZ       LYS  72  24.075  -6.627  11.294
  601   2HZ   LYS  72          2HZ       LYS  72  25.125  -5.314  11.044
  602   3HZ   LYS  72          3HZ       LYS  72  24.265  -5.980   9.738
  603    H    LEU  73           H        LEU  73  22.432   0.198  11.755
  604    HA   LEU  73           HA       LEU  73  23.089   2.240  10.817
  605   1HB   LEU  73          2HB       LEU  73  21.225   1.627   8.516
  606   2HB   LEU  73          1HB       LEU  73  22.761   2.487   8.478
  607    HG   LEU  73           HG       LEU  73  22.380  -0.470   8.998
  608   1HD1  LEU  73          1HD1      LEU  73  22.193   0.051   6.649
  609   2HD1  LEU  73          2HD1      LEU  73  23.804  -0.615   6.918
  610   3HD1  LEU  73          3HD1      LEU  73  23.591   1.124   6.726
  611   1HD2  LEU  73          1HD2      LEU  73  24.941  -0.408   8.914
  612   2HD2  LEU  73          2HD2      LEU  73  24.200   0.236  10.379
  613   3HD2  LEU  73          3HD2      LEU  73  24.804   1.335   9.140
  614    HA   PRO  74           HA       PRO  74  19.710   5.025  11.611
  615   1HB   PRO  74          2HB       PRO  74  20.529   7.329  10.419
  616   2HB   PRO  74          1HB       PRO  74  21.364   6.621  11.813
  617   1HG   PRO  74          2HG       PRO  74  22.217   6.769   9.015
  618   2HG   PRO  74          1HG       PRO  74  23.178   6.489  10.474
  619   1HD   PRO  74          2HD       PRO  74  22.192   4.531   8.569
  620   2HD   PRO  74          1HD       PRO  74  23.255   4.265   9.968
  621    H    CYS  75           H        CYS  75  20.521   5.026   8.140
  622    HA   CYS  75           HA       CYS  75  17.612   5.445   7.568
  623   1HB   CYS  75          2HB       CYS  75  19.178   7.437   7.085
  624   2HB   CYS  75          1HB       CYS  75  19.817   6.449   5.771
  625    H    HIS  76           H        HIS  76  18.168   2.926   7.730
  626    HA   HIS  76           HA       HIS  76  18.393   2.008   4.911
  627   1HB   HIS  76          2HB       HIS  76  20.615   1.762   6.258
  628   2HB   HIS  76          1HB       HIS  76  19.771   0.472   7.115
  629    HD1  HIS  76           1HD      HIS  76  21.117   1.394   3.724
  630    HD2  HIS  76           2HD      HIS  76  19.280  -1.865   5.571
  631    HE1  HIS  76           1HE      HIS  76  21.326  -0.555   2.116
  632    HE2  HIS  76           2HE      HIS  76  20.212  -2.542   3.231
  633    H    TYR  77           H        TYR  77  17.180   0.058   4.537
  634    HA   TYR  77           HA       TYR  77  15.614  -0.947   6.871
  635   1HB   TYR  77          2HB       TYR  77  14.232  -0.581   4.239
  636   2HB   TYR  77          1HB       TYR  77  13.552  -0.588   5.866
  637    HD1  TYR  77           1HD      TYR  77  13.347   1.421   7.132
  638    HD2  TYR  77           2HD      TYR  77  15.585   1.405   3.466
  639    HE1  TYR  77           1HE      TYR  77  13.469   3.896   7.196
  640    HE2  TYR  77           2HE      TYR  77  15.705   3.884   3.530
  641    HH   TYR  77           HH       TYR  77  14.337   5.761   4.563
  642    H    LYS  78           H        LYS  78  14.496  -3.022   6.352
  643    HA   LYS  78           HA       LYS  78  16.181  -4.665   4.507
  644   1HB   LYS  78          2HB       LYS  78  14.604  -5.325   7.002
  645   2HB   LYS  78          1HB       LYS  78  15.136  -6.583   5.887
  646   1HG   LYS  78          2HG       LYS  78  17.152  -4.570   6.828
  647   2HG   LYS  78          1HG       LYS  78  16.664  -5.851   7.937
  648   1HD   LYS  78          2HD       LYS  78  17.386  -7.562   6.437
  649   2HD   LYS  78          1HD       LYS  78  17.561  -6.419   5.105
  650   1HE   LYS  78          2HE       LYS  78  19.172  -6.207   7.656
  651   2HE   LYS  78          1HE       LYS  78  19.732  -7.111   6.248
  652   1HZ   LYS  78          1HZ       LYS  78  19.557  -4.259   6.660
  653   2HZ   LYS  78          2HZ       LYS  78  18.967  -4.782   5.155
  654   3HZ   LYS  78          3HZ       LYS  78  20.560  -5.146   5.618
  655    H    LEU  79           H        LEU  79  15.074  -6.183   3.119
  656    HA   LEU  79           HA       LEU  79  12.419  -5.206   2.282
  657   1HB   LEU  79          2HB       LEU  79  14.027  -5.598   0.516
  658   2HB   LEU  79          1HB       LEU  79  14.332  -7.235   1.092
  659    HG   LEU  79           HG       LEU  79  12.087  -7.930   0.502
  660   1HD1  LEU  79          1HD1      LEU  79  10.650  -6.158  -0.747
  661   2HD1  LEU  79          2HD1      LEU  79  11.681  -4.974   0.055
  662   3HD1  LEU  79          3HD1      LEU  79  10.706  -6.087   1.013
  663   1HD2  LEU  79          1HD2      LEU  79  13.800  -7.840  -1.311
  664   2HD2  LEU  79          2HD2      LEU  79  13.228  -6.226  -1.735
  665   3HD2  LEU  79          3HD2      LEU  79  12.161  -7.618  -1.922
  666    H    SER  80           H        SER  80  10.588  -6.154   2.976
  667    HA   SER  80           HA       SER  80  10.547  -9.075   3.501
  668   1HB   SER  80          2HB       SER  80  10.897  -8.409   5.725
  669   2HB   SER  80          1HB       SER  80  10.002  -6.907   5.518
  670    HG   SER  80           HG       SER  80   8.629  -8.228   6.583
  671    H    SER  81           H        SER  81   8.661  -9.930   2.685
  672    HA   SER  81           HA       SER  81   6.289  -8.152   2.414
  673   1HB   SER  81          2HB       SER  81   7.687  -8.142   0.277
  674   2HB   SER  81          1HB       SER  81   7.278  -9.847   0.112
  675    HG   SER  81           HG       SER  81   5.059  -8.495   0.672
  676    H    SER  82           H        SER  82   4.298  -9.389   1.990
  677    HA   SER  82           HA       SER  82   4.391 -12.305   2.198
  678   1HB   SER  82          2HB       SER  82   3.059 -10.797   4.456
  679   2HB   SER  82          1HB       SER  82   3.344 -12.531   4.336
  680    HG   SER  82           HG       SER  82   4.852 -11.211   5.661
  681    H    THR  83           H        THR  83   2.140 -13.208   2.187
  682    HA   THR  83           HA       THR  83   0.363 -11.409   0.633
  683    HB   THR  83           HB       THR  83  -0.617 -13.935   0.324
  684    HG1  THR  83           1HG      THR  83   2.161 -14.286   0.310
  685   1HG2  THR  83          1HG2      THR  83  -0.139 -12.518  -1.546
  686   2HG2  THR  83          2HG2      THR  83   0.830 -13.975  -1.770
  687   3HG2  THR  83          3HG2      THR  83   1.582 -12.499  -1.163
  688    H    ASN  84           H        ASN  84  -1.391 -10.646   1.709
  689    HA   ASN  84           HA       ASN  84  -2.951 -12.407   3.454
  690   1HB   ASN  84          2HB       ASN  84  -2.782 -10.928   5.443
  691   2HB   ASN  84          1HB       ASN  84  -1.226 -11.653   5.032
  692   1HD2  ASN  84          1HD2      ASN  84  -1.413  -9.191   6.518
  693   2HD2  ASN  84          2HD2      ASN  84  -0.779  -7.947   5.553
  694    H    THR  85           H        THR  85  -5.005 -11.333   4.120
  695    HA   THR  85           HA       THR  85  -6.091  -9.731   2.014
  696    HB   THR  85           HB       THR  85  -7.565  -9.491   4.521
  697    HG1  THR  85           1HG      THR  85  -7.615 -12.101   4.004
  698   1HG2  THR  85          1HG2      THR  85  -8.000 -10.838   1.851
  699   2HG2  THR  85          2HG2      THR  85  -8.779  -9.390   2.486
  700   3HG2  THR  85          3HG2      THR  85  -9.172 -10.966   3.158
  701    H    ILE  86           H        ILE  86  -7.301  -7.552   2.757
  702    HA   ILE  86           HA       ILE  86  -5.533  -5.936   4.511
  703    HB   ILE  86           HB       ILE  86  -5.091  -4.282   2.830
  704   1HG1  ILE  86          2HG1      ILE  86  -6.987  -5.893   1.084
  705   2HG1  ILE  86          1HG1      ILE  86  -7.263  -4.266   1.700
  706   1HG2  ILE  86          1HG2      ILE  86  -3.746  -6.422   2.766
  707   2HG2  ILE  86          2HG2      ILE  86  -3.784  -5.544   1.238
  708   3HG2  ILE  86          3HG2      ILE  86  -4.798  -6.970   1.460
  709   1HD1  ILE  86          1HD1      ILE  86  -5.123  -3.593   0.469
  710   2HD1  ILE  86          2HD1      ILE  86  -6.520  -3.969  -0.541
  711   3HD1  ILE  86          3HD1      ILE  86  -5.227  -5.153  -0.346
  712    H    CYS  87           H        CYS  87  -6.557  -4.018   5.287
  713    HA   CYS  87           HA       CYS  87  -9.499  -3.895   4.773
  714   1HB   CYS  87          2HB       CYS  87  -9.210  -2.608   7.140
  715   2HB   CYS  87          1HB       CYS  87  -9.469  -4.345   7.040
  716    H    ILE  88           H        ILE  88 -10.124  -2.044   3.762
  717    HA   ILE  88           HA       ILE  88  -8.674   0.473   4.293
  718    HB   ILE  88           HB       ILE  88  -7.340   0.280   2.469
  719   1HG1  ILE  88          2HG1      ILE  88  -9.881   0.247   0.808
  720   2HG1  ILE  88          1HG1      ILE  88  -9.206   1.707   1.532
  721   1HG2  ILE  88          1HG2      ILE  88  -7.746  -1.545   0.742
  722   2HG2  ILE  88          2HG2      ILE  88  -9.126  -2.042   1.719
  723   3HG2  ILE  88          3HG2      ILE  88  -7.499  -2.097   2.396
  724   1HD1  ILE  88          1HD1      ILE  88  -8.495   0.541  -0.942
  725   2HD1  ILE  88          2HD1      ILE  88  -7.123   0.281   0.133
  726   3HD1  ILE  88          3HD1      ILE  88  -7.729   1.914  -0.146
  727    H    THR  89           H        THR  89  -9.889   2.352   3.513
  728    HA   THR  89           HA       THR  89 -12.776   1.678   3.167
  729    HB   THR  89           HB       THR  89 -11.315   3.824   4.570
  730    HG1  THR  89           1HG      THR  89 -12.542   2.389   5.701
  731   1HG2  THR  89          1HG2      THR  89 -13.800   4.407   2.942
  732   2HG2  THR  89          2HG2      THR  89 -12.258   5.263   2.886
  733   3HG2  THR  89          3HG2      THR  89 -13.288   5.394   4.310
  734    H    CYS  90           H        CYS  90 -13.897   2.355   1.409
  735    HA   CYS  90           HA       CYS  90 -12.447   3.978  -0.655
  736   1HB   CYS  90          2HB       CYS  90 -12.733   1.418  -1.068
  737   2HB   CYS  90          1HB       CYS  90 -14.429   1.808  -1.344
  738    H    VAL  91           H        VAL  91 -13.807   5.423  -1.863
  739    HA   VAL  91           HA       VAL  91 -16.358   6.054  -0.484
  740    HB   VAL  91           HB       VAL  91 -15.158   7.694  -2.706
  741   1HG1  VAL  91          1HG1      VAL  91 -16.378   9.453  -1.746
  742   2HG1  VAL  91          2HG1      VAL  91 -16.453   8.672  -0.167
  743   3HG1  VAL  91          3HG1      VAL  91 -17.456   8.081  -1.491
  744   1HG2  VAL  91          1HG2      VAL  91 -14.271   7.511   0.182
  745   2HG2  VAL  91          2HG2      VAL  91 -13.937   8.916  -0.832
  746   3HG2  VAL  91          3HG2      VAL  91 -13.277   7.339  -1.265
  747    H    ASN  92           H        ASN  92 -17.105   7.498  -3.107
  748    HA   ASN  92           HA       ASN  92 -19.087   5.814  -4.041
  749   1HB   ASN  92          2HB       ASN  92 -17.465   7.892  -5.498
  750   2HB   ASN  92          1HB       ASN  92 -18.813   7.056  -6.269
  751   1HD2  ASN  92          1HD2      ASN  92 -18.903   7.743  -2.809
  752   2HD2  ASN  92          2HD2      ASN  92 -20.096   8.947  -2.893
  753    H    GLN  93           H        GLN  93 -15.796   5.989  -5.185
  754    HA   GLN  93           HA       GLN  93 -15.604   3.218  -5.793
  755   1HB   GLN  93          2HB       GLN  93 -15.502   3.479  -8.336
  756   2HB   GLN  93          1HB       GLN  93 -17.112   3.532  -7.617
  757   1HG   GLN  93          2HG       GLN  93 -17.063   5.990  -7.648
  758   2HG   GLN  93          1HG       GLN  93 -15.439   5.958  -8.334
  759   1HE2  GLN  93          1HE2      GLN  93 -18.818   4.968  -9.031
  760   2HE2  GLN  93          2HE2      GLN  93 -18.638   4.988 -10.719
  761    H    LEU  94           H        LEU  94 -13.889   4.791  -4.475
  762    HA   LEU  94           HA       LEU  94 -11.481   4.675  -6.143
  763   1HB   LEU  94          2HB       LEU  94 -12.879   7.129  -5.904
  764   2HB   LEU  94          1HB       LEU  94 -11.485   7.269  -4.838
  765    HG   LEU  94           HG       LEU  94 -10.070   6.414  -6.785
  766   1HD1  LEU  94          1HD1      LEU  94 -12.742   6.747  -8.125
  767   2HD1  LEU  94          2HD1      LEU  94 -11.546   5.467  -8.326
  768   3HD1  LEU  94          3HD1      LEU  94 -11.265   7.053  -9.039
  769   1HD2  LEU  94          1HD2      LEU  94 -11.543   9.026  -7.241
  770   2HD2  LEU  94          2HD2      LEU  94  -9.914   8.624  -7.785
  771   3HD2  LEU  94          3HD2      LEU  94 -10.246   8.814  -6.063
  772    HA   PRO  95           HA       PRO  95 -10.515   3.512  -1.861
  773   1HB   PRO  95          2HB       PRO  95  -8.097   2.345  -2.376
  774   2HB   PRO  95          1HB       PRO  95  -9.646   1.536  -2.681
  775   1HG   PRO  95          2HG       PRO  95  -7.800   2.873  -4.589
  776   2HG   PRO  95          1HG       PRO  95  -8.782   1.413  -4.797
  777   1HD   PRO  95          2HD       PRO  95  -9.472   3.894  -5.799
  778   2HD   PRO  95          1HD       PRO  95 -10.645   2.606  -5.444
  779    H    ILE  96           H        ILE  96  -9.602   4.883  -0.345
  780    HA   ILE  96           HA       ILE  96  -7.097   6.312  -1.074
  781    HB   ILE  96           HB       ILE  96  -8.015   8.472  -0.408
  782   1HG1  ILE  96          2HG1      ILE  96 -10.608   8.517  -0.145
  783   2HG1  ILE  96          1HG1      ILE  96 -10.460   6.796   0.199
  784   1HG2  ILE  96          1HG2      ILE  96  -8.333   7.465  -2.772
  785   2HG2  ILE  96          2HG2      ILE  96  -9.308   8.869  -2.345
  786   3HG2  ILE  96          3HG2      ILE  96 -10.019   7.256  -2.308
  787   1HD1  ILE  96          1HD1      ILE  96  -9.619   7.169   2.270
  788   2HD1  ILE  96          2HD1      ILE  96 -10.247   8.802   2.073
  789   3HD1  ILE  96          3HD1      ILE  96  -8.556   8.461   1.714
  790    H    HIS  97           H        HIS  97  -8.909   4.642   1.320
  791    HA   HIS  97           HA       HIS  97  -7.148   5.856   3.431
  792   1HB   HIS  97          2HB       HIS  97  -9.979   5.141   3.384
  793   2HB   HIS  97          1HB       HIS  97  -9.136   4.406   4.748
  794    HD1  HIS  97           1HD      HIS  97  -7.149   6.533   5.537
  795    HD2  HIS  97           2HD      HIS  97 -11.067   7.456   4.440
  796    HE1  HIS  97           1HE      HIS  97  -7.664   8.798   6.551
  797    HE2  HIS  97           2HE      HIS  97 -10.046   9.369   5.890
  798    H    PHE  98           H        PHE  98  -5.721   4.565   4.451
  799    HA   PHE  98           HA       PHE  98  -5.714   1.661   3.758
  800   1HB   PHE  98          2HB       PHE  98  -3.658   3.018   3.252
  801   2HB   PHE  98          1HB       PHE  98  -3.500   3.341   4.977
  802    HD1  PHE  98           1HD      PHE  98  -3.922   0.473   2.597
  803    HD2  PHE  98           2HD      PHE  98  -2.239   1.873   6.293
  804    HE1  PHE  98           1HE      PHE  98  -2.764  -1.699   2.892
  805    HE2  PHE  98           2HE      PHE  98  -1.082  -0.300   6.589
  806    HZ   PHE  98           HZ       PHE  98  -1.344  -2.086   4.889
  807    H    ALA  99           H        ALA  99  -7.049   0.750   5.317
  808    HA   ALA  99           HA       ALA  99  -7.287   1.577   8.014
  809   1HB   ALA  99          1HB       ALA  99  -8.651  -0.171   6.596
  810   2HB   ALA  99          2HB       ALA  99  -8.516  -0.386   8.340
  811   3HB   ALA  99          3HB       ALA  99  -7.492  -1.318   7.258
  812    H    GLY 100           H        GLY 100  -5.779  -1.545   7.200
  813   1HA   GLY 100          2HA       GLY 100  -3.234  -0.882   8.414
  814   2HA   GLY 100          1HA       GLY 100  -4.250  -1.807   9.522
  815    H    VAL 101           H        VAL 101  -2.448  -3.431   9.241
  816    HA   VAL 101           HA       VAL 101  -2.366  -4.821   6.644
  817    HB   VAL 101           HB       VAL 101  -1.059  -5.623   9.258
  818   1HG1  VAL 101          1HG1      VAL 101  -0.475  -6.266   6.351
  819   2HG1  VAL 101          2HG1      VAL 101  -1.115  -7.382   7.557
  820   3HG1  VAL 101          3HG1      VAL 101   0.529  -6.763   7.713
  821   1HG2  VAL 101          1HG2      VAL 101  -0.001  -3.870   7.015
  822   2HG2  VAL 101          2HG2      VAL 101   0.933  -4.430   8.402
  823   3HG2  VAL 101          3HG2      VAL 101  -0.418  -3.321   8.639
  824    H    GLY 102           H        GLY 102  -3.270  -6.848   6.252
  825   1HA   GLY 102          2HA       GLY 102  -4.508  -8.817   6.697
  826   2HA   GLY 102          1HA       GLY 102  -4.480  -8.409   8.412
  827    H    SER 103           H        SER 103  -6.767  -8.893   8.548
  828    HA   SER 103           HA       SER 103  -8.582  -7.093   7.032
  829   1HB   SER 103          2HB       SER 103  -9.439  -9.237   8.972
  830   2HB   SER 103          1HB       SER 103 -10.331  -8.570   7.607
  831    HG   SER 103           HG       SER 103  -8.713 -10.676   7.664
  832    H    CYS 104           H        CYS 104 -10.025  -5.677   8.105
  833    HA   CYS 104           HA       CYS 104  -9.809  -5.412  11.039
  834   1HB   CYS 104          2HB       CYS 104  -9.410  -2.935   9.380
  835   2HB   CYS 104          1HB       CYS 104  -8.966  -3.226  11.060
  836    HA   PRO 105           HA       PRO 105 -14.096  -4.433  10.458
  837   1HB   PRO 105          2HB       PRO 105 -14.608  -3.037  12.760
  838   2HB   PRO 105          1HB       PRO 105 -14.387  -4.796  12.720
  839   1HG   PRO 105          2HG       PRO 105 -12.451  -2.665  13.490
  840   2HG   PRO 105          1HG       PRO 105 -12.738  -4.250  14.230
  841   1HD   PRO 105          2HD       PRO 105 -10.635  -3.770  12.552
  842   2HD   PRO 105          1HD       PRO 105 -11.412  -5.363  12.688
  Start of MODEL   13
    1    HN   PCA   1           H        PCA   1  -6.546   9.082   1.146
    2    HA   PCA   1           HA       PCA   1  -7.457  11.436   2.043
    3   1HB   PCA   1          1HB       PCA   1  -5.755  12.848   2.584
    4   2HB   PCA   1          2HB       PCA   1  -4.908  12.507   1.092
    5   1HG   PCA   1          1HG       PCA   1  -4.782  11.274   3.674
    6   2HG   PCA   1          2HG       PCA   1  -3.613  11.283   2.335
    7    H    ASP   2           H        ASP   2  -5.950   9.911  -0.620
    8    HA   ASP   2           HA       ASP   2  -7.841  11.036  -2.464
    9   1HB   ASP   2          2HB       ASP   2  -6.151  12.960  -2.070
   10   2HB   ASP   2          1HB       ASP   2  -5.011  11.965  -2.974
   11    H    TRP   3           H        TRP   3  -8.052   9.480  -4.010
   12    HA   TRP   3           HA       TRP   3  -6.624   7.100  -4.061
   13   1HB   TRP   3          2HB       TRP   3  -8.609   7.110  -5.318
   14   2HB   TRP   3          1HB       TRP   3  -8.156   8.567  -6.195
   15    HD1  TRP   3           HD       TRP   3  -7.902   7.905  -8.616
   16    HE1  TRP   3           1HE      TRP   3  -6.675   6.048  -9.913
   17    HE3  TRP   3           3HE      TRP   3  -6.189   5.071  -4.717
   18    HZ2  TRP   3           2HZ      TRP   3  -5.174   3.678  -9.374
   19    HZ3  TRP   3           3HZ      TRP   3  -4.870   3.026  -5.141
   20    HH2  TRP   3           HH       TRP   3  -4.360   2.322  -7.463
   21    H    GLU   4           H        GLU   4  -5.717  10.171  -5.485
   22    HA   GLU   4           HA       GLU   4  -3.662   9.196  -7.229
   23   1HB   GLU   4          2HB       GLU   4  -4.076  11.842  -5.821
   24   2HB   GLU   4          1HB       GLU   4  -2.709  11.552  -6.897
   25   1HG   GLU   4          2HG       GLU   4  -4.528  12.582  -8.162
   26   2HG   GLU   4          1HG       GLU   4  -4.309  10.916  -8.701
   27    H    THR   5           H        THR   5  -2.867  11.128  -4.348
   28    HA   THR   5           HA       THR   5  -0.302  10.098  -3.962
   29    HB   THR   5           HB       THR   5  -1.336  12.011  -2.715
   30    HG1  THR   5           1HG      THR   5  -0.315  11.276  -0.652
   31   1HG2  THR   5          1HG2      THR   5  -2.753  11.652  -0.858
   32   2HG2  THR   5          2HG2      THR   5  -2.384   9.928  -0.807
   33   3HG2  THR   5          3HG2      THR   5  -3.393  10.576  -2.099
   34    H    PHE   6           H        PHE   6  -3.341   8.866  -2.542
   35    HA   PHE   6           HA       PHE   6  -2.247   6.750  -1.042
   36   1HB   PHE   6          2HB       PHE   6  -4.617   7.260  -0.898
   37   2HB   PHE   6          1HB       PHE   6  -4.844   6.876  -2.603
   38    HD1  PHE   6           1HD      PHE   6  -4.416   4.495  -3.391
   39    HD2  PHE   6           2HD      PHE   6  -4.678   5.557   0.761
   40    HE1  PHE   6           1HE      PHE   6  -4.810   2.119  -2.810
   41    HE2  PHE   6           2HE      PHE   6  -5.073   3.181   1.341
   42    HZ   PHE   6           HZ       PHE   6  -5.139   1.460  -0.442
   43    H    GLN   7           H        GLN   7  -2.574   7.162  -4.475
   44    HA   GLN   7           HA       GLN   7  -1.962   4.326  -5.022
   45   1HB   GLN   7          2HB       GLN   7  -3.545   5.469  -6.505
   46   2HB   GLN   7          1HB       GLN   7  -2.336   6.691  -6.886
   47   1HG   GLN   7          2HG       GLN   7  -1.712   3.785  -7.343
   48   2HG   GLN   7          1HG       GLN   7  -2.678   4.671  -8.523
   49   1HE2  GLN   7          1HE2      GLN   7  -1.438   7.211  -8.434
   50   2HE2  GLN   7          2HE2      GLN   7   0.166   7.068  -8.970
   51    H    LYS   8           H        LYS   8  -0.307   7.342  -4.597
   52    HA   LYS   8           HA       LYS   8   2.059   6.430  -6.116
   53   1HB   LYS   8          2HB       LYS   8   1.766   8.907  -4.402
   54   2HB   LYS   8          1HB       LYS   8   2.976   8.605  -5.651
   55   1HG   LYS   8          2HG       LYS   8   0.877   8.274  -7.208
   56   2HG   LYS   8          1HG       LYS   8   0.047   9.202  -5.964
   57   1HD   LYS   8          2HD       LYS   8   1.839  10.959  -6.175
   58   2HD   LYS   8          1HD       LYS   8   2.475  10.064  -7.556
   59   1HE   LYS   8          2HE       LYS   8  -0.392  11.026  -7.378
   60   2HE   LYS   8          1HE       LYS   8   0.893  11.945  -8.163
   61   1HZ   LYS   8          1HZ       LYS   8  -0.217   9.316  -8.924
   62   2HZ   LYS   8          2HZ       LYS   8   1.314   9.816  -9.465
   63   3HZ   LYS   8          3HZ       LYS   8  -0.069  10.716  -9.869
   64    H    LYS   9           H        LYS   9   1.379   7.317  -2.691
   65    HA   LYS   9           HA       LYS   9   3.981   6.204  -1.909
   66   1HB   LYS   9          2HB       LYS   9   3.004   6.769   0.452
   67   2HB   LYS   9          1HB       LYS   9   3.469   8.081  -0.630
   68   1HG   LYS   9          2HG       LYS   9   1.220   8.531  -1.236
   69   2HG   LYS   9          1HG       LYS   9   0.653   6.991  -0.589
   70   1HD   LYS   9          2HD       LYS   9   1.314   7.762   1.700
   71   2HD   LYS   9          1HD       LYS   9   1.725   9.332   1.012
   72   1HE   LYS   9          2HE       LYS   9  -0.500   9.865   0.553
   73   2HE   LYS   9          1HE       LYS   9  -1.003   8.175   0.505
   74   1HZ   LYS   9          1HZ       LYS   9   0.076   9.106   3.034
   75   2HZ   LYS   9          2HZ       LYS   9  -1.251   8.091   2.722
   76   3HZ   LYS   9          3HZ       LYS   9  -1.416   9.777   2.585
   77    H    HIS  10           H        HIS  10   0.568   5.395  -1.064
   78    HA   HIS  10           HA       HIS  10   1.350   3.028   0.392
   79   1HB   HIS  10          2HB       HIS  10  -1.359   3.522  -0.847
   80   2HB   HIS  10          1HB       HIS  10  -0.977   2.542   0.566
   81    HD1  HIS  10           1HD      HIS  10  -2.993   4.682   1.081
   82    HD2  HIS  10           2HD      HIS  10   1.102   5.435   1.340
   83    HE1  HIS  10           1HE      HIS  10  -2.732   6.733   2.548
   84    HE2  HIS  10           2HE      HIS  10  -0.244   7.197   2.715
   85    H    LEU  11           H        LEU  11   1.069   3.590  -3.006
   86    HA   LEU  11           HA       LEU  11   1.046   0.611  -3.413
   87   1HB   LEU  11          2HB       LEU  11  -0.359   2.814  -4.833
   88   2HB   LEU  11          1HB       LEU  11   0.297   1.531  -5.844
   89    HG   LEU  11           HG       LEU  11  -0.878  -0.146  -4.426
   90   1HD1  LEU  11          1HD1      LEU  11  -1.747   2.367  -3.011
   91   2HD1  LEU  11          2HD1      LEU  11  -1.162   0.854  -2.327
   92   3HD1  LEU  11          3HD1      LEU  11  -2.785   0.942  -3.002
   93   1HD2  LEU  11          1HD2      LEU  11  -1.877   0.947  -6.508
   94   2HD2  LEU  11          2HD2      LEU  11  -2.812   1.960  -5.409
   95   3HD2  LEU  11          3HD2      LEU  11  -3.028   0.210  -5.396
   96    H    THR  12           H        THR  12   2.498  -0.243  -4.928
   97    HA   THR  12           HA       THR  12   4.482   1.674  -6.088
   98    HB   THR  12           HB       THR  12   5.646   0.792  -4.196
   99    HG1  THR  12           1HG      THR  12   6.696  -1.086  -5.807
  100   1HG2  THR  12          1HG2      THR  12   3.972  -1.514  -4.660
  101   2HG2  THR  12          2HG2      THR  12   4.947  -1.127  -3.246
  102   3HG2  THR  12          3HG2      THR  12   5.659  -2.016  -4.589
  103    H    ASP  13           H        ASP  13   6.050  -0.083  -7.486
  104    HA   ASP  13           HA       ASP  13   4.069  -1.493  -9.241
  105   1HB   ASP  13          2HB       ASP  13   6.670  -0.226 -10.128
  106   2HB   ASP  13          1HB       ASP  13   5.378  -0.852 -11.152
  107    H    THR  14           H        THR  14   6.169  -2.354  -6.978
  108    HA   THR  14           HA       THR  14   6.935  -4.792  -8.480
  109    HB   THR  14           HB       THR  14   8.833  -3.218  -8.794
  110    HG1  THR  14           1HG      THR  14   9.592  -5.210  -8.744
  111   1HG2  THR  14          1HG2      THR  14   8.425  -1.985  -6.641
  112   2HG2  THR  14          2HG2      THR  14  10.108  -2.443  -6.892
  113   3HG2  THR  14          3HG2      THR  14   9.099  -3.370  -5.782
  114    H    LYS  15           H        LYS  15   7.454  -6.567  -7.094
  115    HA   LYS  15           HA       LYS  15   6.130  -6.467  -4.503
  116   1HB   LYS  15          2HB       LYS  15   7.821  -8.638  -5.785
  117   2HB   LYS  15          1HB       LYS  15   6.838  -8.839  -4.334
  118   1HG   LYS  15          2HG       LYS  15   4.810  -8.512  -5.534
  119   2HG   LYS  15          1HG       LYS  15   5.657  -7.874  -6.943
  120   1HD   LYS  15          2HD       LYS  15   6.695 -10.080  -7.323
  121   2HD   LYS  15          1HD       LYS  15   5.846 -10.722  -5.917
  122   1HE   LYS  15          2HE       LYS  15   4.542 -11.335  -7.835
  123   2HE   LYS  15          1HE       LYS  15   3.680 -10.016  -7.043
  124   1HZ   LYS  15          1HZ       LYS  15   4.891  -8.497  -8.605
  125   2HZ   LYS  15          2HZ       LYS  15   3.736  -9.510  -9.329
  126   3HZ   LYS  15          3HZ       LYS  15   5.390  -9.875  -9.458
  127    H    LYS  16           H        LYS  16   9.279  -5.830  -5.651
  128    HA   LYS  16           HA       LYS  16  10.355  -5.918  -2.853
  129   1HB   LYS  16          2HB       LYS  16  11.927  -6.239  -5.432
  130   2HB   LYS  16          1HB       LYS  16  12.560  -6.364  -3.791
  131   1HG   LYS  16          2HG       LYS  16  12.215  -8.609  -4.163
  132   2HG   LYS  16          1HG       LYS  16  10.591  -8.200  -3.614
  133   1HD   LYS  16          2HD       LYS  16  10.113  -9.316  -5.602
  134   2HD   LYS  16          1HD       LYS  16  10.193  -7.649  -6.172
  135   1HE   LYS  16          2HE       LYS  16  12.538  -7.978  -6.845
  136   2HE   LYS  16          1HE       LYS  16  12.484  -9.638  -6.250
  137   1HZ   LYS  16          1HZ       LYS  16  10.507  -9.884  -7.822
  138   2HZ   LYS  16          2HZ       LYS  16  12.060  -9.835  -8.508
  139   3HZ   LYS  16          3HZ       LYS  16  11.064  -8.459  -8.554
  140    H    VAL  17           H        VAL  17   9.200  -3.681  -3.084
  141    HA   VAL  17           HA       VAL  17  10.127  -1.600  -4.716
  142    HB   VAL  17           HB       VAL  17   9.492  -0.065  -2.867
  143   1HG1  VAL  17          1HG1      VAL  17   7.460  -2.274  -2.987
  144   2HG1  VAL  17          2HG1      VAL  17   7.857  -1.339  -4.427
  145   3HG1  VAL  17          3HG1      VAL  17   7.202  -0.531  -3.002
  146   1HG2  VAL  17          1HG2      VAL  17  10.091  -1.011  -0.840
  147   2HG2  VAL  17          2HG2      VAL  17   9.639  -2.639  -1.341
  148   3HG2  VAL  17          3HG2      VAL  17   8.393  -1.483  -0.877
  149    H    LYS  18           H        LYS  18  11.523   0.230  -4.069
  150    HA   LYS  18           HA       LYS  18  14.032  -0.817  -2.890
  151   1HB   LYS  18          2HB       LYS  18  14.857   1.525  -3.757
  152   2HB   LYS  18          1HB       LYS  18  14.554   0.239  -4.926
  153   1HG   LYS  18          2HG       LYS  18  12.387   1.135  -5.472
  154   2HG   LYS  18          1HG       LYS  18  12.470   2.289  -4.141
  155   1HD   LYS  18          2HD       LYS  18  12.985   3.352  -6.329
  156   2HD   LYS  18          1HD       LYS  18  14.345   3.441  -5.210
  157   1HE   LYS  18          2HE       LYS  18  14.803   2.686  -7.662
  158   2HE   LYS  18          1HE       LYS  18  15.555   1.780  -6.349
  159   1HZ   LYS  18          1HZ       LYS  18  14.218   0.003  -6.681
  160   2HZ   LYS  18          2HZ       LYS  18  14.180   0.615  -8.266
  161   3HZ   LYS  18          3HZ       LYS  18  12.898   0.933  -7.198
  162    H    CYS  19           H        CYS  19  12.596  -0.707  -0.853
  163    HA   CYS  19           HA       CYS  19  11.568   1.367   0.498
  164   1HB   CYS  19          2HB       CYS  19  13.622  -0.599   1.528
  165   2HB   CYS  19          1HB       CYS  19  12.739   0.500   2.586
  166    H    ASP  20           H        ASP  20  15.055   0.984  -0.070
  167    HA   ASP  20           HA       ASP  20  16.140   2.976   1.524
  168   1HB   ASP  20          2HB       ASP  20  17.535   1.598   0.078
  169   2HB   ASP  20          1HB       ASP  20  16.829   2.340  -1.359
  170    H    VAL  21           H        VAL  21  14.480   3.399  -1.581
  171    HA   VAL  21           HA       VAL  21  14.600   6.354  -1.195
  172    HB   VAL  21           HB       VAL  21  13.526   4.978  -3.646
  173   1HG1  VAL  21          1HG1      VAL  21  13.323   7.180  -4.178
  174   2HG1  VAL  21          2HG1      VAL  21  15.067   7.142  -4.415
  175   3HG1  VAL  21          3HG1      VAL  21  14.401   7.691  -2.880
  176   1HG2  VAL  21          1HG2      VAL  21  15.627   3.856  -3.293
  177   2HG2  VAL  21          2HG2      VAL  21  16.432   5.373  -2.892
  178   3HG2  VAL  21          3HG2      VAL  21  15.893   5.072  -4.543
  179    H    GLU  22           H        GLU  22  12.379   3.618  -1.573
  180    HA   GLU  22           HA       GLU  22   9.947   5.046  -1.793
  181   1HB   GLU  22          2HB       GLU  22  10.655   2.377  -1.509
  182   2HB   GLU  22          1HB       GLU  22   9.764   2.708  -0.024
  183   1HG   GLU  22          2HG       GLU  22   7.985   3.798  -1.521
  184   2HG   GLU  22          1HG       GLU  22   8.815   3.029  -2.875
  185    H    MET  23           H        MET  23  12.229   5.202   0.621
  186    HA   MET  23           HA       MET  23  10.237   6.340   2.546
  187   1HB   MET  23          2HB       MET  23  12.724   4.760   3.269
  188   2HB   MET  23          1HB       MET  23  11.565   5.458   4.401
  189   1HG   MET  23          2HG       MET  23   9.802   4.004   3.571
  190   2HG   MET  23          1HG       MET  23  10.865   3.382   2.307
  191   1HE   MET  23          1HE       MET  23   9.696   2.482   6.089
  192   2HE   MET  23          2HE       MET  23  10.304   4.114   5.827
  193   3HE   MET  23          3HE       MET  23  11.234   2.981   6.801
  194    H    ALA  24           H        ALA  24  13.659   6.279   1.514
  195    HA   ALA  24           HA       ALA  24  14.283   8.736   2.932
  196   1HB   ALA  24          1HB       ALA  24  16.435   8.578   1.920
  197   2HB   ALA  24          2HB       ALA  24  15.819   7.591   0.594
  198   3HB   ALA  24          3HB       ALA  24  15.936   6.913   2.218
  199    H    LYS  25           H        LYS  25  12.268   8.258   0.424
  200    HA   LYS  25           HA       LYS  25  13.016  10.106  -1.586
  201   1HB   LYS  25          2HB       LYS  25  10.443   8.976  -0.580
  202   2HB   LYS  25          1HB       LYS  25  10.333  10.399  -1.608
  203   1HG   LYS  25          2HG       LYS  25  11.091   9.297  -3.474
  204   2HG   LYS  25          1HG       LYS  25  12.168   8.256  -2.552
  205   1HD   LYS  25          2HD       LYS  25  10.558   6.717  -3.190
  206   2HD   LYS  25          1HD       LYS  25   9.889   7.239  -1.644
  207   1HE   LYS  25          2HE       LYS  25   8.054   7.388  -3.123
  208   2HE   LYS  25          1HE       LYS  25   8.646   9.047  -3.025
  209   1HZ   LYS  25          1HZ       LYS  25   8.845   8.978  -5.218
  210   2HZ   LYS  25          2HZ       LYS  25   8.526   7.311  -5.273
  211   3HZ   LYS  25          3HZ       LYS  25  10.112   7.867  -5.025
  212    H    ALA  26           H        ALA  26  10.954  12.042  -1.630
  213    HA   ALA  26           HA       ALA  26  11.891  13.862   0.538
  214   1HB   ALA  26          1HB       ALA  26  10.448  14.460  -2.063
  215   2HB   ALA  26          2HB       ALA  26  12.177  14.659  -1.776
  216   3HB   ALA  26          3HB       ALA  26  11.017  15.665  -0.909
  217    H    LEU  27           H        LEU  27   9.142  12.048  -0.489
  218    HA   LEU  27           HA       LEU  27   7.274  13.766   1.055
  219   1HB   LEU  27          2HB       LEU  27   5.504  12.476   0.100
  220   2HB   LEU  27          1HB       LEU  27   6.652  12.773  -1.199
  221    HG   LEU  27           HG       LEU  27   7.625  10.415  -0.160
  222   1HD1  LEU  27          1HD1      LEU  27   4.601  10.408   0.099
  223   2HD1  LEU  27          2HD1      LEU  27   5.782  10.039   1.355
  224   3HD1  LEU  27          3HD1      LEU  27   5.571   8.940  -0.005
  225   1HD2  LEU  27          1HD2      LEU  27   7.280  10.882  -2.537
  226   2HD2  LEU  27          2HD2      LEU  27   5.530  10.804  -2.324
  227   3HD2  LEU  27          3HD2      LEU  27   6.508   9.350  -2.124
  228    H    PHE  28           H        PHE  28   9.411  11.318   1.710
  229    HA   PHE  28           HA       PHE  28   7.728  10.290   3.970
  230   1HB   PHE  28          2HB       PHE  28   9.757   8.975   2.198
  231   2HB   PHE  28          1HB       PHE  28   9.618   8.419   3.860
  232    HD1  PHE  28           1HD      PHE  28   8.518   7.763   0.647
  233    HD2  PHE  28           2HD      PHE  28   6.973   8.253   4.627
  234    HE1  PHE  28           1HE      PHE  28   6.527   6.416   0.043
  235    HE2  PHE  28           2HE      PHE  28   4.983   6.910   4.019
  236    HZ   PHE  28           HZ       PHE  28   4.760   5.989   1.729
  237    H    ASP  29           H        ASP  29  11.039  11.197   3.001
  238    HA   ASP  29           HA       ASP  29  12.668  12.348   4.252
  239   1HB   ASP  29          2HB       ASP  29  10.981  12.218   6.738
  240   2HB   ASP  29          1HB       ASP  29  12.099  13.474   6.212
  241    H    CYS  30           H        CYS  30  12.595   9.507   3.970
  242    HA   CYS  30           HA       CYS  30  13.563   7.570   4.872
  243   1HB   CYS  30          2HB       CYS  30  15.546   9.002   4.870
  244   2HB   CYS  30          1HB       CYS  30  15.079   9.690   6.423
  245    H    LYS  31           H        LYS  31  11.266   7.412   5.947
  246    HA   LYS  31           HA       LYS  31  11.023   7.975   8.764
  247   1HB   LYS  31          2HB       LYS  31   9.555   5.805   7.247
  248   2HB   LYS  31          1HB       LYS  31   9.013   6.654   8.689
  249   1HG   LYS  31          2HG       LYS  31   9.525   8.021   6.037
  250   2HG   LYS  31          1HG       LYS  31   7.945   7.426   6.528
  251   1HD   LYS  31          2HD       LYS  31   9.591   9.525   7.973
  252   2HD   LYS  31          1HD       LYS  31   8.132   9.811   7.029
  253   1HE   LYS  31          2HE       LYS  31   7.178   9.698   9.123
  254   2HE   LYS  31          1HE       LYS  31   7.134   7.984   8.715
  255   1HZ   LYS  31          1HZ       LYS  31   8.146   7.933  10.748
  256   2HZ   LYS  31          2HZ       LYS  31   8.935   9.422  10.532
  257   3HZ   LYS  31          3HZ       LYS  31   9.510   8.031   9.745
  258    H    LYS  32           H        LYS  32   9.991   5.100   9.177
  259    HA   LYS  32           HA       LYS  32  12.585   3.669   9.479
  260   1HB   LYS  32          2HB       LYS  32  12.092   3.121  11.808
  261   2HB   LYS  32          1HB       LYS  32  12.112   4.874  11.616
  262   1HG   LYS  32          2HG       LYS  32   9.592   4.748  11.282
  263   2HG   LYS  32          1HG       LYS  32   9.692   3.069  11.813
  264   1HD   LYS  32          2HD       LYS  32  10.674   5.449  13.415
  265   2HD   LYS  32          1HD       LYS  32   9.143   4.615  13.686
  266   1HE   LYS  32          2HE       LYS  32  10.582   2.469  13.893
  267   2HE   LYS  32          1HE       LYS  32  11.945   3.572  14.088
  268   1HZ   LYS  32          1HZ       LYS  32  11.156   3.123  16.239
  269   2HZ   LYS  32          2HZ       LYS  32   9.531   3.338  15.788
  270   3HZ   LYS  32          3HZ       LYS  32  10.578   4.674  15.869
  271    H    THR  33           H        THR  33   9.058   3.622   9.445
  272    HA   THR  33           HA       THR  33   9.174   0.771   8.571
  273    HB   THR  33           HB       THR  33   7.072   1.853  10.468
  274    HG1  THR  33           1HG      THR  33   8.240   0.498  11.988
  275   1HG2  THR  33          1HG2      THR  33   6.477  -0.489  10.724
  276   2HG2  THR  33          2HG2      THR  33   7.831  -0.979   9.706
  277   3HG2  THR  33          3HG2      THR  33   6.479  -0.088   9.006
  278    H    ASN  34           H        ASN  34   8.052   0.521   6.686
  279    HA   ASN  34           HA       ASN  34   5.797   2.387   6.113
  280   1HB   ASN  34          2HB       ASN  34   8.232   1.915   4.387
  281   2HB   ASN  34          1HB       ASN  34   6.716   2.519   3.722
  282   1HD2  ASN  34          1HD2      ASN  34   7.385   4.689   3.295
  283   2HD2  ASN  34          2HD2      ASN  34   7.859   5.766   4.518
  284    H    THR  35           H        THR  35   4.287   1.561   4.585
  285    HA   THR  35           HA       THR  35   4.633  -1.297   3.794
  286    HB   THR  35           HB       THR  35   2.258  -0.056   5.213
  287    HG1  THR  35           1HG      THR  35   2.881  -1.281   6.814
  288   1HG2  THR  35          1HG2      THR  35   1.249  -1.358   3.519
  289   2HG2  THR  35          2HG2      THR  35   1.321  -2.445   4.907
  290   3HG2  THR  35          3HG2      THR  35   2.501  -2.597   3.606
  291    H    PHE  36           H        PHE  36   3.354  -1.873   1.902
  292    HA   PHE  36           HA       PHE  36   1.872   0.299   0.548
  293   1HB   PHE  36          2HB       PHE  36   3.931  -0.968  -1.191
  294   2HB   PHE  36          1HB       PHE  36   3.291   0.671  -1.222
  295    HD1  PHE  36           1HD      PHE  36   5.861  -1.539   0.109
  296    HD2  PHE  36           2HD      PHE  36   4.153   2.384   0.365
  297    HE1  PHE  36           1HE      PHE  36   7.881  -0.747   1.279
  298    HE2  PHE  36           2HE      PHE  36   6.182   3.187   1.542
  299    HZ   PHE  36           HZ       PHE  36   8.050   1.616   1.991
  300    H    ILE  37           H        ILE  37   1.130  -0.658  -1.733
  301    HA   ILE  37           HA       ILE  37   0.507  -3.563  -1.346
  302    HB   ILE  37           HB       ILE  37  -1.288  -1.450  -2.562
  303   1HG1  ILE  37          2HG1      ILE  37  -2.068  -2.830  -0.042
  304   2HG1  ILE  37          1HG1      ILE  37  -0.740  -1.687   0.118
  305   1HG2  ILE  37          1HG2      ILE  37  -2.991  -3.303  -2.315
  306   2HG2  ILE  37          2HG2      ILE  37  -1.658  -4.386  -1.912
  307   3HG2  ILE  37          3HG2      ILE  37  -1.727  -3.627  -3.502
  308   1HD1  ILE  37          1HD1      ILE  37  -3.126  -0.787  -1.437
  309   2HD1  ILE  37          2HD1      ILE  37  -2.056   0.132  -0.377
  310   3HD1  ILE  37          3HD1      ILE  37  -3.292  -0.917   0.313
  311    H    TYR  38           H        TYR  38   0.864  -4.875  -3.099
  312    HA   TYR  38           HA       TYR  38   2.037  -3.573  -5.508
  313   1HB   TYR  38          2HB       TYR  38   3.278  -5.455  -4.536
  314   2HB   TYR  38          1HB       TYR  38   1.864  -6.492  -4.700
  315    HD1  TYR  38           1HD      TYR  38   4.001  -4.212  -6.777
  316    HD2  TYR  38           2HD      TYR  38   1.688  -7.829  -6.603
  317    HE1  TYR  38           1HE      TYR  38   4.667  -4.751  -9.105
  318    HE2  TYR  38           2HE      TYR  38   2.355  -8.366  -8.931
  319    HH   TYR  38           HH       TYR  38   3.546  -7.745 -10.691
  320    H    ALA  39           H        ALA  39   0.335  -2.864  -6.785
  321    HA   ALA  39           HA       ALA  39  -1.271  -4.914  -8.111
  322   1HB   ALA  39          1HB       ALA  39  -2.665  -4.589  -6.146
  323   2HB   ALA  39          2HB       ALA  39  -3.451  -3.817  -7.522
  324   3HB   ALA  39          3HB       ALA  39  -2.588  -2.837  -6.337
  325    H    LEU  40           H        LEU  40  -2.367  -4.028 -10.006
  326    HA   LEU  40           HA       LEU  40  -1.041  -1.569 -10.956
  327   1HB   LEU  40          2HB       LEU  40  -1.275  -2.410 -13.068
  328   2HB   LEU  40          1HB       LEU  40  -1.461  -3.925 -12.196
  329    HG   LEU  40           HG       LEU  40  -4.032  -3.174 -12.169
  330   1HD1  LEU  40          1HD1      LEU  40  -3.309  -1.014 -13.388
  331   2HD1  LEU  40          2HD1      LEU  40  -4.669  -1.898 -14.069
  332   3HD1  LEU  40          3HD1      LEU  40  -3.073  -2.038 -14.799
  333   1HD2  LEU  40          1HD2      LEU  40  -2.501  -4.438 -14.455
  334   2HD2  LEU  40          2HD2      LEU  40  -4.262  -4.428 -14.364
  335   3HD2  LEU  40          3HD2      LEU  40  -3.321  -5.261 -13.127
  336    HA   PRO  41           HA       PRO  41  -4.198   1.382 -10.153
  337   1HB   PRO  41          2HB       PRO  41  -4.250   1.874 -13.097
  338   2HB   PRO  41          1HB       PRO  41  -4.055   3.024 -11.764
  339   1HG   PRO  41          2HG       PRO  41  -2.011   2.092 -13.331
  340   2HG   PRO  41          1HG       PRO  41  -1.814   2.753 -11.703
  341   1HD   PRO  41          2HD       PRO  41  -1.418   0.014 -12.590
  342   2HD   PRO  41          1HD       PRO  41  -1.093   0.716 -10.992
  343    H    GLY  42           H        GLY  42  -4.861  -0.209 -13.297
  344   1HA   GLY  42          2HA       GLY  42  -7.656   0.055 -13.258
  345   2HA   GLY  42          1HA       GLY  42  -6.819  -1.261 -14.075
  346    H    ARG  43           H        ARG  43  -5.793  -2.770 -12.093
  347    HA   ARG  43           HA       ARG  43  -8.041  -4.187 -11.069
  348   1HB   ARG  43          2HB       ARG  43  -5.101  -4.256 -10.372
  349   2HB   ARG  43          1HB       ARG  43  -6.277  -5.338  -9.624
  350   1HG   ARG  43          2HG       ARG  43  -6.972  -6.066 -11.930
  351   2HG   ARG  43          1HG       ARG  43  -5.637  -5.111 -12.578
  352   1HD   ARG  43          2HD       ARG  43  -4.967  -7.466 -12.310
  353   2HD   ARG  43          1HD       ARG  43  -4.041  -6.427 -11.225
  354    HE   ARG  43           HE       ARG  43  -5.117  -7.465  -9.389
  355   1HH1  ARG  43          1HH2      ARG  43  -6.664  -8.148 -12.394
  356   2HH1  ARG  43          2HH2      ARG  43  -7.722  -9.346 -11.729
  357   1HH2  ARG  43          1HH1      ARG  43  -6.490  -9.027  -8.503
  358   2HH2  ARG  43          2HH1      ARG  43  -7.625  -9.844  -9.526
  359    H    VAL  44           H        VAL  44  -6.138  -1.561  -9.734
  360    HA   VAL  44           HA       VAL  44  -7.093  -1.941  -7.008
  361    HB   VAL  44           HB       VAL  44  -5.786   0.450  -8.339
  362   1HG1  VAL  44          1HG1      VAL  44  -5.210   0.876  -5.823
  363   2HG1  VAL  44          2HG1      VAL  44  -6.599  -0.160  -5.503
  364   3HG1  VAL  44          3HG1      VAL  44  -6.804   1.334  -6.419
  365   1HG2  VAL  44          1HG2      VAL  44  -3.729  -0.394  -7.541
  366   2HG2  VAL  44          2HG2      VAL  44  -4.549  -1.833  -8.141
  367   3HG2  VAL  44          3HG2      VAL  44  -4.514  -1.497  -6.411
  368    H    LYS  45           H        LYS  45  -7.719   0.620  -9.442
  369    HA   LYS  45           HA       LYS  45  -9.938   1.725  -7.979
  370   1HB   LYS  45          2HB       LYS  45 -10.383   3.019  -9.967
  371   2HB   LYS  45          1HB       LYS  45  -8.631   2.897  -9.808
  372   1HG   LYS  45          2HG       LYS  45  -8.763   0.866 -11.349
  373   2HG   LYS  45          1HG       LYS  45 -10.433   1.335 -11.668
  374   1HD   LYS  45          2HD       LYS  45  -9.275   3.717 -12.102
  375   2HD   LYS  45          1HD       LYS  45  -7.894   2.689 -12.479
  376   1HE   LYS  45          2HE       LYS  45 -10.534   2.909 -13.878
  377   2HE   LYS  45          1HE       LYS  45  -8.913   2.776 -14.562
  378   1HZ   LYS  45          1HZ       LYS  45  -9.451   0.469 -13.061
  379   2HZ   LYS  45          2HZ       LYS  45  -9.193   0.604 -14.735
  380   3HZ   LYS  45          3HZ       LYS  45 -10.764   0.736 -14.102
  381    H    ALA  46           H        ALA  46  -9.575  -1.030  -9.997
  382    HA   ALA  46           HA       ALA  46 -12.350  -1.268 -10.816
  383   1HB   ALA  46          1HB       ALA  46 -10.030  -3.209 -10.735
  384   2HB   ALA  46          2HB       ALA  46 -10.699  -2.396 -12.148
  385   3HB   ALA  46          3HB       ALA  46 -11.624  -3.656 -11.335
  386    H    LEU  47           H        LEU  47 -10.375  -2.616  -8.175
  387    HA   LEU  47           HA       LEU  47 -12.525  -4.272  -7.157
  388   1HB   LEU  47          2HB       LEU  47  -9.761  -3.594  -6.383
  389   2HB   LEU  47          1HB       LEU  47 -10.830  -3.877  -5.010
  390    HG   LEU  47           HG       LEU  47 -11.546  -6.032  -6.101
  391   1HD1  LEU  47          1HD1      LEU  47 -10.831  -5.285  -8.414
  392   2HD1  LEU  47          2HD1      LEU  47 -10.285  -6.900  -7.963
  393   3HD1  LEU  47          3HD1      LEU  47  -9.162  -5.542  -7.906
  394   1HD2  LEU  47          1HD2      LEU  47  -9.658  -5.770  -4.373
  395   2HD2  LEU  47          2HD2      LEU  47  -8.546  -5.933  -5.733
  396   3HD2  LEU  47          3HD2      LEU  47  -9.652  -7.248  -5.334
  397    H    CYS  48           H        CYS  48 -12.288  -0.982  -7.281
  398    HA   CYS  48           HA       CYS  48 -13.661  -0.602  -4.649
  399   1HB   CYS  48          2HB       CYS  48 -11.845   1.066  -6.281
  400   2HB   CYS  48          1HB       CYS  48 -13.244   1.933  -5.650
  401    H    LYS  49           H        LYS  49 -14.111  -0.733  -8.030
  402    HA   LYS  49           HA       LYS  49 -16.346   1.034  -8.316
  403   1HB   LYS  49          2HB       LYS  49 -16.587   0.110 -10.453
  404   2HB   LYS  49          1HB       LYS  49 -14.884  -0.188 -10.114
  405   1HG   LYS  49          2HG       LYS  49 -15.671  -2.461  -9.159
  406   2HG   LYS  49          1HG       LYS  49 -17.184  -2.139 -10.005
  407   1HD   LYS  49          2HD       LYS  49 -15.915  -1.852 -12.122
  408   2HD   LYS  49          1HD       LYS  49 -14.428  -2.253 -11.264
  409   1HE   LYS  49          2HE       LYS  49 -15.365  -4.228 -12.433
  410   2HE   LYS  49          1HE       LYS  49 -15.336  -4.462 -10.686
  411   1HZ   LYS  49          1HZ       LYS  49 -17.708  -3.449 -12.147
  412   2HZ   LYS  49          2HZ       LYS  49 -17.630  -3.991 -10.538
  413   3HZ   LYS  49          3HZ       LYS  49 -17.458  -5.094 -11.818
  414    H    ASN  50           H        ASN  50 -18.620   0.383  -8.575
  415    HA   ASN  50           HA       ASN  50 -20.564  -0.740  -7.906
  416   1HB   ASN  50          2HB       ASN  50 -19.098  -2.737  -8.793
  417   2HB   ASN  50          1HB       ASN  50 -18.939  -3.133  -7.082
  418   1HD2  ASN  50          1HD2      ASN  50 -21.256  -2.875  -9.754
  419   2HD2  ASN  50          2HD2      ASN  50 -22.526  -3.674  -8.958
  420    H    ILE  51           H        ILE  51 -17.931  -0.123  -5.866
  421    HA   ILE  51           HA       ILE  51 -19.141  -1.127  -3.406
  422    HB   ILE  51           HB       ILE  51 -16.900   0.871  -3.833
  423   1HG1  ILE  51          2HG1      ILE  51 -16.358  -1.334  -4.750
  424   2HG1  ILE  51          1HG1      ILE  51 -15.446  -1.073  -3.266
  425   1HG2  ILE  51          1HG2      ILE  51 -18.051  -0.443  -1.386
  426   2HG2  ILE  51          2HG2      ILE  51 -17.595   1.244  -1.630
  427   3HG2  ILE  51          3HG2      ILE  51 -16.349   0.015  -1.432
  428   1HD1  ILE  51          1HD1      ILE  51 -17.547  -2.255  -2.151
  429   2HD1  ILE  51          2HD1      ILE  51 -16.260  -3.211  -2.882
  430   3HD1  ILE  51          3HD1      ILE  51 -17.752  -2.917  -3.774
  431    H    ARG  52           H        ARG  52 -19.453   0.569  -1.578
  432    HA   ARG  52           HA       ARG  52 -21.363   2.585  -2.624
  433   1HB   ARG  52          2HB       ARG  52 -21.426   0.832  -0.444
  434   2HB   ARG  52          1HB       ARG  52 -21.124   2.401   0.296
  435   1HG   ARG  52          2HG       ARG  52 -23.337   1.894  -1.716
  436   2HG   ARG  52          1HG       ARG  52 -23.568   1.834   0.030
  437   1HD   ARG  52          2HD       ARG  52 -22.867   4.161   0.247
  438   2HD   ARG  52          1HD       ARG  52 -22.508   4.241  -1.478
  439    HE   ARG  52           HE       ARG  52 -25.140   4.472  -0.285
  440   1HH1  ARG  52          1HH2      ARG  52 -23.321   3.366  -2.996
  441   2HH1  ARG  52          2HH2      ARG  52 -24.639   3.514  -4.110
  442   1HH2  ARG  52          1HH1      ARG  52 -26.872   4.671  -1.722
  443   2HH2  ARG  52          2HH1      ARG  52 -26.650   4.253  -3.389
  444    H    ASP  53           H        ASP  53 -21.158   4.273  -0.251
  445    HA   ASP  53           HA       ASP  53 -19.062   6.060  -1.153
  446   1HB   ASP  53          2HB       ASP  53 -19.788   7.500   0.654
  447   2HB   ASP  53          1HB       ASP  53 -21.218   6.805  -0.110
  448    H    ASN  54           H        ASN  54 -18.328   6.927   1.520
  449    HA   ASN  54           HA       ASN  54 -15.881   5.479   1.795
  450   1HB   ASN  54          2HB       ASN  54 -15.537   6.800   3.823
  451   2HB   ASN  54          1HB       ASN  54 -16.205   7.827   2.553
  452   1HD2  ASN  54          1HD2      ASN  54 -18.877   7.496   2.607
  453   2HD2  ASN  54          2HD2      ASN  54 -19.531   7.780   4.147
  454    H    THR  55           H        THR  55 -15.731   3.435   2.503
  455    HA   THR  55           HA       THR  55 -16.971   2.671   5.051
  456    HB   THR  55           HB       THR  55 -17.508   0.766   2.803
  457    HG1  THR  55           1HG      THR  55 -19.656   2.068   2.886
  458   1HG2  THR  55          1HG2      THR  55 -19.048   1.580   5.285
  459   2HG2  THR  55          2HG2      THR  55 -17.991   0.174   5.152
  460   3HG2  THR  55          3HG2      THR  55 -19.471   0.257   4.197
  461    H    ASP  56           H        ASP  56 -16.143   0.473   5.721
  462    HA   ASP  56           HA       ASP  56 -13.341   0.187   4.807
  463   1HB   ASP  56          2HB       ASP  56 -13.182  -1.392   6.760
  464   2HB   ASP  56          1HB       ASP  56 -13.671   0.243   7.205
  465    H    VAL  57           H        VAL  57 -12.889  -1.260   3.233
  466    HA   VAL  57           HA       VAL  57 -14.742  -3.572   2.843
  467    HB   VAL  57           HB       VAL  57 -13.904  -3.694   0.577
  468   1HG1  VAL  57          1HG1      VAL  57 -14.669  -1.569  -0.273
  469   2HG1  VAL  57          2HG1      VAL  57 -14.293  -0.765   1.253
  470   3HG1  VAL  57          3HG1      VAL  57 -15.615  -1.931   1.172
  471   1HG2  VAL  57          1HG2      VAL  57 -12.201  -1.941  -0.157
  472   2HG2  VAL  57          2HG2      VAL  57 -11.570  -3.226   0.875
  473   3HG2  VAL  57          3HG2      VAL  57 -11.912  -1.635   1.554
  474    H    LEU  58           H        LEU  58 -13.570  -5.606   2.062
  475    HA   LEU  58           HA       LEU  58 -10.911  -5.922   3.394
  476   1HB   LEU  58          2HB       LEU  58 -13.309  -6.913   4.404
  477   2HB   LEU  58          1HB       LEU  58 -12.669  -8.289   3.514
  478    HG   LEU  58           HG       LEU  58 -11.941  -8.278   5.885
  479   1HD1  LEU  58          1HD1      LEU  58  -9.504  -8.532   5.437
  480   2HD1  LEU  58          2HD1      LEU  58  -9.747  -7.815   3.846
  481   3HD1  LEU  58          3HD1      LEU  58 -10.508  -9.355   4.244
  482   1HD2  LEU  58          1HD2      LEU  58 -11.051  -6.463   6.903
  483   2HD2  LEU  58          2HD2      LEU  58 -11.675  -5.543   5.537
  484   3HD2  LEU  58          3HD2      LEU  58 -10.001  -6.099   5.536
  485    H    SER  59           H        SER  59  -9.442  -7.114   2.151
  486    HA   SER  59           HA       SER  59  -9.985  -7.610  -0.577
  487   1HB   SER  59          2HB       SER  59  -7.731  -7.767  -0.391
  488   2HB   SER  59          1HB       SER  59  -7.823  -8.258   1.292
  489    HG   SER  59           HG       SER  59  -8.479  -9.962  -0.877
  490    H    ARG  60           H        ARG  60 -10.359  -9.625  -1.718
  491    HA   ARG  60           HA       ARG  60 -12.277 -11.314  -0.288
  492   1HB   ARG  60          2HB       ARG  60 -12.420 -10.455  -2.735
  493   2HB   ARG  60          1HB       ARG  60 -11.324 -11.784  -3.108
  494   1HG   ARG  60          2HG       ARG  60 -12.901 -13.399  -2.177
  495   2HG   ARG  60          1HG       ARG  60 -13.977 -12.096  -1.672
  496   1HD   ARG  60          2HD       ARG  60 -14.397 -11.463  -3.968
  497   2HD   ARG  60          1HD       ARG  60 -13.170 -12.590  -4.551
  498    HE   ARG  60           HE       ARG  60 -14.729 -14.351  -4.282
  499   1HH1  ARG  60          1HH2      ARG  60 -15.712 -11.455  -2.691
  500   2HH1  ARG  60          2HH2      ARG  60 -17.298 -12.041  -2.315
  501   1HH2  ARG  60          1HH1      ARG  60 -16.794 -15.134  -3.800
  502   2HH2  ARG  60          2HH1      ARG  60 -17.910 -14.125  -2.943
  503    H    ASP  61           H        ASP  61  -8.976 -11.424  -0.402
  504    HA   ASP  61           HA       ASP  61  -8.912 -14.161   0.519
  505   1HB   ASP  61          2HB       ASP  61  -9.158 -14.651  -1.868
  506   2HB   ASP  61          1HB       ASP  61  -7.791 -13.601  -2.242
  507    H    ALA  62           H        ALA  62  -6.320 -12.876  -1.465
  508    HA   ALA  62           HA       ALA  62  -4.922 -11.859   0.945
  509   1HB   ALA  62          1HB       ALA  62  -3.018 -13.260   0.673
  510   2HB   ALA  62          2HB       ALA  62  -3.568 -13.829  -0.903
  511   3HB   ALA  62          3HB       ALA  62  -4.405 -14.343   0.562
  512    H    PHE  63           H        PHE  63  -2.923 -10.659   0.342
  513    HA   PHE  63           HA       PHE  63  -2.713  -9.885  -2.505
  514   1HB   PHE  63          2HB       PHE  63  -3.644  -8.081  -0.290
  515   2HB   PHE  63          1HB       PHE  63  -2.648  -7.402  -1.578
  516    HD1  PHE  63           1HD      PHE  63  -3.518  -7.056  -3.776
  517    HD2  PHE  63           2HD      PHE  63  -5.806  -9.229  -0.862
  518    HE1  PHE  63           1HE      PHE  63  -5.495  -6.977  -5.270
  519    HE2  PHE  63           2HE      PHE  63  -7.784  -9.149  -2.356
  520    HZ   PHE  63           HZ       PHE  63  -7.627  -8.023  -4.559
  521    H    LEU  64           H        LEU  64  -0.607  -9.606  -3.022
  522    HA   LEU  64           HA       LEU  64   1.427  -9.900  -0.948
  523   1HB   LEU  64          2HB       LEU  64   1.499 -10.845  -3.343
  524   2HB   LEU  64          1HB       LEU  64   1.905  -9.209  -3.853
  525    HG   LEU  64           HG       LEU  64   3.448 -10.697  -1.711
  526   1HD1  LEU  64          1HD1      LEU  64   5.164 -10.948  -3.598
  527   2HD1  LEU  64          2HD1      LEU  64   3.841 -10.580  -4.705
  528   3HD1  LEU  64          3HD1      LEU  64   3.756 -12.008  -3.674
  529   1HD2  LEU  64          1HD2      LEU  64   5.198  -8.953  -2.679
  530   2HD2  LEU  64          2HD2      LEU  64   4.008  -8.443  -1.485
  531   3HD2  LEU  64          3HD2      LEU  64   3.746  -8.095  -3.194
  532    H    LEU  65           H        LEU  65   1.962  -8.125   0.271
  533    HA   LEU  65           HA       LEU  65   2.183  -5.517  -1.175
  534   1HB   LEU  65          2HB       LEU  65   1.974  -5.007   1.608
  535   2HB   LEU  65          1HB       LEU  65   0.820  -4.604   0.354
  536    HG   LEU  65           HG       LEU  65   0.858  -7.369   1.521
  537   1HD1  LEU  65          1HD1      LEU  65   0.729  -5.893   3.440
  538   2HD1  LEU  65          2HD1      LEU  65  -0.895  -6.501   3.113
  539   3HD1  LEU  65          3HD1      LEU  65  -0.449  -4.866   2.623
  540   1HD2  LEU  65          1HD2      LEU  65  -1.540  -7.222   0.860
  541   2HD2  LEU  65          2HD2      LEU  65  -0.479  -6.927  -0.516
  542   3HD2  LEU  65          3HD2      LEU  65  -1.270  -5.576   0.290
  543    HA   PRO  66           HA       PRO  66   6.430  -5.934   0.243
  544   1HB   PRO  66          2HB       PRO  66   7.359  -3.597  -0.847
  545   2HB   PRO  66          1HB       PRO  66   7.116  -5.079  -1.788
  546   1HG   PRO  66          2HG       PRO  66   5.451  -2.639  -1.653
  547   2HG   PRO  66          1HG       PRO  66   5.727  -3.743  -3.002
  548   1HD   PRO  66          2HD       PRO  66   3.444  -3.707  -1.422
  549   2HD   PRO  66          1HD       PRO  66   3.974  -5.080  -2.419
  550    H    GLN  67           H        GLN  67   7.584  -5.003   2.039
  551    HA   GLN  67           HA       GLN  67   6.516  -2.459   3.128
  552   1HB   GLN  67          2HB       GLN  67   6.809  -4.828   4.970
  553   2HB   GLN  67          1HB       GLN  67   5.903  -3.336   5.225
  554   1HG   GLN  67          2HG       GLN  67   4.339  -4.014   3.408
  555   2HG   GLN  67          1HG       GLN  67   5.213  -5.540   3.259
  556   1HE2  GLN  67          1HE2      GLN  67   2.451  -5.499   4.002
  557   2HE2  GLN  67          2HE2      GLN  67   2.320  -6.018   5.613
  558    H    CYS  68           H        CYS  68   7.988  -1.339   4.400
  559    HA   CYS  68           HA       CYS  68  10.777  -2.415   4.356
  560   1HB   CYS  68          2HB       CYS  68   9.930   0.414   4.988
  561   2HB   CYS  68          1HB       CYS  68  11.518  -0.156   4.474
  562    H    ASP  69           H        ASP  69  11.992  -2.539   6.279
  563    HA   ASP  69           HA       ASP  69  10.625  -1.748   8.812
  564   1HB   ASP  69          2HB       ASP  69  10.162  -4.168   8.357
  565   2HB   ASP  69          1HB       ASP  69  11.900  -4.463   8.371
  566    H    ARG  70           H        ARG  70  12.063  -0.342   9.708
  567    HA   ARG  70           HA       ARG  70  14.955  -0.652   9.239
  568   1HB   ARG  70          2HB       ARG  70  13.531   1.563   9.409
  569   2HB   ARG  70          1HB       ARG  70  13.774   1.358  11.140
  570   1HG   ARG  70          2HG       ARG  70  15.988   1.438   9.065
  571   2HG   ARG  70          1HG       ARG  70  15.528   2.785  10.103
  572   1HD   ARG  70          2HD       ARG  70  16.855   0.194  10.850
  573   2HD   ARG  70          1HD       ARG  70  17.310   1.839  11.287
  574    HE   ARG  70           HE       ARG  70  15.411   0.163  12.716
  575   1HH1  ARG  70          1HH2      ARG  70  16.329   3.366  11.831
  576   2HH1  ARG  70          2HH2      ARG  70  15.589   4.103  13.213
  577   1HH2  ARG  70          1HH1      ARG  70  14.438   1.107  14.526
  578   2HH2  ARG  70          2HH1      ARG  70  14.517   2.824  14.738
  579    H    ILE  71           H        ILE  71  16.228  -1.821  10.590
  580    HA   ILE  71           HA       ILE  71  15.355  -2.151  13.435
  581    HB   ILE  71           HB       ILE  71  16.450  -4.253  11.547
  582   1HG1  ILE  71          2HG1      ILE  71  13.904  -3.584  11.739
  583   2HG1  ILE  71          1HG1      ILE  71  14.361  -5.284  11.708
  584   1HG2  ILE  71          1HG2      ILE  71  16.187  -4.217  14.553
  585   2HG2  ILE  71          2HG2      ILE  71  17.585  -4.672  13.579
  586   3HG2  ILE  71          3HG2      ILE  71  16.175  -5.729  13.646
  587   1HD1  ILE  71          1HD1      ILE  71  14.147  -3.837  14.340
  588   2HD1  ILE  71          2HD1      ILE  71  13.997  -5.561  14.007
  589   3HD1  ILE  71          3HD1      ILE  71  12.699  -4.458  13.551
  590    H    LYS  72           H        LYS  72  17.909  -1.564  11.159
  591    HA   LYS  72           HA       LYS  72  19.711  -0.899  13.393
  592   1HB   LYS  72          2HB       LYS  72  19.938  -3.422  12.600
  593   2HB   LYS  72          1HB       LYS  72  20.867  -2.703  11.289
  594   1HG   LYS  72          2HG       LYS  72  22.268  -1.523  13.006
  595   2HG   LYS  72          1HG       LYS  72  21.402  -2.410  14.259
  596   1HD   LYS  72          2HD       LYS  72  22.813  -3.805  11.976
  597   2HD   LYS  72          1HD       LYS  72  23.629  -3.421  13.491
  598   1HE   LYS  72          2HE       LYS  72  21.681  -4.635  14.656
  599   2HE   LYS  72          1HE       LYS  72  21.271  -5.258  13.058
  600   1HZ   LYS  72          1HZ       LYS  72  23.618  -6.042  12.909
  601   2HZ   LYS  72          2HZ       LYS  72  22.683  -6.830  14.088
  602   3HZ   LYS  72          3HZ       LYS  72  23.805  -5.639  14.545
  603    H    LEU  73           H        LEU  73  21.866  -0.018  12.382
  604    HA   LEU  73           HA       LEU  73  22.897   1.560  10.999
  605   1HB   LEU  73          2HB       LEU  73  20.928   0.790   8.835
  606   2HB   LEU  73          1HB       LEU  73  22.577   1.367   8.646
  607    HG   LEU  73           HG       LEU  73  21.685  -1.332   9.664
  608   1HD1  LEU  73          1HD1      LEU  73  21.836  -1.190   7.256
  609   2HD1  LEU  73          2HD1      LEU  73  23.249  -2.072   7.832
  610   3HD1  LEU  73          3HD1      LEU  73  23.401  -0.382   7.355
  611   1HD2  LEU  73          1HD2      LEU  73  24.364   0.059   9.857
  612   2HD2  LEU  73          2HD2      LEU  73  24.223  -1.698   9.884
  613   3HD2  LEU  73          3HD2      LEU  73  23.456  -0.734  11.145
  614    HA   PRO  74           HA       PRO  74  20.256   5.107  11.154
  615   1HB   PRO  74          2HB       PRO  74  21.217   6.523   8.849
  616   2HB   PRO  74          1HB       PRO  74  21.756   6.690  10.528
  617   1HG   PRO  74          2HG       PRO  74  23.257   5.654   8.433
  618   2HG   PRO  74          1HG       PRO  74  23.607   5.463  10.157
  619   1HD   PRO  74          2HD       PRO  74  22.363   3.522   8.258
  620   2HD   PRO  74          1HD       PRO  74  23.387   3.217   9.681
  621    H    CYS  75           H        CYS  75  20.541   5.091   7.599
  622    HA   CYS  75           HA       CYS  75  17.550   5.055   7.470
  623   1HB   CYS  75          2HB       CYS  75  18.932   7.073   6.616
  624   2HB   CYS  75          1HB       CYS  75  19.375   6.021   5.273
  625    H    HIS  76           H        HIS  76  18.616   2.568   7.712
  626    HA   HIS  76           HA       HIS  76  18.518   1.488   4.915
  627   1HB   HIS  76          2HB       HIS  76  20.691   1.264   6.501
  628   2HB   HIS  76          1HB       HIS  76  19.782  -0.130   7.084
  629    HD1  HIS  76           1HD      HIS  76  20.775   1.354   3.699
  630    HD2  HIS  76           2HD      HIS  76  20.188  -2.359   5.510
  631    HE1  HIS  76           1HE      HIS  76  21.368  -0.395   1.962
  632    HE2  HIS  76           2HE      HIS  76  21.013  -2.656   3.054
  633    H    TYR  77           H        TYR  77  16.684   0.324   4.592
  634    HA   TYR  77           HA       TYR  77  15.294  -0.795   6.992
  635   1HB   TYR  77          2HB       TYR  77  13.975  -0.483   4.313
  636   2HB   TYR  77          1HB       TYR  77  13.257  -0.437   5.925
  637    HD1  TYR  77           1HD      TYR  77  13.094   1.594   7.154
  638    HD2  TYR  77           2HD      TYR  77  15.399   1.447   3.534
  639    HE1  TYR  77           1HE      TYR  77  13.290   4.064   7.180
  640    HE2  TYR  77           2HE      TYR  77  15.594   3.921   3.559
  641    HH   TYR  77           HH       TYR  77  15.042   5.793   4.598
  642    H    LYS  78           H        LYS  78  14.056  -2.837   6.551
  643    HA   LYS  78           HA       LYS  78  15.689  -4.667   4.839
  644   1HB   LYS  78          2HB       LYS  78  13.778  -5.440   7.059
  645   2HB   LYS  78          1HB       LYS  78  15.002  -6.452   6.291
  646   1HG   LYS  78          2HG       LYS  78  15.579  -3.973   7.941
  647   2HG   LYS  78          1HG       LYS  78  15.750  -5.633   8.510
  648   1HD   LYS  78          2HD       LYS  78  17.298  -5.967   6.461
  649   2HD   LYS  78          1HD       LYS  78  17.352  -4.205   6.389
  650   1HE   LYS  78          2HE       LYS  78  19.216  -4.828   7.731
  651   2HE   LYS  78          1HE       LYS  78  17.989  -4.274   8.870
  652   1HZ   LYS  78          1HZ       LYS  78  18.116  -7.117   8.125
  653   2HZ   LYS  78          2HZ       LYS  78  17.522  -6.403   9.548
  654   3HZ   LYS  78          3HZ       LYS  78  19.197  -6.506   9.281
  655    H    LEU  79           H        LEU  79  14.548  -6.177   3.491
  656    HA   LEU  79           HA       LEU  79  11.968  -5.123   2.529
  657   1HB   LEU  79          2HB       LEU  79  13.606  -5.714   0.844
  658   2HB   LEU  79          1HB       LEU  79  13.789  -7.329   1.524
  659    HG   LEU  79           HG       LEU  79  11.513  -7.909   0.910
  660   1HD1  LEU  79          1HD1      LEU  79  10.244  -5.950   1.228
  661   2HD1  LEU  79          2HD1      LEU  79  10.261  -6.128  -0.525
  662   3HD1  LEU  79          3HD1      LEU  79  11.341  -4.970   0.253
  663   1HD2  LEU  79          1HD2      LEU  79  13.354  -7.995  -0.828
  664   2HD2  LEU  79          2HD2      LEU  79  12.762  -6.448  -1.433
  665   3HD2  LEU  79          3HD2      LEU  79  11.725  -7.874  -1.491
  666    H    SER  80           H        SER  80  10.045  -5.977   3.133
  667    HA   SER  80           HA       SER  80   9.890  -8.831   3.930
  668   1HB   SER  80          2HB       SER  80  10.112  -7.979   6.098
  669   2HB   SER  80          1HB       SER  80   9.301  -6.468   5.692
  670    HG   SER  80           HG       SER  80   7.970  -8.958   5.582
  671    H    SER  81           H        SER  81   8.246  -9.643   2.721
  672    HA   SER  81           HA       SER  81   5.785  -7.991   2.377
  673   1HB   SER  81          2HB       SER  81   6.792  -9.602   0.054
  674   2HB   SER  81          1HB       SER  81   5.765  -8.170   0.058
  675    HG   SER  81           HG       SER  81   8.555  -8.363   0.511
  676    H    SER  82           H        SER  82   3.884  -9.296   1.874
  677    HA   SER  82           HA       SER  82   4.076 -12.205   1.882
  678   1HB   SER  82          2HB       SER  82   2.941 -12.579   4.010
  679   2HB   SER  82          1HB       SER  82   4.415 -11.659   4.300
  680    HG   SER  82           HG       SER  82   2.811  -9.792   3.941
  681    H    THR  83           H        THR  83   1.868 -13.186   1.794
  682    HA   THR  83           HA       THR  83   0.003 -11.307   0.452
  683    HB   THR  83           HB       THR  83  -0.877 -13.832  -0.107
  684    HG1  THR  83           1HG      THR  83   0.640 -15.170   0.356
  685   1HG2  THR  83          1HG2      THR  83  -0.428 -12.041  -1.730
  686   2HG2  THR  83          2HG2      THR  83   0.316 -13.553  -2.253
  687   3HG2  THR  83          3HG2      THR  83   1.305 -12.290  -1.521
  688    H    ASN  84           H        ASN  84  -1.700 -10.692   1.675
  689    HA   ASN  84           HA       ASN  84  -3.241 -12.686   3.167
  690   1HB   ASN  84          2HB       ASN  84  -1.516 -12.180   4.830
  691   2HB   ASN  84          1HB       ASN  84  -1.813 -10.451   4.642
  692   1HD2  ASN  84          1HD2      ASN  84  -2.634 -10.052   6.773
  693   2HD2  ASN  84          2HD2      ASN  84  -4.076 -10.740   7.346
  694    H    THR  85           H        THR  85  -5.305 -11.755   3.940
  695    HA   THR  85           HA       THR  85  -6.368  -9.808   2.128
  696    HB   THR  85           HB       THR  85  -7.907 -10.004   4.592
  697    HG1  THR  85           1HG      THR  85  -7.117 -12.443   3.391
  698   1HG2  THR  85          1HG2      THR  85  -9.494 -11.186   3.002
  699   2HG2  THR  85          2HG2      THR  85  -8.265 -10.998   1.755
  700   3HG2  THR  85          3HG2      THR  85  -8.995  -9.575   2.499
  701    H    ILE  86           H        ILE  86  -7.339  -7.672   2.905
  702    HA   ILE  86           HA       ILE  86  -5.965  -6.503   5.243
  703    HB   ILE  86           HB       ILE  86  -4.587  -5.054   4.126
  704   1HG1  ILE  86          2HG1      ILE  86  -6.485  -3.836   3.045
  705   2HG1  ILE  86          1HG1      ILE  86  -5.083  -3.975   1.996
  706   1HG2  ILE  86          1HG2      ILE  86  -3.902  -7.222   3.269
  707   2HG2  ILE  86          2HG2      ILE  86  -3.729  -6.018   1.996
  708   3HG2  ILE  86          3HG2      ILE  86  -5.095  -7.129   1.975
  709   1HD1  ILE  86          1HD1      ILE  86  -7.467  -4.540   1.042
  710   2HD1  ILE  86          2HD1      ILE  86  -7.218  -6.083   1.853
  711   3HD1  ILE  86          3HD1      ILE  86  -6.090  -5.551   0.609
  712    H    CYS  87           H        CYS  87  -6.800  -4.251   5.671
  713    HA   CYS  87           HA       CYS  87  -9.628  -4.003   4.718
  714   1HB   CYS  87          2HB       CYS  87  -9.750  -4.418   7.041
  715   2HB   CYS  87          1HB       CYS  87  -8.316  -3.459   7.381
  716    H    ILE  88           H        ILE  88 -10.109  -2.119   3.661
  717    HA   ILE  88           HA       ILE  88  -8.329   0.232   4.047
  718    HB   ILE  88           HB       ILE  88  -7.238  -0.340   2.128
  719   1HG1  ILE  88          2HG1      ILE  88  -9.852   0.322   0.742
  720   2HG1  ILE  88          1HG1      ILE  88  -8.784   1.544   1.429
  721   1HG2  ILE  88          1HG2      ILE  88  -8.144  -2.605   2.123
  722   2HG2  ILE  88          2HG2      ILE  88  -8.142  -1.970   0.480
  723   3HG2  ILE  88          3HG2      ILE  88  -9.644  -2.033   1.400
  724   1HD1  ILE  88          1HD1      ILE  88  -7.167  -0.192  -0.156
  725   2HD1  ILE  88          2HD1      ILE  88  -7.549   1.503  -0.447
  726   3HD1  ILE  88          3HD1      ILE  88  -8.583   0.241  -1.114
  727    H    THR  89           H        THR  89  -9.344   2.244   3.303
  728    HA   THR  89           HA       THR  89 -12.319   2.016   3.329
  729    HB   THR  89           HB       THR  89 -10.381   4.138   4.186
  730    HG1  THR  89           1HG      THR  89 -11.290   3.753   6.049
  731   1HG2  THR  89          1HG2      THR  89 -13.223   4.540   3.262
  732   2HG2  THR  89          2HG2      THR  89 -11.793   5.485   2.850
  733   3HG2  THR  89          3HG2      THR  89 -12.491   5.603   4.465
  734    H    CYS  90           H        CYS  90 -13.405   2.419   1.507
  735    HA   CYS  90           HA       CYS  90 -12.105   4.044  -0.645
  736   1HB   CYS  90          2HB       CYS  90 -12.159   1.494  -1.022
  737   2HB   CYS  90          1HB       CYS  90 -13.906   1.673  -1.170
  738    H    VAL  91           H        VAL  91 -13.578   5.330  -1.883
  739    HA   VAL  91           HA       VAL  91 -16.128   5.867  -0.488
  740    HB   VAL  91           HB       VAL  91 -14.428   7.670  -1.178
  741   1HG1  VAL  91          1HG1      VAL  91 -14.508   6.529  -3.624
  742   2HG1  VAL  91          2HG1      VAL  91 -14.127   8.233  -3.379
  743   3HG1  VAL  91          3HG1      VAL  91 -15.757   7.756  -3.845
  744   1HG2  VAL  91          1HG2      VAL  91 -17.388   7.668  -1.508
  745   2HG2  VAL  91          2HG2      VAL  91 -16.537   9.049  -2.195
  746   3HG2  VAL  91          3HG2      VAL  91 -16.368   8.675  -0.482
  747    H    ASN  92           H        ASN  92 -17.180   7.033  -3.099
  748    HA   ASN  92           HA       ASN  92 -18.938   5.038  -3.864
  749   1HB   ASN  92          2HB       ASN  92 -17.740   7.289  -5.466
  750   2HB   ASN  92          1HB       ASN  92 -18.990   6.236  -6.129
  751   1HD2  ASN  92          1HD2      ASN  92 -21.153   6.631  -5.494
  752   2HD2  ASN  92          2HD2      ASN  92 -21.601   7.799  -4.348
  753    H    GLN  93           H        GLN  93 -15.745   5.633  -5.146
  754    HA   GLN  93           HA       GLN  93 -15.280   2.880  -5.774
  755   1HB   GLN  93          2HB       GLN  93 -15.250   3.078  -8.266
  756   2HB   GLN  93          1HB       GLN  93 -16.871   3.232  -7.586
  757   1HG   GLN  93          2HG       GLN  93 -16.462   5.767  -7.594
  758   2HG   GLN  93          1HG       GLN  93 -15.067   5.427  -8.618
  759   1HE2  GLN  93          1HE2      GLN  93 -18.523   4.361  -8.474
  760   2HE2  GLN  93          2HE2      GLN  93 -18.787   4.518 -10.143
  761    H    LEU  94           H        LEU  94 -13.768   4.715  -4.426
  762    HA   LEU  94           HA       LEU  94 -11.334   4.835  -6.097
  763   1HB   LEU  94          2HB       LEU  94 -12.663   7.257  -4.863
  764   2HB   LEU  94          1HB       LEU  94 -10.947   7.231  -5.250
  765    HG   LEU  94           HG       LEU  94 -12.031   6.313  -7.605
  766   1HD1  LEU  94          1HD1      LEU  94 -14.020   7.458  -8.141
  767   2HD1  LEU  94          2HD1      LEU  94 -13.855   8.569  -6.781
  768   3HD1  LEU  94          3HD1      LEU  94 -14.316   6.892  -6.499
  769   1HD2  LEU  94          1HD2      LEU  94 -11.734   8.717  -8.376
  770   2HD2  LEU  94          2HD2      LEU  94 -10.348   8.025  -7.534
  771   3HD2  LEU  94          3HD2      LEU  94 -11.427   9.136  -6.691
  772    HA   PRO  95           HA       PRO  95 -10.242   3.578  -1.863
  773   1HB   PRO  95          2HB       PRO  95  -7.794   2.520  -2.472
  774   2HB   PRO  95          1HB       PRO  95  -9.318   1.651  -2.735
  775   1HG   PRO  95          2HG       PRO  95  -7.580   3.053  -4.686
  776   2HG   PRO  95          1HG       PRO  95  -8.549   1.585  -4.883
  777   1HD   PRO  95          2HD       PRO  95  -9.295   4.096  -5.803
  778   2HD   PRO  95          1HD       PRO  95 -10.427   2.762  -5.492
  779    H    ILE  96           H        ILE  96  -9.354   5.004  -0.360
  780    HA   ILE  96           HA       ILE  96  -6.997   6.609  -1.238
  781    HB   ILE  96           HB       ILE  96  -8.027   8.620  -0.229
  782   1HG1  ILE  96          2HG1      ILE  96 -10.698   8.202  -0.042
  783   2HG1  ILE  96          1HG1      ILE  96 -10.137   6.604   0.441
  784   1HG2  ILE  96          1HG2      ILE  96  -8.434   7.651  -2.704
  785   2HG2  ILE  96          2HG2      ILE  96  -9.191   9.143  -2.154
  786   3HG2  ILE  96          3HG2      ILE  96 -10.103   7.634  -2.142
  787   1HD1  ILE  96          1HD1      ILE  96  -9.820   9.225   1.817
  788   2HD1  ILE  96          2HD1      ILE  96  -8.487   8.084   1.961
  789   3HD1  ILE  96          3HD1      ILE  96 -10.101   7.625   2.497
  790    H    HIS  97           H        HIS  97  -8.419   4.691   1.266
  791    HA   HIS  97           HA       HIS  97  -6.223   5.675   3.057
  792   1HB   HIS  97          2HB       HIS  97  -9.086   5.813   3.530
  793   2HB   HIS  97          1HB       HIS  97  -8.294   4.846   4.773
  794    HD1  HIS  97           1HD      HIS  97  -5.617   6.308   5.024
  795    HD2  HIS  97           2HD      HIS  97  -9.277   8.293   4.764
  796    HE1  HIS  97           1HE      HIS  97  -5.262   8.603   6.041
  797    HE2  HIS  97           2HE      HIS  97  -7.484   9.818   5.888
  798    H    PHE  98           H        PHE  98  -4.978   4.087   3.837
  799    HA   PHE  98           HA       PHE  98  -5.819   1.271   3.381
  800   1HB   PHE  98          2HB       PHE  98  -3.632   1.804   2.502
  801   2HB   PHE  98          1HB       PHE  98  -3.144   2.549   4.024
  802    HD1  PHE  98           1HD      PHE  98  -1.919   1.267   5.547
  803    HD2  PHE  98           2HD      PHE  98  -4.462  -0.710   2.704
  804    HE1  PHE  98           1HE      PHE  98  -1.111  -0.934   6.354
  805    HE2  PHE  98           2HE      PHE  98  -3.653  -2.911   3.513
  806    HZ   PHE  98           HZ       PHE  98  -1.977  -3.023   5.337
  807    H    ALA  99           H        ALA  99  -6.830   0.350   5.104
  808    HA   ALA  99           HA       ALA  99  -6.683   1.415   7.775
  809   1HB   ALA  99          1HB       ALA  99  -8.450  -0.181   6.548
  810   2HB   ALA  99          2HB       ALA  99  -8.270  -0.177   8.302
  811   3HB   ALA  99          3HB       ALA  99  -7.487  -1.426   7.338
  812    H    GLY 100           H        GLY 100  -5.661  -1.853   6.698
  813   1HA   GLY 100          2HA       GLY 100  -3.010  -1.631   7.770
  814   2HA   GLY 100          1HA       GLY 100  -4.059  -2.417   8.950
  815    H    VAL 101           H        VAL 101  -2.815  -4.390   8.653
  816    HA   VAL 101           HA       VAL 101  -3.243  -5.743   6.018
  817    HB   VAL 101           HB       VAL 101  -1.301  -6.375   8.263
  818   1HG1  VAL 101          1HG1      VAL 101  -1.822  -7.660   5.570
  819   2HG1  VAL 101          2HG1      VAL 101  -1.887  -8.424   7.158
  820   3HG1  VAL 101          3HG1      VAL 101  -0.336  -7.918   6.486
  821   1HG2  VAL 101          1HG2      VAL 101   0.401  -5.631   6.629
  822   2HG2  VAL 101          2HG2      VAL 101  -0.735  -4.332   6.993
  823   3HG2  VAL 101          3HG2      VAL 101  -0.877  -5.230   5.482
  824    H    GLY 102           H        GLY 102  -4.411  -7.648   5.947
  825   1HA   GLY 102          2HA       GLY 102  -5.552  -9.558   6.790
  826   2HA   GLY 102          1HA       GLY 102  -5.087  -9.082   8.422
  827    H    SER 103           H        SER 103  -7.440  -9.638   8.826
  828    HA   SER 103           HA       SER 103  -9.556  -8.046   7.740
  829   1HB   SER 103          2HB       SER 103 -10.868  -8.852   9.669
  830   2HB   SER 103          1HB       SER 103  -9.957 -10.167   8.933
  831    HG   SER 103           HG       SER 103  -9.895  -9.388  11.430
  832    H    CYS 104           H        CYS 104 -10.401  -6.079   8.395
  833    HA   CYS 104           HA       CYS 104  -8.823  -4.116   9.563
  834   1HB   CYS 104          2HB       CYS 104 -11.441  -4.261   8.628
  835   2HB   CYS 104          1HB       CYS 104 -11.646  -3.805  10.317
  836    HA   PRO 105           HA       PRO 105  -8.118  -5.023  13.847
  837   1HB   PRO 105          2HB       PRO 105  -9.300  -2.293  14.270
  838   2HB   PRO 105          1HB       PRO 105  -7.825  -3.000  14.964
  839   1HG   PRO 105          2HG       PRO 105  -7.756  -1.275  12.906
  840   2HG   PRO 105          1HG       PRO 105  -6.581  -2.589  13.088
  841   1HD   PRO 105          2HD       PRO 105  -8.735  -2.299  11.093
  842   2HD   PRO 105          1HD       PRO 105  -7.311  -3.362  11.063
  Start of MODEL   14
    1    HN   PCA   1           H        PCA   1  -6.691   9.133   1.317
    2    HA   PCA   1           HA       PCA   1  -8.017  11.276   1.932
    3   1HB   PCA   1          1HB       PCA   1  -6.584  12.595   3.116
    4   2HB   PCA   1          2HB       PCA   1  -6.007  13.145   1.560
    5   1HG   PCA   1          1HG       PCA   1  -4.598  11.790   3.369
    6   2HG   PCA   1          2HG       PCA   1  -4.270  11.828   1.622
    7    H    ASP   2           H        ASP   2  -6.461   9.819  -0.511
    8    HA   ASP   2           HA       ASP   2  -7.989  11.088  -2.539
    9   1HB   ASP   2          2HB       ASP   2  -5.513  12.453  -1.837
   10   2HB   ASP   2          1HB       ASP   2  -5.462  11.898  -3.509
   11    H    TRP   3           H        TRP   3  -8.065   9.606  -4.189
   12    HA   TRP   3           HA       TRP   3  -6.692   7.153  -4.034
   13   1HB   TRP   3          2HB       TRP   3  -8.627   7.138  -5.366
   14   2HB   TRP   3          1HB       TRP   3  -8.127   8.562  -6.271
   15    HD1  TRP   3           HD       TRP   3  -7.922   7.724  -8.656
   16    HE1  TRP   3           1HE      TRP   3  -6.618   5.848  -9.842
   17    HE3  TRP   3           3HE      TRP   3  -6.039   5.225  -4.599
   18    HZ2  TRP   3           2HZ      TRP   3  -5.001   3.595  -9.172
   19    HZ3  TRP   3           3HZ      TRP   3  -4.626   3.227  -4.911
   20    HH2  TRP   3           HH       TRP   3  -4.105   2.403  -7.191
   21    H    GLU   4           H        GLU   4  -5.766  10.174  -5.567
   22    HA   GLU   4           HA       GLU   4  -3.626   9.175  -7.174
   23   1HB   GLU   4          2HB       GLU   4  -3.847  11.856  -5.767
   24   2HB   GLU   4          1HB       GLU   4  -2.752  11.480  -7.098
   25   1HG   GLU   4          2HG       GLU   4  -4.634  11.053  -8.585
   26   2HG   GLU   4          1HG       GLU   4  -5.773  11.280  -7.257
   27    H    THR   5           H        THR   5  -3.041  11.098  -4.221
   28    HA   THR   5           HA       THR   5  -0.464  10.112  -3.737
   29    HB   THR   5           HB       THR   5  -1.343  11.985  -2.468
   30    HG1  THR   5           1HG      THR   5  -0.473  11.412  -0.557
   31   1HG2  THR   5          1HG2      THR   5  -3.083  10.098  -0.895
   32   2HG2  THR   5          2HG2      THR   5  -3.694  10.884  -2.349
   33   3HG2  THR   5          3HG2      THR   5  -3.162  11.856  -0.977
   34    H    PHE   6           H        PHE   6  -3.538   8.868  -2.376
   35    HA   PHE   6           HA       PHE   6  -2.518   6.722  -0.908
   36   1HB   PHE   6          2HB       PHE   6  -4.964   7.442  -1.186
   37   2HB   PHE   6          1HB       PHE   6  -4.970   6.476  -2.660
   38    HD1  PHE   6           1HD      PHE   6  -5.339   4.156  -2.557
   39    HD2  PHE   6           2HD      PHE   6  -4.174   6.279   0.991
   40    HE1  PHE   6           1HE      PHE   6  -5.693   2.103  -1.214
   41    HE2  PHE   6           2HE      PHE   6  -4.525   4.225   2.332
   42    HZ   PHE   6           HZ       PHE   6  -5.288   2.137   1.232
   43    H    GLN   7           H        GLN   7  -2.564   7.191  -4.346
   44    HA   GLN   7           HA       GLN   7  -1.975   4.342  -4.882
   45   1HB   GLN   7          2HB       GLN   7  -3.405   5.623  -6.465
   46   2HB   GLN   7          1HB       GLN   7  -2.057   6.710  -6.780
   47   1HG   GLN   7          2HG       GLN   7  -1.708   3.742  -7.133
   48   2HG   GLN   7          1HG       GLN   7  -2.468   4.701  -8.403
   49   1HE2  GLN   7          1HE2      GLN   7  -0.954   7.100  -8.203
   50   2HE2  GLN   7          2HE2      GLN   7   0.658   6.767  -8.613
   51    H    LYS   8           H        LYS   8  -0.339   7.330  -4.301
   52    HA   LYS   8           HA       LYS   8   2.161   6.414  -5.579
   53   1HB   LYS   8          2HB       LYS   8   1.699   8.879  -3.883
   54   2HB   LYS   8          1HB       LYS   8   3.027   8.589  -5.006
   55   1HG   LYS   8          2HG       LYS   8   0.209   8.453  -6.042
   56   2HG   LYS   8          1HG       LYS   8   0.929  10.033  -5.753
   57   1HD   LYS   8          2HD       LYS   8   2.508   7.984  -7.280
   58   2HD   LYS   8          1HD       LYS   8   1.209   8.843  -8.104
   59   1HE   LYS   8          2HE       LYS   8   3.268  10.359  -6.509
   60   2HE   LYS   8          1HE       LYS   8   3.600   9.870  -8.170
   61   1HZ   LYS   8          1HZ       LYS   8   1.643  11.030  -8.902
   62   2HZ   LYS   8          2HZ       LYS   8   2.624  12.098  -8.016
   63   3HZ   LYS   8          3HZ       LYS   8   1.229  11.434  -7.307
   64    H    LYS   9           H        LYS   9   1.147   7.295  -2.241
   65    HA   LYS   9           HA       LYS   9   3.654   6.202  -1.187
   66   1HB   LYS   9          2HB       LYS   9   2.731   6.867   1.017
   67   2HB   LYS   9          1HB       LYS   9   2.699   8.189  -0.148
   68   1HG   LYS   9          2HG       LYS   9   0.283   7.372  -0.672
   69   2HG   LYS   9          1HG       LYS   9   0.406   6.520   0.867
   70   1HD   LYS   9          2HD       LYS   9   1.019   8.678   1.967
   71   2HD   LYS   9          1HD       LYS   9   0.749   9.500   0.429
   72   1HE   LYS   9          2HE       LYS   9  -1.596   8.361   0.501
   73   2HE   LYS   9          1HE       LYS   9  -1.257   8.143   2.219
   74   1HZ   LYS   9          1HZ       LYS   9  -2.095  10.469   0.878
   75   2HZ   LYS   9          2HZ       LYS   9  -0.563  10.754   1.558
   76   3HZ   LYS   9          3HZ       LYS   9  -1.849  10.235   2.540
   77    H    HIS  10           H        HIS  10   0.183   5.348  -0.713
   78    HA   HIS  10           HA       HIS  10   0.869   2.960   0.772
   79   1HB   HIS  10          2HB       HIS  10  -1.682   3.938  -0.503
   80   2HB   HIS  10          1HB       HIS  10  -1.585   2.369   0.292
   81    HD1  HIS  10           1HD      HIS  10  -0.898   2.405   2.877
   82    HD2  HIS  10           2HD      HIS  10  -1.867   6.118   1.244
   83    HE1  HIS  10           1HE      HIS  10  -1.283   3.971   4.833
   84    HE2  HIS  10           2HE      HIS  10  -1.874   6.232   3.849
   85    H    LEU  11           H        LEU  11   0.898   3.605  -2.607
   86    HA   LEU  11           HA       LEU  11   0.993   0.640  -3.109
   87   1HB   LEU  11          2HB       LEU  11  -0.429   2.825  -4.562
   88   2HB   LEU  11          1HB       LEU  11   0.302   1.558  -5.539
   89    HG   LEU  11           HG       LEU  11  -0.896  -0.142  -4.177
   90   1HD1  LEU  11          1HD1      LEU  11  -1.789   2.337  -2.752
   91   2HD1  LEU  11          2HD1      LEU  11  -1.405   0.747  -2.102
   92   3HD1  LEU  11          3HD1      LEU  11  -2.944   1.013  -2.910
   93   1HD2  LEU  11          1HD2      LEU  11  -1.825   0.769  -6.304
   94   2HD2  LEU  11          2HD2      LEU  11  -2.720   1.963  -5.363
   95   3HD2  LEU  11          3HD2      LEU  11  -3.077   0.246  -5.177
   96    H    THR  12           H        THR  12   2.491  -0.046  -4.718
   97    HA   THR  12           HA       THR  12   4.468   2.027  -5.583
   98    HB   THR  12           HB       THR  12   5.552   0.942  -3.740
   99    HG1  THR  12           1HG      THR  12   6.714  -0.646  -5.616
  100   1HG2  THR  12          1HG2      THR  12   5.599  -1.798  -4.679
  101   2HG2  THR  12          2HG2      THR  12   3.937  -1.267  -4.432
  102   3HG2  THR  12          3HG2      THR  12   5.098  -1.175  -3.111
  103    H    ASP  13           H        ASP  13   6.140   0.284  -7.039
  104    HA   ASP  13           HA       ASP  13   4.222  -0.756  -9.097
  105   1HB   ASP  13          2HB       ASP  13   6.892   0.628  -9.446
  106   2HB   ASP  13          1HB       ASP  13   6.013  -0.159 -10.758
  107    H    THR  14           H        THR  14   5.979  -2.072  -6.801
  108    HA   THR  14           HA       THR  14   6.591  -4.433  -8.420
  109    HB   THR  14           HB       THR  14   8.611  -3.030  -8.776
  110    HG1  THR  14           1HG      THR  14  10.030  -4.685  -7.570
  111   1HG2  THR  14          1HG2      THR  14  10.044  -2.455  -6.912
  112   2HG2  THR  14          2HG2      THR  14   8.995  -3.315  -5.786
  113   3HG2  THR  14          3HG2      THR  14   8.426  -1.842  -6.571
  114    H    LYS  15           H        LYS  15   7.125  -6.287  -7.083
  115    HA   LYS  15           HA       LYS  15   5.833  -6.198  -4.481
  116   1HB   LYS  15          2HB       LYS  15   6.348  -8.574  -4.370
  117   2HB   LYS  15          1HB       LYS  15   5.781  -8.197  -5.996
  118   1HG   LYS  15          2HG       LYS  15   8.252  -7.895  -6.618
  119   2HG   LYS  15          1HG       LYS  15   8.621  -8.675  -5.079
  120   1HD   LYS  15          2HD       LYS  15   6.853  -9.877  -7.230
  121   2HD   LYS  15          1HD       LYS  15   8.550 -10.289  -6.985
  122   1HE   LYS  15          2HE       LYS  15   7.889 -10.830  -4.555
  123   2HE   LYS  15          1HE       LYS  15   6.222 -10.789  -5.128
  124   1HZ   LYS  15          1HZ       LYS  15   8.269 -12.767  -5.568
  125   2HZ   LYS  15          2HZ       LYS  15   7.446 -12.312  -6.984
  126   3HZ   LYS  15          3HZ       LYS  15   6.582 -12.915  -5.651
  127    H    LYS  16           H        LYS  16   9.081  -5.881  -5.663
  128    HA   LYS  16           HA       LYS  16  10.113  -5.935  -2.848
  129   1HB   LYS  16          2HB       LYS  16  12.369  -6.161  -4.256
  130   2HB   LYS  16          1HB       LYS  16  11.385  -7.579  -3.889
  131   1HG   LYS  16          2HG       LYS  16  10.524  -7.719  -6.049
  132   2HG   LYS  16          1HG       LYS  16  10.782  -6.005  -6.376
  133   1HD   LYS  16          2HD       LYS  16  13.095  -6.296  -6.727
  134   2HD   LYS  16          1HD       LYS  16  13.106  -7.873  -5.936
  135   1HE   LYS  16          2HE       LYS  16  11.914  -8.888  -7.761
  136   2HE   LYS  16          1HE       LYS  16  11.586  -7.318  -8.495
  137   1HZ   LYS  16          1HZ       LYS  16  13.986  -8.930  -8.575
  138   2HZ   LYS  16          2HZ       LYS  16  14.255  -7.276  -8.295
  139   3HZ   LYS  16          3HZ       LYS  16  13.412  -7.779  -9.682
  140    H    VAL  17           H        VAL  17   9.100  -3.621  -3.074
  141    HA   VAL  17           HA       VAL  17  10.153  -1.617  -4.728
  142    HB   VAL  17           HB       VAL  17   9.605  -0.020  -2.933
  143   1HG1  VAL  17          1HG1      VAL  17   7.291  -0.400  -2.966
  144   2HG1  VAL  17          2HG1      VAL  17   7.491  -2.150  -2.909
  145   3HG1  VAL  17          3HG1      VAL  17   7.865  -1.272  -4.387
  146   1HG2  VAL  17          1HG2      VAL  17   8.608  -1.084  -0.810
  147   2HG2  VAL  17          2HG2      VAL  17  10.365  -1.107  -0.959
  148   3HG2  VAL  17          3HG2      VAL  17   9.432  -2.562  -1.306
  149    H    LYS  18           H        LYS  18  11.633   0.166  -4.004
  150    HA   LYS  18           HA       LYS  18  14.099  -1.055  -2.886
  151   1HB   LYS  18          2HB       LYS  18  15.213   1.009  -3.805
  152   2HB   LYS  18          1HB       LYS  18  14.438   0.022  -5.040
  153   1HG   LYS  18          2HG       LYS  18  12.810   2.196  -3.769
  154   2HG   LYS  18          1HG       LYS  18  14.049   2.668  -4.926
  155   1HD   LYS  18          2HD       LYS  18  12.227   0.421  -5.685
  156   2HD   LYS  18          1HD       LYS  18  11.569   2.056  -5.704
  157   1HE   LYS  18          2HE       LYS  18  12.693   1.144  -7.873
  158   2HE   LYS  18          1HE       LYS  18  13.080   2.783  -7.349
  159   1HZ   LYS  18          1HZ       LYS  18  15.140   1.851  -7.750
  160   2HZ   LYS  18          2HZ       LYS  18  14.706   0.334  -7.123
  161   3HZ   LYS  18          3HZ       LYS  18  14.975   1.643  -6.075
  162    H    CYS  19           H        CYS  19  12.638  -0.848  -0.843
  163    HA   CYS  19           HA       CYS  19  11.787   1.285   0.527
  164   1HB   CYS  19          2HB       CYS  19  13.740  -0.782   1.562
  165   2HB   CYS  19          1HB       CYS  19  12.875   0.350   2.602
  166    H    ASP  20           H        ASP  20  15.201   0.746  -0.237
  167    HA   ASP  20           HA       ASP  20  16.407   2.679   1.412
  168   1HB   ASP  20          2HB       ASP  20  17.766   1.196   0.057
  169   2HB   ASP  20          1HB       ASP  20  17.089   1.867  -1.428
  170    H    VAL  21           H        VAL  21  14.851   3.075  -1.751
  171    HA   VAL  21           HA       VAL  21  15.074   6.032  -1.444
  172    HB   VAL  21           HB       VAL  21  13.922   4.810  -3.903
  173   1HG1  VAL  21          1HG1      VAL  21  14.843   6.682  -4.946
  174   2HG1  VAL  21          2HG1      VAL  21  16.158   6.811  -3.779
  175   3HG1  VAL  21          3HG1      VAL  21  14.531   7.316  -3.331
  176   1HG2  VAL  21          1HG2      VAL  21  15.746   3.252  -3.464
  177   2HG2  VAL  21          2HG2      VAL  21  16.850   4.589  -3.146
  178   3HG2  VAL  21          3HG2      VAL  21  16.222   4.333  -4.774
  179    H    GLU  22           H        GLU  22  12.779   3.355  -1.775
  180    HA   GLU  22           HA       GLU  22  10.388   4.812  -2.114
  181   1HB   GLU  22          2HB       GLU  22  11.084   2.143  -1.504
  182   2HB   GLU  22          1HB       GLU  22  10.010   2.651  -0.204
  183   1HG   GLU  22          2HG       GLU  22   9.449   2.675  -3.182
  184   2HG   GLU  22          1HG       GLU  22   8.613   1.752  -1.935
  185    H    MET  23           H        MET  23  12.616   4.893   0.422
  186    HA   MET  23           HA       MET  23  10.632   6.260   2.210
  187   1HB   MET  23          2HB       MET  23  13.041   4.586   2.984
  188   2HB   MET  23          1HB       MET  23  12.045   5.502   4.116
  189   1HG   MET  23          2HG       MET  23  10.100   4.171   3.587
  190   2HG   MET  23          1HG       MET  23  10.949   3.367   2.268
  191   1HE   MET  23          1HE       MET  23  10.861   4.351   5.779
  192   2HE   MET  23          2HE       MET  23  11.683   3.123   6.737
  193   3HE   MET  23          3HE       MET  23  10.053   2.821   6.147
  194    H    ALA  24           H        ALA  24  14.097   6.061   1.321
  195    HA   ALA  24           HA       ALA  24  14.796   8.539   2.599
  196   1HB   ALA  24          1HB       ALA  24  16.412   6.738   1.860
  197   2HB   ALA  24          2HB       ALA  24  16.878   8.374   1.396
  198   3HB   ALA  24          3HB       ALA  24  16.164   7.289   0.203
  199    H    LYS  25           H        LYS  25  12.672   8.062   0.167
  200    HA   LYS  25           HA       LYS  25  13.343   9.931  -1.854
  201   1HB   LYS  25          2HB       LYS  25  10.816   8.759  -0.783
  202   2HB   LYS  25          1HB       LYS  25  10.653  10.196  -1.784
  203   1HG   LYS  25          2HG       LYS  25  11.312   9.121  -3.692
  204   2HG   LYS  25          1HG       LYS  25  12.499   8.133  -2.851
  205   1HD   LYS  25          2HD       LYS  25  10.952   6.509  -3.385
  206   2HD   LYS  25          1HD       LYS  25  10.325   7.001  -1.812
  207   1HE   LYS  25          2HE       LYS  25   9.367   7.954  -4.527
  208   2HE   LYS  25          1HE       LYS  25   8.481   6.936  -3.392
  209   1HZ   LYS  25          1HZ       LYS  25   9.209   9.126  -1.932
  210   2HZ   LYS  25          2HZ       LYS  25   7.667   8.811  -2.570
  211   3HZ   LYS  25          3HZ       LYS  25   8.766   9.774  -3.435
  212    H    ALA  26           H        ALA  26  11.212  11.827  -1.786
  213    HA   ALA  26           HA       ALA  26  12.178  13.619   0.404
  214   1HB   ALA  26          1HB       ALA  26  12.556  14.397  -1.929
  215   2HB   ALA  26          2HB       ALA  26  11.480  15.469  -1.034
  216   3HB   ALA  26          3HB       ALA  26  10.815  14.335  -2.209
  217    H    LEU  27           H        LEU  27   9.433  11.854  -0.699
  218    HA   LEU  27           HA       LEU  27   7.544  13.656   0.713
  219   1HB   LEU  27          2HB       LEU  27   5.827  12.566  -0.399
  220   2HB   LEU  27          1HB       LEU  27   7.140  12.342  -1.546
  221    HG   LEU  27           HG       LEU  27   7.592  10.125  -0.221
  222   1HD1  LEU  27          1HD1      LEU  27   6.175   9.773   1.510
  223   2HD1  LEU  27          2HD1      LEU  27   4.924   9.476   0.310
  224   3HD1  LEU  27          3HD1      LEU  27   5.108  11.083   1.008
  225   1HD2  LEU  27          1HD2      LEU  27   5.108  10.368  -1.947
  226   2HD2  LEU  27          2HD2      LEU  27   6.106   8.930  -1.736
  227   3HD2  LEU  27          3HD2      LEU  27   6.754  10.338  -2.578
  228    H    PHE  28           H        PHE  28   9.604  11.166   1.515
  229    HA   PHE  28           HA       PHE  28   7.875  10.334   3.823
  230   1HB   PHE  28          2HB       PHE  28  10.036   8.857   2.314
  231   2HB   PHE  28          1HB       PHE  28   9.478   8.338   3.901
  232    HD1  PHE  28           1HD      PHE  28   8.909   8.113   0.400
  233    HD2  PHE  28           2HD      PHE  28   6.882   8.095   4.187
  234    HE1  PHE  28           1HE      PHE  28   6.968   6.979  -0.644
  235    HE2  PHE  28           2HE      PHE  28   4.940   6.960   3.142
  236    HZ   PHE  28           HZ       PHE  28   4.985   6.401   0.726
  237    H    ASP  29           H        ASP  29  11.188  11.159   2.811
  238    HA   ASP  29           HA       ASP  29  12.815  12.368   4.015
  239   1HB   ASP  29          2HB       ASP  29  10.608  13.222   5.267
  240   2HB   ASP  29          1HB       ASP  29  11.268  12.238   6.574
  241    H    CYS  30           H        CYS  30  13.017   9.632   3.685
  242    HA   CYS  30           HA       CYS  30  13.947   7.676   4.618
  243   1HB   CYS  30          2HB       CYS  30  15.900   9.147   4.578
  244   2HB   CYS  30          1HB       CYS  30  15.436   9.843   6.130
  245    H    LYS  31           H        LYS  31  11.592   7.700   5.729
  246    HA   LYS  31           HA       LYS  31  11.406   8.205   8.539
  247   1HB   LYS  31          2HB       LYS  31   9.894   6.043   7.057
  248   2HB   LYS  31          1HB       LYS  31   9.372   6.943   8.477
  249   1HG   LYS  31          2HG       LYS  31  10.037   8.546   6.047
  250   2HG   LYS  31          1HG       LYS  31   8.566   7.581   5.977
  251   1HD   LYS  31          2HD       LYS  31   9.238   9.550   8.182
  252   2HD   LYS  31          1HD       LYS  31   8.171   9.891   6.823
  253   1HE   LYS  31          2HE       LYS  31   7.088   7.552   7.756
  254   2HE   LYS  31          1HE       LYS  31   7.657   8.288   9.254
  255   1HZ   LYS  31          1HZ       LYS  31   6.051   9.791   9.169
  256   2HZ   LYS  31          2HZ       LYS  31   5.358   8.904   7.896
  257   3HZ   LYS  31          3HZ       LYS  31   6.405  10.201   7.561
  258    H    LYS  32           H        LYS  32  10.366   5.434   9.146
  259    HA   LYS  32           HA       LYS  32  12.946   3.942   9.341
  260   1HB   LYS  32          2HB       LYS  32  12.403   3.365  11.689
  261   2HB   LYS  32          1HB       LYS  32  12.620   5.102  11.484
  262   1HG   LYS  32          2HG       LYS  32  10.179   5.402  11.340
  263   2HG   LYS  32          1HG       LYS  32   9.948   3.664  11.527
  264   1HD   LYS  32          2HD       LYS  32  11.296   5.468  13.559
  265   2HD   LYS  32          1HD       LYS  32   9.641   4.870  13.675
  266   1HE   LYS  32          2HE       LYS  32  10.710   3.245  14.924
  267   2HE   LYS  32          1HE       LYS  32  10.866   2.513  13.327
  268   1HZ   LYS  32          1HZ       LYS  32  13.013   4.030  13.316
  269   2HZ   LYS  32          2HZ       LYS  32  13.022   2.458  13.962
  270   3HZ   LYS  32          3HZ       LYS  32  12.888   3.803  14.992
  271    H    THR  33           H        THR  33   9.432   3.938   9.317
  272    HA   THR  33           HA       THR  33   9.503   1.066   8.511
  273    HB   THR  33           HB       THR  33   7.378   2.218  10.337
  274    HG1  THR  33           1HG      THR  33   8.869   0.482  11.612
  275   1HG2  THR  33          1HG2      THR  33   8.184  -0.640   9.741
  276   2HG2  THR  33          2HG2      THR  33   6.855   0.200   8.941
  277   3HG2  THR  33          3HG2      THR  33   6.787  -0.106  10.677
  278    H    ASN  34           H        ASN  34   7.905   0.545   6.938
  279    HA   ASN  34           HA       ASN  34   5.876   2.525   6.207
  280   1HB   ASN  34          2HB       ASN  34   8.404   2.172   4.627
  281   2HB   ASN  34          1HB       ASN  34   6.900   2.514   3.774
  282   1HD2  ASN  34          1HD2      ASN  34   5.794   4.578   4.273
  283   2HD2  ASN  34          2HD2      ASN  34   6.650   5.862   4.980
  284    H    THR  35           H        THR  35   4.383   1.700   4.658
  285    HA   THR  35           HA       THR  35   4.757  -1.145   3.844
  286    HB   THR  35           HB       THR  35   2.262  -0.003   5.141
  287    HG1  THR  35           1HG      THR  35   4.169  -0.557   6.468
  288   1HG2  THR  35          1HG2      THR  35   1.616  -2.481   5.079
  289   2HG2  THR  35          2HG2      THR  35   2.932  -2.684   3.923
  290   3HG2  THR  35          3HG2      THR  35   1.577  -1.622   3.539
  291    H    PHE  36           H        PHE  36   3.475  -1.720   1.965
  292    HA   PHE  36           HA       PHE  36   1.927   0.417   0.642
  293   1HB   PHE  36          2HB       PHE  36   3.972  -0.741  -1.172
  294   2HB   PHE  36          1HB       PHE  36   3.341   0.898  -1.100
  295    HD1  PHE  36           1HD      PHE  36   5.472  -1.459   0.876
  296    HD2  PHE  36           2HD      PHE  36   4.722   2.596  -0.286
  297    HE1  PHE  36           1HE      PHE  36   7.534  -0.752   2.044
  298    HE2  PHE  36           2HE      PHE  36   6.781   3.313   0.891
  299    HZ   PHE  36           HZ       PHE  36   8.191   1.637   2.045
  300    H    ILE  37           H        ILE  37   1.211  -0.579  -1.652
  301    HA   ILE  37           HA       ILE  37   0.697  -3.496  -1.218
  302    HB   ILE  37           HB       ILE  37  -1.201  -1.497  -2.459
  303   1HG1  ILE  37          2HG1      ILE  37  -1.644  -2.826   0.206
  304   2HG1  ILE  37          1HG1      ILE  37  -0.650  -1.377   0.128
  305   1HG2  ILE  37          1HG2      ILE  37  -1.463  -4.403  -1.650
  306   2HG2  ILE  37          2HG2      ILE  37  -1.551  -3.745  -3.284
  307   3HG2  ILE  37          3HG2      ILE  37  -2.825  -3.386  -2.119
  308   1HD1  ILE  37          1HD1      ILE  37  -2.435  -0.031  -0.211
  309   2HD1  ILE  37          2HD1      ILE  37  -3.396  -1.397   0.351
  310   3HD1  ILE  37          3HD1      ILE  37  -3.167  -1.135  -1.377
  311    H    TYR  38           H        TYR  38   1.056  -4.820  -2.941
  312    HA   TYR  38           HA       TYR  38   2.151  -3.525  -5.393
  313   1HB   TYR  38          2HB       TYR  38   3.544  -5.271  -4.410
  314   2HB   TYR  38          1HB       TYR  38   2.193  -6.402  -4.432
  315    HD1  TYR  38           1HD      TYR  38   3.839  -4.051  -6.863
  316    HD2  TYR  38           2HD      TYR  38   2.253  -7.978  -6.139
  317    HE1  TYR  38           1HE      TYR  38   4.417  -4.713  -9.181
  318    HE2  TYR  38           2HE      TYR  38   2.835  -8.639  -8.457
  319    HH   TYR  38           HH       TYR  38   3.213  -7.496 -10.653
  320    H    ALA  39           H        ALA  39   0.323  -2.936  -6.584
  321    HA   ALA  39           HA       ALA  39  -1.189  -5.174  -7.777
  322   1HB   ALA  39          1HB       ALA  39  -2.431  -4.388  -5.680
  323   2HB   ALA  39          2HB       ALA  39  -3.357  -4.372  -7.180
  324   3HB   ALA  39          3HB       ALA  39  -2.701  -2.869  -6.532
  325    H    LEU  40           H        LEU  40  -2.182  -4.560  -9.790
  326    HA   LEU  40           HA       LEU  40  -0.862  -2.290 -11.056
  327   1HB   LEU  40          2HB       LEU  40  -1.414  -3.283 -13.049
  328   2HB   LEU  40          1HB       LEU  40  -1.588  -4.687 -12.004
  329    HG   LEU  40           HG       LEU  40  -4.081  -3.755 -11.763
  330   1HD1  LEU  40          1HD1      LEU  40  -4.866  -2.574 -13.646
  331   2HD1  LEU  40          2HD1      LEU  40  -3.439  -2.963 -14.601
  332   3HD1  LEU  40          3HD1      LEU  40  -3.331  -1.784 -13.298
  333   1HD2  LEU  40          1HD2      LEU  40  -3.586  -5.970 -12.592
  334   2HD2  LEU  40          2HD2      LEU  40  -2.944  -5.317 -14.098
  335   3HD2  LEU  40          3HD2      LEU  40  -4.669  -5.201 -13.752
  336    HA   PRO  41           HA       PRO  41  -3.616   1.048 -10.291
  337   1HB   PRO  41          2HB       PRO  41  -3.875   1.276 -13.257
  338   2HB   PRO  41          1HB       PRO  41  -3.457   2.517 -12.061
  339   1HG   PRO  41          2HG       PRO  41  -1.650   1.256 -13.673
  340   2HG   PRO  41          1HG       PRO  41  -1.258   2.001 -12.117
  341   1HD   PRO  41          2HD       PRO  41  -1.249  -0.827 -12.822
  342   2HD   PRO  41          1HD       PRO  41  -0.680  -0.053 -11.328
  343    H    GLY  42           H        GLY  42  -4.728  -0.713 -13.206
  344   1HA   GLY  42          2HA       GLY  42  -7.478  -0.126 -12.900
  345   2HA   GLY  42          1HA       GLY  42  -6.862  -1.529 -13.767
  346    H    ARG  43           H        ARG  43  -5.605  -2.837 -11.581
  347    HA   ARG  43           HA       ARG  43  -7.788  -4.292 -10.487
  348   1HB   ARG  43          2HB       ARG  43  -5.570  -5.282 -10.687
  349   2HB   ARG  43          1HB       ARG  43  -4.912  -4.101  -9.553
  350   1HG   ARG  43          2HG       ARG  43  -6.124  -5.012  -7.728
  351   2HG   ARG  43          1HG       ARG  43  -7.196  -5.924  -8.790
  352   1HD   ARG  43          2HD       ARG  43  -4.220  -6.437  -8.725
  353   2HD   ARG  43          1HD       ARG  43  -5.326  -7.247  -7.615
  354    HE   ARG  43           HE       ARG  43  -5.009  -7.858 -10.427
  355   1HH1  ARG  43          1HH2      ARG  43  -7.223  -7.656  -7.793
  356   2HH1  ARG  43          2HH2      ARG  43  -8.302  -8.849  -8.433
  357   1HH2  ARG  43          1HH1      ARG  43  -6.406  -9.419 -11.280
  358   2HH2  ARG  43          2HH1      ARG  43  -7.840  -9.847 -10.408
  359    H    VAL  44           H        VAL  44  -6.042  -1.472  -9.283
  360    HA   VAL  44           HA       VAL  44  -7.129  -1.700  -6.592
  361    HB   VAL  44           HB       VAL  44  -6.199   0.950  -7.598
  362   1HG1  VAL  44          1HG1      VAL  44  -5.224   1.089  -5.445
  363   2HG1  VAL  44          2HG1      VAL  44  -5.229  -0.662  -5.235
  364   3HG1  VAL  44          3HG1      VAL  44  -6.744   0.238  -5.174
  365   1HG2  VAL  44          1HG2      VAL  44  -4.662  -0.410  -8.825
  366   2HG2  VAL  44          2HG2      VAL  44  -4.475  -1.535  -7.481
  367   3HG2  VAL  44          3HG2      VAL  44  -3.804   0.093  -7.370
  368    H    LYS  45           H        LYS  45  -7.743   0.653  -9.239
  369    HA   LYS  45           HA       LYS  45 -10.055   1.774  -7.946
  370   1HB   LYS  45          2HB       LYS  45 -10.587   2.698 -10.205
  371   2HB   LYS  45          1HB       LYS  45  -8.916   3.000  -9.728
  372   1HG   LYS  45          2HG       LYS  45  -8.236   0.964 -11.011
  373   2HG   LYS  45          1HG       LYS  45  -9.896   0.812 -11.583
  374   1HD   LYS  45          2HD       LYS  45  -8.270   3.338 -11.958
  375   2HD   LYS  45          1HD       LYS  45  -8.287   2.039 -13.148
  376   1HE   LYS  45          2HE       LYS  45  -9.987   3.444 -13.932
  377   2HE   LYS  45          1HE       LYS  45 -10.895   2.271 -12.984
  378   1HZ   LYS  45          1HZ       LYS  45 -11.390   3.786 -11.420
  379   2HZ   LYS  45          2HZ       LYS  45 -11.095   4.905 -12.665
  380   3HZ   LYS  45          3HZ       LYS  45  -9.885   4.563 -11.521
  381    H    ALA  46           H        ALA  46  -9.508  -1.125  -9.703
  382    HA   ALA  46           HA       ALA  46 -12.248  -1.569 -10.559
  383   1HB   ALA  46          1HB       ALA  46 -10.524  -2.739 -11.752
  384   2HB   ALA  46          2HB       ALA  46 -11.397  -3.961 -10.829
  385   3HB   ALA  46          3HB       ALA  46  -9.838  -3.374 -10.257
  386    H    LEU  47           H        LEU  47 -10.281  -2.506  -7.757
  387    HA   LEU  47           HA       LEU  47 -12.331  -4.199  -6.604
  388   1HB   LEU  47          2HB       LEU  47  -9.655  -3.815  -6.120
  389   2HB   LEU  47          1HB       LEU  47 -10.372  -2.958  -4.758
  390    HG   LEU  47           HG       LEU  47 -11.037  -5.811  -5.555
  391   1HD1  LEU  47          1HD1      LEU  47  -8.710  -5.431  -4.639
  392   2HD1  LEU  47          2HD1      LEU  47  -9.717  -6.494  -3.655
  393   3HD1  LEU  47          3HD1      LEU  47  -9.461  -4.820  -3.165
  394   1HD2  LEU  47          1HD2      LEU  47 -12.046  -5.749  -3.191
  395   2HD2  LEU  47          2HD2      LEU  47 -12.924  -4.868  -4.441
  396   3HD2  LEU  47          3HD2      LEU  47 -11.906  -3.994  -3.297
  397    H    CYS  48           H        CYS  48 -12.217  -0.902  -7.051
  398    HA   CYS  48           HA       CYS  48 -13.816  -0.352  -4.578
  399   1HB   CYS  48          2HB       CYS  48 -11.943   1.278  -6.231
  400   2HB   CYS  48          1HB       CYS  48 -13.347   2.114  -5.572
  401    H    LYS  49           H        LYS  49 -14.020  -0.865  -7.912
  402    HA   LYS  49           HA       LYS  49 -16.159   0.926  -8.590
  403   1HB   LYS  49          2HB       LYS  49 -14.994  -1.581  -9.742
  404   2HB   LYS  49          1HB       LYS  49 -16.579  -1.067 -10.321
  405   1HG   LYS  49          2HG       LYS  49 -15.657   1.156 -10.876
  406   2HG   LYS  49          1HG       LYS  49 -14.072   0.641 -10.299
  407   1HD   LYS  49          2HD       LYS  49 -14.054  -1.162 -12.002
  408   2HD   LYS  49          1HD       LYS  49 -15.613  -0.595 -12.600
  409   1HE   LYS  49          2HE       LYS  49 -14.551   1.656 -13.003
  410   2HE   LYS  49          1HE       LYS  49 -12.995   0.929 -12.605
  411   1HZ   LYS  49          1HZ       LYS  49 -14.507   0.753 -15.015
  412   2HZ   LYS  49          2HZ       LYS  49 -14.127  -0.788 -14.409
  413   3HZ   LYS  49          3HZ       LYS  49 -12.890   0.332 -14.727
  414    H    ASN  50           H        ASN  50 -18.435   0.266  -8.938
  415    HA   ASN  50           HA       ASN  50 -20.434  -0.795  -8.308
  416   1HB   ASN  50          2HB       ASN  50 -18.938  -2.910  -6.787
  417   2HB   ASN  50          1HB       ASN  50 -20.416  -3.050  -7.736
  418   1HD2  ASN  50          1HD2      ASN  50 -17.519  -4.328  -7.878
  419   2HD2  ASN  50          2HD2      ASN  50 -17.161  -4.228  -9.534
  420    H    ILE  51           H        ILE  51 -17.893  -0.120  -6.018
  421    HA   ILE  51           HA       ILE  51 -19.286  -0.429  -3.575
  422    HB   ILE  51           HB       ILE  51 -17.247   1.661  -4.393
  423   1HG1  ILE  51          2HG1      ILE  51 -16.464  -0.673  -4.566
  424   2HG1  ILE  51          1HG1      ILE  51 -15.659   0.158  -3.236
  425   1HG2  ILE  51          1HG2      ILE  51 -18.481   0.988  -1.733
  426   2HG2  ILE  51          2HG2      ILE  51 -18.185   2.573  -2.448
  427   3HG2  ILE  51          3HG2      ILE  51 -16.839   1.624  -1.823
  428   1HD1  ILE  51          1HD1      ILE  51 -16.264  -1.774  -2.137
  429   2HD1  ILE  51          2HD1      ILE  51 -17.670  -2.046  -3.164
  430   3HD1  ILE  51          3HD1      ILE  51 -17.743  -0.852  -1.869
  431    H    ARG  52           H        ARG  52 -19.902   1.722  -2.247
  432    HA   ARG  52           HA       ARG  52 -21.689   3.353  -4.011
  433   1HB   ARG  52          2HB       ARG  52 -22.848   1.595  -2.573
  434   2HB   ARG  52          1HB       ARG  52 -22.344   2.546  -1.176
  435   1HG   ARG  52          2HG       ARG  52 -23.439   4.552  -2.349
  436   2HG   ARG  52          1HG       ARG  52 -24.188   3.371  -3.424
  437   1HD   ARG  52          2HD       ARG  52 -24.598   3.764  -0.470
  438   2HD   ARG  52          1HD       ARG  52 -25.804   3.593  -1.746
  439    HE   ARG  52           HE       ARG  52 -24.463   1.155  -1.730
  440   1HH1  ARG  52          1HH2      ARG  52 -26.125   3.148   0.539
  441   2HH1  ARG  52          2HH2      ARG  52 -26.674   1.820   1.506
  442   1HH2  ARG  52          1HH1      ARG  52 -25.169  -0.590  -0.480
  443   2HH2  ARG  52          2HH1      ARG  52 -26.132  -0.296   0.929
  444    H    ASP  53           H        ASP  53 -19.790   3.285  -1.015
  445    HA   ASP  53           HA       ASP  53 -19.062   6.069  -1.334
  446   1HB   ASP  53          2HB       ASP  53 -20.227   6.990   0.596
  447   2HB   ASP  53          1HB       ASP  53 -21.408   6.315  -0.527
  448    H    ASN  54           H        ASN  54 -18.611   6.658   1.374
  449    HA   ASN  54           HA       ASN  54 -16.124   5.317   1.819
  450   1HB   ASN  54          2HB       ASN  54 -16.080   6.519   3.955
  451   2HB   ASN  54          1HB       ASN  54 -16.635   7.592   2.669
  452   1HD2  ASN  54          1HD2      ASN  54 -19.328   6.792   2.410
  453   2HD2  ASN  54          2HD2      ASN  54 -20.153   7.117   3.857
  454    H    THR  55           H        THR  55 -16.065   3.175   2.281
  455    HA   THR  55           HA       THR  55 -17.453   2.233   4.705
  456    HB   THR  55           HB       THR  55 -17.777   0.310   2.500
  457    HG1  THR  55           1HG      THR  55 -19.571   2.443   2.431
  458   1HG2  THR  55          1HG2      THR  55 -19.903  -0.041   3.524
  459   2HG2  THR  55          2HG2      THR  55 -19.863   1.538   4.309
  460   3HG2  THR  55          3HG2      THR  55 -18.778   0.258   4.849
  461    H    ASP  56           H        ASP  56 -16.522   0.200   5.470
  462    HA   ASP  56           HA       ASP  56 -13.697  -0.049   4.686
  463   1HB   ASP  56          2HB       ASP  56 -13.644  -1.723   6.574
  464   2HB   ASP  56          1HB       ASP  56 -14.161  -0.107   7.054
  465    H    VAL  57           H        VAL  57 -13.146  -1.382   3.050
  466    HA   VAL  57           HA       VAL  57 -14.914  -3.707   2.441
  467    HB   VAL  57           HB       VAL  57 -13.966  -3.696   0.238
  468   1HG1  VAL  57          1HG1      VAL  57 -15.630  -1.906   0.774
  469   2HG1  VAL  57          2HG1      VAL  57 -14.520  -1.445  -0.516
  470   3HG1  VAL  57          3HG1      VAL  57 -14.290  -0.810   1.113
  471   1HG2  VAL  57          1HG2      VAL  57 -11.636  -3.372   0.671
  472   2HG2  VAL  57          2HG2      VAL  57 -11.930  -1.823   1.461
  473   3HG2  VAL  57          3HG2      VAL  57 -12.139  -1.977  -0.283
  474    H    LEU  58           H        LEU  58 -13.697  -5.702   1.698
  475    HA   LEU  58           HA       LEU  58 -11.112  -6.063   3.153
  476   1HB   LEU  58          2HB       LEU  58 -13.533  -6.988   4.115
  477   2HB   LEU  58          1HB       LEU  58 -12.957  -8.380   3.207
  478    HG   LEU  58           HG       LEU  58 -12.235  -8.460   5.569
  479   1HD1  LEU  58          1HD1      LEU  58  -9.928  -8.987   5.149
  480   2HD1  LEU  58          2HD1      LEU  58  -9.882  -7.925   3.742
  481   3HD1  LEU  58          3HD1      LEU  58 -10.840  -9.406   3.701
  482   1HD2  LEU  58          1HD2      LEU  58 -11.257  -6.718   6.648
  483   2HD2  LEU  58          2HD2      LEU  58 -11.905  -5.737   5.335
  484   3HD2  LEU  58          3HD2      LEU  58 -10.237  -6.308   5.269
  485    H    SER  59           H        SER  59  -9.604  -7.157   1.888
  486    HA   SER  59           HA       SER  59 -10.128  -7.738  -0.829
  487   1HB   SER  59          2HB       SER  59  -7.864  -7.762  -0.608
  488   2HB   SER  59          1HB       SER  59  -7.940  -8.299   1.061
  489    HG   SER  59           HG       SER  59  -7.164 -10.033   0.031
  490    H    ARG  60           H        ARG  60 -10.463  -9.774  -1.922
  491    HA   ARG  60           HA       ARG  60 -12.285 -11.516  -0.442
  492   1HB   ARG  60          2HB       ARG  60 -11.316 -11.500  -3.307
  493   2HB   ARG  60          1HB       ARG  60 -12.452 -12.694  -2.677
  494   1HG   ARG  60          2HG       ARG  60 -14.093 -11.036  -2.205
  495   2HG   ARG  60          1HG       ARG  60 -12.932  -9.722  -2.398
  496   1HD   ARG  60          2HD       ARG  60 -14.574 -10.188  -4.354
  497   2HD   ARG  60          1HD       ARG  60 -12.868  -9.962  -4.742
  498    HE   ARG  60           HE       ARG  60 -12.823 -12.195  -5.480
  499   1HH1  ARG  60          1HH2      ARG  60 -15.440 -11.614  -3.310
  500   2HH1  ARG  60          2HH2      ARG  60 -16.110 -13.201  -3.484
  501   1HH2  ARG  60          1HH1      ARG  60 -13.685 -14.271  -5.718
  502   2HH2  ARG  60          2HH1      ARG  60 -15.117 -14.706  -4.847
  503    H    ASP  61           H        ASP  61  -8.969 -11.491  -0.597
  504    HA   ASP  61           HA       ASP  61  -8.817 -14.221   0.375
  505   1HB   ASP  61          2HB       ASP  61  -8.958 -14.721  -2.015
  506   2HB   ASP  61          1HB       ASP  61  -7.639 -13.597  -2.349
  507    H    ALA  62           H        ALA  62  -6.210 -12.814  -1.511
  508    HA   ALA  62           HA       ALA  62  -4.962 -11.742   0.957
  509   1HB   ALA  62          1HB       ALA  62  -2.965 -13.046   0.725
  510   2HB   ALA  62          2HB       ALA  62  -3.494 -13.694  -0.826
  511   3HB   ALA  62          3HB       ALA  62  -4.312 -14.181   0.658
  512    H    PHE  63           H        PHE  63  -2.875 -10.591   0.401
  513    HA   PHE  63           HA       PHE  63  -2.644  -9.720  -2.412
  514   1HB   PHE  63          2HB       PHE  63  -3.667  -8.021  -0.171
  515   2HB   PHE  63          1HB       PHE  63  -2.557  -7.267  -1.316
  516    HD1  PHE  63           1HD      PHE  63  -5.786  -9.093  -1.017
  517    HD2  PHE  63           2HD      PHE  63  -3.237  -6.726  -3.539
  518    HE1  PHE  63           1HE      PHE  63  -7.630  -8.856  -2.659
  519    HE2  PHE  63           2HE      PHE  63  -5.082  -6.488  -5.179
  520    HZ   PHE  63           HZ       PHE  63  -7.277  -7.552  -4.739
  521    H    LEU  64           H        LEU  64  -0.510  -9.509  -2.879
  522    HA   LEU  64           HA       LEU  64   1.458  -9.820  -0.740
  523   1HB   LEU  64          2HB       LEU  64   1.556 -10.799  -3.136
  524   2HB   LEU  64          1HB       LEU  64   2.066  -9.188  -3.632
  525    HG   LEU  64           HG       LEU  64   3.454 -10.648  -1.377
  526   1HD1  LEU  64          1HD1      LEU  64   5.147 -11.329  -3.103
  527   2HD1  LEU  64          2HD1      LEU  64   4.012 -10.816  -4.351
  528   3HD1  LEU  64          3HD1      LEU  64   3.595 -12.148  -3.273
  529   1HD2  LEU  64          1HD2      LEU  64   5.361  -9.175  -2.356
  530   2HD2  LEU  64          2HD2      LEU  64   4.097  -8.371  -1.431
  531   3HD2  LEU  64          3HD2      LEU  64   4.072  -8.311  -3.193
  532    H    LEU  65           H        LEU  65   2.039  -8.040   0.448
  533    HA   LEU  65           HA       LEU  65   2.322  -5.465  -1.039
  534   1HB   LEU  65          2HB       LEU  65   2.101  -4.891   1.728
  535   2HB   LEU  65          1HB       LEU  65   0.957  -4.502   0.460
  536    HG   LEU  65           HG       LEU  65   0.953  -7.241   1.688
  537   1HD1  LEU  65          1HD1      LEU  65  -0.368  -4.712   2.725
  538   2HD1  LEU  65          2HD1      LEU  65   0.854  -5.672   3.559
  539   3HD1  LEU  65          3HD1      LEU  65  -0.754  -6.340   3.282
  540   1HD2  LEU  65          1HD2      LEU  65  -0.369  -6.795  -0.369
  541   2HD2  LEU  65          2HD2      LEU  65  -1.162  -5.445   0.437
  542   3HD2  LEU  65          3HD2      LEU  65  -1.430  -7.091   1.007
  543    HA   PRO  66           HA       PRO  66   6.550  -5.806   0.400
  544   1HB   PRO  66          2HB       PRO  66   7.396  -3.339  -0.449
  545   2HB   PRO  66          1HB       PRO  66   7.206  -4.729  -1.531
  546   1HG   PRO  66          2HG       PRO  66   5.460  -2.374  -1.167
  547   2HG   PRO  66          1HG       PRO  66   5.766  -3.339  -2.615
  548   1HD   PRO  66          2HD       PRO  66   3.486  -3.527  -1.043
  549   2HD   PRO  66          1HD       PRO  66   4.061  -4.780  -2.164
  550    H    GLN  67           H        GLN  67   7.765  -4.911   2.219
  551    HA   GLN  67           HA       GLN  67   6.538  -2.592   3.596
  552   1HB   GLN  67          2HB       GLN  67   5.521  -4.837   4.396
  553   2HB   GLN  67          1HB       GLN  67   7.088  -5.121   5.151
  554   1HG   GLN  67          2HG       GLN  67   5.505  -2.583   5.614
  555   2HG   GLN  67          1HG       GLN  67   5.323  -4.013   6.630
  556   1HE2  GLN  67          1HE2      GLN  67   6.366  -1.520   7.647
  557   2HE2  GLN  67          2HE2      GLN  67   7.988  -1.772   8.078
  558    H    CYS  68           H        CYS  68   8.105  -1.290   4.432
  559    HA   CYS  68           HA       CYS  68  10.891  -2.352   4.468
  560   1HB   CYS  68          2HB       CYS  68  10.014   0.507   4.909
  561   2HB   CYS  68          1HB       CYS  68  11.605  -0.081   4.431
  562    H    ASP  69           H        ASP  69  12.075  -2.498   6.373
  563    HA   ASP  69           HA       ASP  69  10.796  -1.475   8.875
  564   1HB   ASP  69          2HB       ASP  69  10.248  -3.878   8.659
  565   2HB   ASP  69          1HB       ASP  69  11.967  -4.250   8.510
  566    H    ARG  70           H        ARG  70  12.265  -0.071   9.704
  567    HA   ARG  70           HA       ARG  70  15.122  -0.336   9.118
  568   1HB   ARG  70          2HB       ARG  70  13.893   1.868   9.343
  569   2HB   ARG  70          1HB       ARG  70  13.791   1.554  11.074
  570   1HG   ARG  70          2HG       ARG  70  16.378   1.192  10.903
  571   2HG   ARG  70          1HG       ARG  70  16.228   2.083   9.389
  572   1HD   ARG  70          2HD       ARG  70  16.685   3.737  11.036
  573   2HD   ARG  70          1HD       ARG  70  14.952   3.854  10.734
  574    HE   ARG  70           HE       ARG  70  14.596   3.174  12.959
  575   1HH1  ARG  70          1HH2      ARG  70  17.733   2.293  11.833
  576   2HH1  ARG  70          2HH2      ARG  70  18.260   1.686  13.367
  577   1HH2  ARG  70          1HH1      ARG  70  15.267   2.387  14.970
  578   2HH2  ARG  70          2HH1      ARG  70  16.864   1.739  15.143
  579    H    ILE  71           H        ILE  71  16.520  -1.499  10.339
  580    HA   ILE  71           HA       ILE  71  15.884  -1.938  13.225
  581    HB   ILE  71           HB       ILE  71  16.730  -4.055  11.225
  582   1HG1  ILE  71          2HG1      ILE  71  14.290  -3.923  13.021
  583   2HG1  ILE  71          1HG1      ILE  71  14.284  -3.393  11.339
  584   1HG2  ILE  71          1HG2      ILE  71  17.927  -4.496  13.250
  585   2HG2  ILE  71          2HG2      ILE  71  16.517  -5.554  13.283
  586   3HG2  ILE  71          3HG2      ILE  71  16.532  -4.077  14.245
  587   1HD1  ILE  71          1HD1      ILE  71  15.041  -5.656  10.645
  588   2HD1  ILE  71          2HD1      ILE  71  13.490  -5.706  11.482
  589   3HD1  ILE  71          3HD1      ILE  71  14.963  -6.178  12.328
  590    H    LYS  72           H        LYS  72  18.269  -1.648  10.659
  591    HA   LYS  72           HA       LYS  72  20.342  -1.171  12.749
  592   1HB   LYS  72          2HB       LYS  72  21.982  -2.466  11.465
  593   2HB   LYS  72          1HB       LYS  72  20.615  -3.491  11.904
  594   1HG   LYS  72          2HG       LYS  72  19.615  -2.947   9.636
  595   2HG   LYS  72          1HG       LYS  72  21.153  -2.192   9.222
  596   1HD   LYS  72          2HD       LYS  72  21.513  -4.344   8.418
  597   2HD   LYS  72          1HD       LYS  72  22.155  -4.500  10.052
  598   1HE   LYS  72          2HE       LYS  72  20.032  -5.446  10.828
  599   2HE   LYS  72          1HE       LYS  72  19.324  -5.217   9.229
  600   1HZ   LYS  72          1HZ       LYS  72  21.740  -6.863   9.725
  601   2HZ   LYS  72          2HZ       LYS  72  20.820  -6.777   8.299
  602   3HZ   LYS  72          3HZ       LYS  72  20.169  -7.501   9.691
  603    H    LEU  73           H        LEU  73  22.376  -0.210  11.587
  604    HA   LEU  73           HA       LEU  73  23.258   1.588  10.393
  605   1HB   LEU  73          2HB       LEU  73  21.660   0.000   8.560
  606   2HB   LEU  73          1HB       LEU  73  21.600   1.694   8.090
  607    HG   LEU  73           HG       LEU  73  24.195   1.623   8.435
  608   1HD1  LEU  73          1HD1      LEU  73  23.551  -1.314   8.052
  609   2HD1  LEU  73          2HD1      LEU  73  24.230  -0.595   9.511
  610   3HD1  LEU  73          3HD1      LEU  73  25.165  -0.605   8.016
  611   1HD2  LEU  73          1HD2      LEU  73  24.481   0.791   6.105
  612   2HD2  LEU  73          2HD2      LEU  73  23.127   1.912   6.246
  613   3HD2  LEU  73          3HD2      LEU  73  22.828   0.177   6.143
  614    HA   PRO  74           HA       PRO  74  20.588   5.062  11.049
  615   1HB   PRO  74          2HB       PRO  74  21.447   6.936   9.299
  616   2HB   PRO  74          1HB       PRO  74  22.468   6.346  10.626
  617   1HG   PRO  74          2HG       PRO  74  22.559   5.684   7.732
  618   2HG   PRO  74          1HG       PRO  74  23.881   5.848   8.897
  619   1HD   PRO  74          2HD       PRO  74  22.773   3.422   8.041
  620   2HD   PRO  74          1HD       PRO  74  23.773   3.638   9.492
  621    H    CYS  75           H        CYS  75  20.881   5.131   7.474
  622    HA   CYS  75           HA       CYS  75  17.899   5.403   7.357
  623   1HB   CYS  75          2HB       CYS  75  19.358   7.317   6.517
  624   2HB   CYS  75          1HB       CYS  75  19.869   6.235   5.221
  625    H    HIS  76           H        HIS  76  18.802   2.831   7.587
  626    HA   HIS  76           HA       HIS  76  18.580   1.763   4.791
  627   1HB   HIS  76          2HB       HIS  76  20.769   1.283   5.954
  628   2HB   HIS  76          1HB       HIS  76  19.858   0.377   7.163
  629    HD1  HIS  76           1HD      HIS  76  19.617  -2.048   6.655
  630    HD2  HIS  76           2HD      HIS  76  20.111   0.199   3.175
  631    HE1  HIS  76           1HE      HIS  76  19.666  -3.701   4.735
  632    HE2  HIS  76           2HE      HIS  76  19.967  -2.345   2.613
  633    H    TYR  77           H        TYR  77  17.215  -0.135   4.568
  634    HA   TYR  77           HA       TYR  77  15.482  -0.723   6.926
  635   1HB   TYR  77          2HB       TYR  77  14.281  -0.450   4.186
  636   2HB   TYR  77          1HB       TYR  77  13.491  -0.347   5.758
  637    HD1  TYR  77           1HD      TYR  77  13.516   1.694   7.052
  638    HD2  TYR  77           2HD      TYR  77  15.641   1.432   3.330
  639    HE1  TYR  77           1HE      TYR  77  13.806   4.155   7.046
  640    HE2  TYR  77           2HE      TYR  77  15.932   3.898   3.323
  641    HH   TYR  77           HH       TYR  77  15.581   5.789   4.418
  642    H    LYS  78           H        LYS  78  14.178  -2.729   6.579
  643    HA   LYS  78           HA       LYS  78  15.751  -4.713   4.989
  644   1HB   LYS  78          2HB       LYS  78  15.079  -4.767   7.657
  645   2HB   LYS  78          1HB       LYS  78  13.766  -5.707   6.951
  646   1HG   LYS  78          2HG       LYS  78  16.720  -6.219   6.477
  647   2HG   LYS  78          1HG       LYS  78  15.698  -7.134   7.584
  648   1HD   LYS  78          2HD       LYS  78  14.172  -7.537   5.531
  649   2HD   LYS  78          1HD       LYS  78  15.557  -7.011   4.573
  650   1HE   LYS  78          2HE       LYS  78  15.542  -9.296   6.566
  651   2HE   LYS  78          1HE       LYS  78  15.575  -9.454   4.810
  652   1HZ   LYS  78          1HZ       LYS  78  17.670  -8.395   6.603
  653   2HZ   LYS  78          2HZ       LYS  78  17.659  -8.025   4.945
  654   3HZ   LYS  78          3HZ       LYS  78  17.788  -9.640   5.457
  655    H    LEU  79           H        LEU  79  14.675  -5.964   3.457
  656    HA   LEU  79           HA       LEU  79  12.026  -4.998   2.630
  657   1HB   LEU  79          2HB       LEU  79  14.128  -5.734   1.161
  658   2HB   LEU  79          1HB       LEU  79  13.384  -7.323   1.307
  659    HG   LEU  79           HG       LEU  79  12.542  -6.282  -0.708
  660   1HD1  LEU  79          1HD1      LEU  79  10.961  -7.520   0.908
  661   2HD1  LEU  79          2HD1      LEU  79  10.217  -6.513  -0.335
  662   3HD1  LEU  79          3HD1      LEU  79  10.337  -5.922   1.321
  663   1HD2  LEU  79          1HD2      LEU  79  12.963  -3.890   0.483
  664   2HD2  LEU  79          2HD2      LEU  79  11.223  -4.027   0.733
  665   3HD2  LEU  79          3HD2      LEU  79  11.887  -4.088  -0.899
  666    H    SER  80           H        SER  80  10.175  -5.936   3.319
  667    HA   SER  80           HA       SER  80  10.116  -8.862   3.818
  668   1HB   SER  80          2HB       SER  80  10.516  -8.127   6.040
  669   2HB   SER  80          1HB       SER  80   9.483  -6.714   5.846
  670    HG   SER  80           HG       SER  80   8.818  -9.401   6.267
  671    H    SER  81           H        SER  81   8.337  -9.641   2.780
  672    HA   SER  81           HA       SER  81   5.899  -7.923   2.638
  673   1HB   SER  81          2HB       SER  81   5.716  -8.083   0.322
  674   2HB   SER  81          1HB       SER  81   7.462  -7.953   0.508
  675    HG   SER  81           HG       SER  81   7.046 -10.459   0.760
  676    H    SER  82           H        SER  82   3.946  -9.203   2.084
  677    HA   SER  82           HA       SER  82   4.098 -12.116   2.185
  678   1HB   SER  82          2HB       SER  82   3.095 -12.474   4.310
  679   2HB   SER  82          1HB       SER  82   4.365 -11.292   4.612
  680    HG   SER  82           HG       SER  82   2.785 -10.148   5.400
  681    H    THR  83           H        THR  83   1.890 -13.073   2.050
  682    HA   THR  83           HA       THR  83   0.070 -11.206   0.630
  683    HB   THR  83           HB       THR  83  -0.807 -13.732   0.076
  684    HG1  THR  83           1HG      THR  83   1.302 -14.784  -0.381
  685   1HG2  THR  83          1HG2      THR  83   0.454 -13.494  -2.035
  686   2HG2  THR  83          2HG2      THR  83   1.437 -12.232  -1.292
  687   3HG2  THR  83          3HG2      THR  83  -0.287 -11.966  -1.558
  688    H    ASN  84           H        ASN  84  -1.699 -10.593   1.761
  689    HA   ASN  84           HA       ASN  84  -3.255 -12.563   3.266
  690   1HB   ASN  84          2HB       ASN  84  -3.177 -11.075   5.368
  691   2HB   ASN  84          1HB       ASN  84  -1.766 -12.087   5.055
  692   1HD2  ASN  84          1HD2      ASN  84  -0.863 -10.184   6.538
  693   2HD2  ASN  84          2HD2      ASN  84  -0.222  -8.855   5.699
  694    H    THR  85           H        THR  85  -5.369 -11.671   3.895
  695    HA   THR  85           HA       THR  85  -6.392  -9.781   2.004
  696    HB   THR  85           HB       THR  85  -8.014 -10.000   4.421
  697    HG1  THR  85           1HG      THR  85  -7.704 -12.494   3.314
  698   1HG2  THR  85          1HG2      THR  85  -9.523 -11.205   2.769
  699   2HG2  THR  85          2HG2      THR  85  -8.262 -10.966   1.565
  700   3HG2  THR  85          3HG2      THR  85  -9.050  -9.575   2.306
  701    H    ILE  86           H        ILE  86  -7.067  -7.586   2.383
  702    HA   ILE  86           HA       ILE  86  -5.947  -6.327   4.852
  703    HB   ILE  86           HB       ILE  86  -4.556  -4.973   3.666
  704   1HG1  ILE  86          2HG1      ILE  86  -6.815  -4.741   1.647
  705   2HG1  ILE  86          1HG1      ILE  86  -6.307  -3.534   2.829
  706   1HG2  ILE  86          1HG2      ILE  86  -5.271  -6.718   1.296
  707   2HG2  ILE  86          2HG2      ILE  86  -4.243  -7.258   2.623
  708   3HG2  ILE  86          3HG2      ILE  86  -3.733  -5.913   1.608
  709   1HD1  ILE  86          1HD1      ILE  86  -5.344  -2.801   0.799
  710   2HD1  ILE  86          2HD1      ILE  86  -4.870  -4.435   0.336
  711   3HD1  ILE  86          3HD1      ILE  86  -4.019  -3.607   1.639
  712    H    CYS  87           H        CYS  87  -7.119  -4.506   5.601
  713    HA   CYS  87           HA       CYS  87  -9.826  -4.209   4.373
  714   1HB   CYS  87          2HB       CYS  87  -9.446  -4.859   6.874
  715   2HB   CYS  87          1HB       CYS  87  -9.028  -3.165   7.086
  716    H    ILE  88           H        ILE  88 -10.389  -2.220   3.517
  717    HA   ILE  88           HA       ILE  88  -8.723   0.140   4.193
  718    HB   ILE  88           HB       ILE  88  -7.465  -0.177   2.324
  719   1HG1  ILE  88          2HG1      ILE  88 -10.017   0.389   0.785
  720   2HG1  ILE  88          1HG1      ILE  88  -9.089   1.633   1.621
  721   1HG2  ILE  88          1HG2      ILE  88  -9.662  -1.988   1.286
  722   2HG2  ILE  88          2HG2      ILE  88  -8.189  -2.501   2.103
  723   3HG2  ILE  88          3HG2      ILE  88  -8.098  -1.753   0.511
  724   1HD1  ILE  88          1HD1      ILE  88  -7.784   1.815  -0.198
  725   2HD1  ILE  88          2HD1      ILE  88  -8.605   0.459  -0.967
  726   3HD1  ILE  88          3HD1      ILE  88  -7.217   0.168   0.080
  727    H    THR  89           H        THR  89  -9.754   2.172   3.528
  728    HA   THR  89           HA       THR  89 -12.713   1.840   3.320
  729    HB   THR  89           HB       THR  89 -10.917   3.947   4.457
  730    HG1  THR  89           1HG      THR  89 -13.439   3.076   5.337
  731   1HG2  THR  89          1HG2      THR  89 -13.053   5.392   4.589
  732   2HG2  THR  89          2HG2      THR  89 -13.647   4.395   3.261
  733   3HG2  THR  89          3HG2      THR  89 -12.188   5.364   3.053
  734    H    CYS  90           H        CYS  90 -13.697   2.322   1.459
  735    HA   CYS  90           HA       CYS  90 -12.270   4.024  -0.553
  736   1HB   CYS  90          2HB       CYS  90 -12.402   1.510  -1.046
  737   2HB   CYS  90          1HB       CYS  90 -14.143   1.739  -1.208
  738    H    VAL  91           H        VAL  91 -13.572   5.544  -1.630
  739    HA   VAL  91           HA       VAL  91 -16.152   6.125  -0.353
  740    HB   VAL  91           HB       VAL  91 -14.363   7.844  -1.020
  741   1HG1  VAL  91          1HG1      VAL  91 -14.480   6.710  -3.475
  742   2HG1  VAL  91          2HG1      VAL  91 -13.993   8.384  -3.213
  743   3HG1  VAL  91          3HG1      VAL  91 -15.644   8.015  -3.702
  744   1HG2  VAL  91          1HG2      VAL  91 -16.372   9.339  -2.050
  745   2HG2  VAL  91          2HG2      VAL  91 -16.270   8.926  -0.340
  746   3HG2  VAL  91          3HG2      VAL  91 -17.315   7.993  -1.408
  747    H    ASN  92           H        ASN  92 -17.098   7.349  -2.996
  748    HA   ASN  92           HA       ASN  92 -18.969   5.454  -3.759
  749   1HB   ASN  92          2HB       ASN  92 -17.625   7.547  -5.472
  750   2HB   ASN  92          1HB       ASN  92 -19.061   6.648  -5.966
  751   1HD2  ASN  92          1HD2      ASN  92 -21.079   7.060  -4.783
  752   2HD2  ASN  92          2HD2      ASN  92 -21.257   8.445  -3.817
  753    H    GLN  93           H        GLN  93 -15.763   5.888  -5.071
  754    HA   GLN  93           HA       GLN  93 -15.424   3.104  -5.658
  755   1HB   GLN  93          2HB       GLN  93 -15.412   3.243  -8.141
  756   2HB   GLN  93          1HB       GLN  93 -17.013   3.549  -7.470
  757   1HG   GLN  93          2HG       GLN  93 -16.351   6.050  -7.528
  758   2HG   GLN  93          1HG       GLN  93 -15.044   5.541  -8.597
  759   1HE2  GLN  93          1HE2      GLN  93 -18.467   4.421  -8.367
  760   2HE2  GLN  93          2HE2      GLN  93 -18.833   4.738  -9.994
  761    H    LEU  94           H        LEU  94 -13.845   4.887  -4.324
  762    HA   LEU  94           HA       LEU  94 -11.401   4.881  -5.980
  763   1HB   LEU  94          2HB       LEU  94 -12.635   7.365  -4.771
  764   2HB   LEU  94          1HB       LEU  94 -10.916   7.265  -5.139
  765    HG   LEU  94           HG       LEU  94 -12.005   6.375  -7.501
  766   1HD1  LEU  94          1HD1      LEU  94 -13.955   7.551  -8.066
  767   2HD1  LEU  94          2HD1      LEU  94 -13.755   8.709  -6.750
  768   3HD1  LEU  94          3HD1      LEU  94 -14.279   7.063  -6.403
  769   1HD2  LEU  94          1HD2      LEU  94 -11.545   8.689  -8.331
  770   2HD2  LEU  94          2HD2      LEU  94 -10.249   8.055  -7.316
  771   3HD2  LEU  94          3HD2      LEU  94 -11.392   9.224  -6.657
  772    HA   PRO  95           HA       PRO  95 -10.336   3.566  -1.774
  773   1HB   PRO  95          2HB       PRO  95  -7.860   2.575  -2.348
  774   2HB   PRO  95          1HB       PRO  95  -9.354   1.700  -2.734
  775   1HG   PRO  95          2HG       PRO  95  -7.578   3.289  -4.512
  776   2HG   PRO  95          1HG       PRO  95  -8.448   1.781  -4.838
  777   1HD   PRO  95          2HD       PRO  95  -9.309   4.270  -5.673
  778   2HD   PRO  95          1HD       PRO  95 -10.387   2.877  -5.427
  779    H    ILE  96           H        ILE  96  -9.391   4.831  -0.144
  780    HA   ILE  96           HA       ILE  96  -7.057   6.504  -0.886
  781    HB   ILE  96           HB       ILE  96  -8.141   8.512   0.127
  782   1HG1  ILE  96          2HG1      ILE  96 -10.812   8.163  -0.006
  783   2HG1  ILE  96          1HG1      ILE  96 -10.364   6.518   0.433
  784   1HG2  ILE  96          1HG2      ILE  96  -9.270   9.104  -1.854
  785   2HG2  ILE  96          2HG2      ILE  96  -9.863   7.464  -2.115
  786   3HG2  ILE  96          3HG2      ILE  96  -8.162   7.838  -2.378
  787   1HD1  ILE  96          1HD1      ILE  96 -10.477   7.346   2.553
  788   2HD1  ILE  96          2HD1      ILE  96 -10.226   9.008   2.028
  789   3HD1  ILE  96          3HD1      ILE  96  -8.850   7.925   2.209
  790    H    HIS  97           H        HIS  97  -8.759   4.685   1.564
  791    HA   HIS  97           HA       HIS  97  -6.692   5.677   3.514
  792   1HB   HIS  97          2HB       HIS  97  -9.572   5.563   3.756
  793   2HB   HIS  97          1HB       HIS  97  -8.828   4.541   4.984
  794    HD1  HIS  97           1HD      HIS  97  -9.191   6.105   6.973
  795    HD2  HIS  97           2HD      HIS  97  -7.173   7.943   3.820
  796    HE1  HIS  97           1HE      HIS  97  -8.349   8.327   7.857
  797    HE2  HIS  97           2HE      HIS  97  -7.121   9.452   5.945
  798    H    PHE  98           H        PHE  98  -5.346   4.168   4.280
  799    HA   PHE  98           HA       PHE  98  -5.898   1.313   3.650
  800   1HB   PHE  98          2HB       PHE  98  -3.721   2.109   2.932
  801   2HB   PHE  98          1HB       PHE  98  -3.386   2.767   4.533
  802    HD1  PHE  98           1HD      PHE  98  -4.516  -0.493   3.039
  803    HD2  PHE  98           2HD      PHE  98  -1.994   1.490   5.896
  804    HE1  PHE  98           1HE      PHE  98  -3.588  -2.683   3.741
  805    HE2  PHE  98           2HE      PHE  98  -1.067  -0.700   6.598
  806    HZ   PHE  98           HZ       PHE  98  -1.863  -2.786   5.521
  807    H    ALA  99           H        ALA  99  -7.062   0.373   5.274
  808    HA   ALA  99           HA       ALA  99  -7.119   1.244   7.983
  809   1HB   ALA  99          1HB       ALA  99  -8.663  -0.420   6.622
  810   2HB   ALA  99          2HB       ALA  99  -8.499  -0.587   8.370
  811   3HB   ALA  99          3HB       ALA  99  -7.577  -1.634   7.294
  812    H    GLY 100           H        GLY 100  -5.813  -1.942   7.017
  813   1HA   GLY 100          2HA       GLY 100  -3.198  -1.480   8.132
  814   2HA   GLY 100          1HA       GLY 100  -4.218  -2.324   9.297
  815    H    VAL 101           H        VAL 101  -3.009  -4.278   9.148
  816    HA   VAL 101           HA       VAL 101  -2.948  -5.617   6.486
  817    HB   VAL 101           HB       VAL 101  -1.656  -6.507   9.078
  818   1HG1  VAL 101          1HG1      VAL 101  -0.185  -7.747   7.435
  819   2HG1  VAL 101          2HG1      VAL 101  -1.314  -7.271   6.166
  820   3HG1  VAL 101          3HG1      VAL 101  -1.856  -8.307   7.485
  821   1HG2  VAL 101          1HG2      VAL 101  -0.586  -4.800   6.810
  822   2HG2  VAL 101          2HG2      VAL 101   0.434  -5.559   8.033
  823   3HG2  VAL 101          3HG2      VAL 101  -0.745  -4.336   8.505
  824    H    GLY 102           H        GLY 102  -3.636  -7.892   6.381
  825   1HA   GLY 102          2HA       GLY 102  -5.175  -9.621   6.792
  826   2HA   GLY 102          1HA       GLY 102  -5.080  -9.179   8.495
  827    H    SER 103           H        SER 103  -7.485  -9.721   8.299
  828    HA   SER 103           HA       SER 103  -9.134  -7.711   6.930
  829   1HB   SER 103          2HB       SER 103 -10.969  -9.066   7.480
  830   2HB   SER 103          1HB       SER 103  -9.668 -10.241   7.314
  831    HG   SER 103           HG       SER 103  -9.401 -10.131   9.584
  832    H    CYS 104           H        CYS 104 -10.287  -6.062   7.949
  833    HA   CYS 104           HA       CYS 104  -9.228  -4.999  10.385
  834   1HB   CYS 104          2HB       CYS 104 -11.523  -3.650  10.232
  835   2HB   CYS 104          1HB       CYS 104 -10.213  -3.339   9.096
  836    HA   PRO 105           HA       PRO 105 -11.509  -7.231  13.445
  837   1HB   PRO 105          2HB       PRO 105 -11.806  -5.323  15.396
  838   2HB   PRO 105          1HB       PRO 105 -10.268  -6.138  15.055
  839   1HG   PRO 105          2HG       PRO 105 -11.207  -3.441  14.204
  840   2HG   PRO 105          1HG       PRO 105  -9.604  -3.954  14.759
  841   1HD   PRO 105          2HD       PRO 105 -10.192  -3.584  12.118
  842   2HD   PRO 105          1HD       PRO 105  -8.994  -4.771  12.676
  Start of MODEL   15
    1    HN   PCA   1           H        PCA   1  -6.391   8.528   1.134
    2    HA   PCA   1           HA       PCA   1  -7.953  10.443   2.086
    3   1HB   PCA   1          1HB       PCA   1  -6.667  11.793   3.386
    4   2HB   PCA   1          2HB       PCA   1  -6.008  12.453   1.907
    5   1HG   PCA   1          1HG       PCA   1  -4.692  11.011   3.733
    6   2HG   PCA   1          2HG       PCA   1  -4.230  11.205   2.026
    7    H    ASP   2           H        ASP   2  -6.317   9.365  -0.454
    8    HA   ASP   2           HA       ASP   2  -7.896  10.755  -2.376
    9   1HB   ASP   2          2HB       ASP   2  -6.174  12.565  -1.634
   10   2HB   ASP   2          1HB       ASP   2  -5.001  11.604  -2.529
   11    H    TRP   3           H        TRP   3  -8.130   8.967  -3.647
   12    HA   TRP   3           HA       TRP   3  -6.562   6.730  -3.864
   13   1HB   TRP   3          2HB       TRP   3  -8.562   6.622  -5.066
   14   2HB   TRP   3          1HB       TRP   3  -8.262   8.148  -5.893
   15    HD1  TRP   3           HD       TRP   3  -7.974   7.662  -8.352
   16    HE1  TRP   3           1HE      TRP   3  -6.685   5.936  -9.766
   17    HE3  TRP   3           3HE      TRP   3  -6.076   4.704  -4.636
   18    HZ2  TRP   3           2HZ      TRP   3  -5.069   3.613  -9.377
   19    HZ3  TRP   3           3HZ      TRP   3  -4.668   2.747  -5.190
   20    HH2  TRP   3           HH       TRP   3  -4.162   2.195  -7.553
   21    H    GLU   4           H        GLU   4  -5.854   9.863  -5.264
   22    HA   GLU   4           HA       GLU   4  -3.840   9.026  -7.117
   23   1HB   GLU   4          2HB       GLU   4  -4.084  11.619  -5.556
   24   2HB   GLU   4          1HB       GLU   4  -3.008  11.366  -6.931
   25   1HG   GLU   4          2HG       GLU   4  -4.971  10.827  -8.349
   26   2HG   GLU   4          1HG       GLU   4  -6.033  11.138  -6.975
   27    H    THR   5           H        THR   5  -2.988  10.860  -4.180
   28    HA   THR   5           HA       THR   5  -0.369   9.881  -3.993
   29    HB   THR   5           HB       THR   5  -1.396  11.729  -2.607
   30    HG1  THR   5           1HG      THR   5   0.314  11.487  -1.443
   31   1HG2  THR   5          1HG2      THR   5  -2.186   9.526  -0.709
   32   2HG2  THR   5          2HG2      THR   5  -3.328  10.180  -1.880
   33   3HG2  THR   5          3HG2      THR   5  -2.627  11.232  -0.651
   34    H    PHE   6           H        PHE   6  -3.306   8.542  -2.468
   35    HA   PHE   6           HA       PHE   6  -2.145   6.387  -1.095
   36   1HB   PHE   6          2HB       PHE   6  -4.630   7.101  -1.237
   37   2HB   PHE   6          1HB       PHE   6  -4.698   6.096  -2.683
   38    HD1  PHE   6           1HD      PHE   6  -4.735   3.713  -2.545
   39    HD2  PHE   6           2HD      PHE   6  -3.984   6.073   0.965
   40    HE1  PHE   6           1HE      PHE   6  -4.998   1.694  -1.132
   41    HE2  PHE   6           2HE      PHE   6  -4.245   4.056   2.376
   42    HZ   PHE   6           HZ       PHE   6  -4.756   1.863   1.327
   43    H    GLN   7           H        GLN   7  -2.512   6.938  -4.504
   44    HA   GLN   7           HA       GLN   7  -1.853   4.135  -5.173
   45   1HB   GLN   7          2HB       GLN   7  -3.485   5.354  -6.577
   46   2HB   GLN   7          1HB       GLN   7  -2.259   6.560  -6.956
   47   1HG   GLN   7          2HG       GLN   7  -1.727   3.648  -7.492
   48   2HG   GLN   7          1HG       GLN   7  -2.666   4.604  -8.637
   49   1HE2  GLN   7          1HE2      GLN   7  -1.409   7.042  -8.702
   50   2HE2  GLN   7          2HE2      GLN   7   0.217   6.879  -9.162
   51    H    LYS   8           H        LYS   8  -0.301   7.163  -4.619
   52    HA   LYS   8           HA       LYS   8   2.107   6.433  -6.165
   53   1HB   LYS   8          2HB       LYS   8   1.680   8.790  -4.313
   54   2HB   LYS   8          1HB       LYS   8   2.931   8.618  -5.544
   55   1HG   LYS   8          2HG       LYS   8   0.050   8.399  -6.374
   56   2HG   LYS   8          1HG       LYS   8   0.724   9.994  -6.061
   57   1HD   LYS   8          2HD       LYS   8   2.561   9.515  -7.661
   58   2HD   LYS   8          1HD       LYS   8   1.831   7.947  -8.004
   59   1HE   LYS   8          2HE       LYS   8   0.676  10.685  -8.567
   60   2HE   LYS   8          1HE       LYS   8   1.072   9.421  -9.731
   61   1HZ   LYS   8          1HZ       LYS   8  -1.279   9.747  -8.113
   62   2HZ   LYS   8          2HZ       LYS   8  -0.627   8.180  -8.032
   63   3HZ   LYS   8          3HZ       LYS   8  -1.058   8.849  -9.533
   64    H    LYS   9           H        LYS   9   1.368   7.111  -2.708
   65    HA   LYS   9           HA       LYS   9   4.004   6.016  -1.969
   66   1HB   LYS   9          2HB       LYS   9   3.415   6.729   0.312
   67   2HB   LYS   9          1HB       LYS   9   3.190   8.039  -0.846
   68   1HG   LYS   9          2HG       LYS   9   0.734   7.211  -0.988
   69   2HG   LYS   9          1HG       LYS   9   1.093   6.348   0.508
   70   1HD   LYS   9          2HD       LYS   9   1.968   8.597   1.398
   71   2HD   LYS   9          1HD       LYS   9   1.151   9.326   0.015
   72   1HE   LYS   9          2HE       LYS   9  -0.384   9.382   1.879
   73   2HE   LYS   9          1HE       LYS   9  -0.960   8.155   0.752
   74   1HZ   LYS   9          1HZ       LYS   9   0.269   7.830   3.388
   75   2HZ   LYS   9          2HZ       LYS   9   0.563   6.632   2.219
   76   3HZ   LYS   9          3HZ       LYS   9  -1.030   6.992   2.690
   77    H    HIS  10           H        HIS  10   0.595   5.244  -1.082
   78    HA   HIS  10           HA       HIS  10   1.338   2.875   0.372
   79   1HB   HIS  10          2HB       HIS  10  -1.252   3.890  -0.770
   80   2HB   HIS  10          1HB       HIS  10  -1.157   2.275  -0.074
   81    HD1  HIS  10           1HD      HIS  10  -0.064   2.244   2.462
   82    HD2  HIS  10           2HD      HIS  10  -1.652   5.865   1.131
   83    HE1  HIS  10           1HE      HIS  10  -0.437   3.667   4.526
   84    HE2  HIS  10           2HE      HIS  10  -1.403   5.872   3.727
   85    H    LEU  11           H        LEU  11   1.121   3.452  -3.033
   86    HA   LEU  11           HA       LEU  11   1.221   0.478  -3.457
   87   1HB   LEU  11          2HB       LEU  11  -0.232   2.636  -4.899
   88   2HB   LEU  11          1HB       LEU  11   0.501   1.389  -5.902
   89    HG   LEU  11           HG       LEU  11  -0.643  -0.346  -4.537
   90   1HD1  LEU  11          1HD1      LEU  11  -1.654   2.116  -3.121
   91   2HD1  LEU  11          2HD1      LEU  11  -0.997   0.636  -2.432
   92   3HD1  LEU  11          3HD1      LEU  11  -2.611   0.634  -3.133
   93   1HD2  LEU  11          1HD2      LEU  11  -2.293   1.807  -5.869
   94   2HD2  LEU  11          2HD2      LEU  11  -3.003   0.298  -5.297
   95   3HD2  LEU  11          3HD2      LEU  11  -1.760   0.268  -6.546
   96    H    THR  12           H        THR  12   2.792  -0.307  -4.879
   97    HA   THR  12           HA       THR  12   4.738   1.721  -5.927
   98    HB   THR  12           HB       THR  12   5.875   0.743  -4.077
   99    HG1  THR  12           1HG      THR  12   6.968  -1.052  -5.752
  100   1HG2  THR  12          1HG2      THR  12   5.925  -2.036  -4.572
  101   2HG2  THR  12          2HG2      THR  12   4.235  -1.559  -4.714
  102   3HG2  THR  12          3HG2      THR  12   5.129  -1.208  -3.237
  103    H    ASP  13           H        ASP  13   6.385  -0.093  -7.308
  104    HA   ASP  13           HA       ASP  13   4.451  -1.236  -9.294
  105   1HB   ASP  13          2HB       ASP  13   7.090   0.181  -9.710
  106   2HB   ASP  13          1HB       ASP  13   6.287  -0.746 -10.979
  107    H    THR  14           H        THR  14   6.466  -2.289  -6.957
  108    HA   THR  14           HA       THR  14   7.048  -4.761  -8.493
  109    HB   THR  14           HB       THR  14   9.073  -3.363  -8.743
  110    HG1  THR  14           1HG      THR  14   9.659  -5.417  -8.655
  111   1HG2  THR  14          1HG2      THR  14   8.715  -2.071  -6.626
  112   2HG2  THR  14          2HG2      THR  14  10.357  -2.692  -6.796
  113   3HG2  THR  14          3HG2      THR  14   9.216  -3.499  -5.721
  114    H    LYS  15           H        LYS  15   7.423  -6.596  -7.123
  115    HA   LYS  15           HA       LYS  15   6.017  -6.462  -4.582
  116   1HB   LYS  15          2HB       LYS  15   6.884  -8.894  -4.426
  117   2HB   LYS  15          1HB       LYS  15   5.782  -8.515  -5.750
  118   1HG   LYS  15          2HG       LYS  15   7.573  -8.376  -7.328
  119   2HG   LYS  15          1HG       LYS  15   8.789  -8.378  -6.051
  120   1HD   LYS  15          2HD       LYS  15   8.731 -10.594  -7.017
  121   2HD   LYS  15          1HD       LYS  15   8.008 -10.686  -5.411
  122   1HE   LYS  15          2HE       LYS  15   5.804 -10.790  -6.290
  123   2HE   LYS  15          1HE       LYS  15   6.329 -10.251  -7.885
  124   1HZ   LYS  15          1HZ       LYS  15   7.513 -12.300  -8.191
  125   2HZ   LYS  15          2HZ       LYS  15   5.905 -12.655  -7.771
  126   3HZ   LYS  15          3HZ       LYS  15   7.142 -12.809  -6.616
  127    H    LYS  16           H        LYS  16   9.243  -5.967  -5.589
  128    HA   LYS  16           HA       LYS  16  10.178  -6.092  -2.744
  129   1HB   LYS  16          2HB       LYS  16  11.723  -6.706  -5.283
  130   2HB   LYS  16          1HB       LYS  16  12.436  -6.621  -3.672
  131   1HG   LYS  16          2HG       LYS  16  11.416  -8.581  -2.961
  132   2HG   LYS  16          1HG       LYS  16  10.062  -8.406  -4.078
  133   1HD   LYS  16          2HD       LYS  16  11.347  -9.141  -5.931
  134   2HD   LYS  16          1HD       LYS  16  12.868  -8.927  -5.063
  135   1HE   LYS  16          2HE       LYS  16  12.316 -11.306  -5.148
  136   2HE   LYS  16          1HE       LYS  16  12.180 -10.735  -3.485
  137   1HZ   LYS  16          1HZ       LYS  16   9.984 -11.069  -3.466
  138   2HZ   LYS  16          2HZ       LYS  16  10.266 -12.084  -4.800
  139   3HZ   LYS  16          3HZ       LYS  16   9.764 -10.478  -5.040
  140    H    VAL  17           H        VAL  17   9.254  -3.771  -3.017
  141    HA   VAL  17           HA       VAL  17  10.383  -1.805  -4.664
  142    HB   VAL  17           HB       VAL  17   9.826  -0.182  -2.896
  143   1HG1  VAL  17          1HG1      VAL  17   7.672  -2.280  -2.916
  144   2HG1  VAL  17          2HG1      VAL  17   8.100  -1.404  -4.383
  145   3HG1  VAL  17          3HG1      VAL  17   7.503  -0.528  -2.974
  146   1HG2  VAL  17          1HG2      VAL  17   9.685  -2.705  -1.254
  147   2HG2  VAL  17          2HG2      VAL  17   8.711  -1.304  -0.809
  148   3HG2  VAL  17          3HG2      VAL  17  10.468  -1.172  -0.868
  149    H    LYS  18           H        LYS  18  11.865  -0.035  -3.908
  150    HA   LYS  18           HA       LYS  18  14.292  -1.272  -2.718
  151   1HB   LYS  18          2HB       LYS  18  15.264   1.032  -3.601
  152   2HB   LYS  18          1HB       LYS  18  14.960  -0.288  -4.733
  153   1HG   LYS  18          2HG       LYS  18  12.826   0.662  -5.368
  154   2HG   LYS  18          1HG       LYS  18  12.950   1.892  -4.111
  155   1HD   LYS  18          2HD       LYS  18  13.555   2.797  -6.340
  156   2HD   LYS  18          1HD       LYS  18  14.912   2.861  -5.216
  157   1HE   LYS  18          2HE       LYS  18  15.319   1.942  -7.630
  158   2HE   LYS  18          1HE       LYS  18  16.032   1.086  -6.263
  159   1HZ   LYS  18          1HZ       LYS  18  14.976  -0.502  -7.656
  160   2HZ   LYS  18          2HZ       LYS  18  13.535   0.396  -7.709
  161   3HZ   LYS  18          3HZ       LYS  18  14.022  -0.348  -6.261
  162    H    CYS  19           H        CYS  19  12.881  -1.036  -0.687
  163    HA   CYS  19           HA       CYS  19  11.944   1.064   0.651
  164   1HB   CYS  19          2HB       CYS  19  13.941  -0.970   1.621
  165   2HB   CYS  19          1HB       CYS  19  13.279   0.243   2.717
  166    H    ASP  20           H        ASP  20  15.445   0.667   0.080
  167    HA   ASP  20           HA       ASP  20  16.484   2.756   1.594
  168   1HB   ASP  20          2HB       ASP  20  17.949   1.342   0.285
  169   2HB   ASP  20          1HB       ASP  20  17.232   1.917  -1.221
  170    H    VAL  21           H        VAL  21  14.876   2.986  -1.559
  171    HA   VAL  21           HA       VAL  21  14.932   5.959  -1.327
  172    HB   VAL  21           HB       VAL  21  13.967   4.426  -3.732
  173   1HG1  VAL  21          1HG1      VAL  21  15.405   6.593  -4.609
  174   2HG1  VAL  21          2HG1      VAL  21  14.753   7.206  -3.092
  175   3HG1  VAL  21          3HG1      VAL  21  13.665   6.601  -4.339
  176   1HG2  VAL  21          1HG2      VAL  21  16.101   3.412  -3.279
  177   2HG2  VAL  21          2HG2      VAL  21  16.830   4.978  -2.921
  178   3HG2  VAL  21          3HG2      VAL  21  16.355   4.583  -4.573
  179    H    GLU  22           H        GLU  22  12.789   3.150  -1.620
  180    HA   GLU  22           HA       GLU  22  10.332   4.574  -1.904
  181   1HB   GLU  22          2HB       GLU  22  11.061   1.896  -1.677
  182   2HB   GLU  22          1HB       GLU  22  10.131   2.184  -0.209
  183   1HG   GLU  22          2HG       GLU  22   9.236   2.663  -3.065
  184   2HG   GLU  22          1HG       GLU  22   8.580   1.490  -1.922
  185    H    MET  23           H        MET  23  12.581   4.821   0.453
  186    HA   MET  23           HA       MET  23  10.573   5.740   2.474
  187   1HB   MET  23          2HB       MET  23  13.210   4.373   3.091
  188   2HB   MET  23          1HB       MET  23  11.990   4.884   4.256
  189   1HG   MET  23          2HG       MET  23  11.286   2.952   2.050
  190   2HG   MET  23          1HG       MET  23  12.034   2.383   3.537
  191   1HE   MET  23          1HE       MET  23   9.806   2.734   6.276
  192   2HE   MET  23          2HE       MET  23  10.444   4.345   5.965
  193   3HE   MET  23          3HE       MET  23  11.454   2.935   5.672
  194    H    ALA  24           H        ALA  24  13.981   5.942   1.411
  195    HA   ALA  24           HA       ALA  24  14.386   8.465   2.822
  196   1HB   ALA  24          1HB       ALA  24  16.185   6.725   2.276
  197   2HB   ALA  24          2HB       ALA  24  16.600   8.406   1.941
  198   3HB   ALA  24          3HB       ALA  24  16.125   7.335   0.623
  199    H    LYS  25           H        LYS  25  12.511   7.834   0.266
  200    HA   LYS  25           HA       LYS  25  13.297   9.595  -1.802
  201   1HB   LYS  25          2HB       LYS  25  10.735   8.427  -0.848
  202   2HB   LYS  25          1HB       LYS  25  10.586   9.850  -1.874
  203   1HG   LYS  25          2HG       LYS  25  11.431   8.786  -3.732
  204   2HG   LYS  25          1HG       LYS  25  12.509   7.764  -2.789
  205   1HD   LYS  25          2HD       LYS  25  10.979   6.159  -3.401
  206   2HD   LYS  25          1HD       LYS  25  10.167   6.741  -1.948
  207   1HE   LYS  25          2HE       LYS  25   8.486   6.747  -3.630
  208   2HE   LYS  25          1HE       LYS  25   8.986   8.432  -3.481
  209   1HZ   LYS  25          1HZ       LYS  25   8.821   7.466  -5.808
  210   2HZ   LYS  25          2HZ       LYS  25  10.241   6.608  -5.440
  211   3HZ   LYS  25          3HZ       LYS  25  10.243   8.307  -5.423
  212    H    ALA  26           H        ALA  26  11.254  11.514  -2.035
  213    HA   ALA  26           HA       ALA  26  12.081  13.440   0.084
  214   1HB   ALA  26          1HB       ALA  26  10.699  13.979  -2.560
  215   2HB   ALA  26          2HB       ALA  26  12.446  14.040  -2.322
  216   3HB   ALA  26          3HB       ALA  26  11.400  15.178  -1.473
  217    H    LEU  27           H        LEU  27   9.382  11.572  -0.967
  218    HA   LEU  27           HA       LEU  27   7.439  13.384   0.350
  219   1HB   LEU  27          2HB       LEU  27   5.724  12.002  -0.572
  220   2HB   LEU  27          1HB       LEU  27   6.933  12.194  -1.836
  221    HG   LEU  27           HG       LEU  27   7.861   9.944  -0.546
  222   1HD1  LEU  27          1HD1      LEU  27   5.831   8.469  -0.335
  223   2HD1  LEU  27          2HD1      LEU  27   4.827   9.911  -0.467
  224   3HD1  LEU  27          3HD1      LEU  27   5.925   9.722   0.900
  225   1HD2  LEU  27          1HD2      LEU  27   7.608  10.242  -2.979
  226   2HD2  LEU  27          2HD2      LEU  27   5.858  10.083  -2.822
  227   3HD2  LEU  27          3HD2      LEU  27   6.903   8.707  -2.467
  228    H    PHE  28           H        PHE  28   9.548  10.999   1.305
  229    HA   PHE  28           HA       PHE  28   7.750  10.116   3.537
  230   1HB   PHE  28          2HB       PHE  28  10.029   8.782   2.101
  231   2HB   PHE  28          1HB       PHE  28   9.670   8.330   3.764
  232    HD1  PHE  28           1HD      PHE  28   9.027   7.473   0.456
  233    HD2  PHE  28           2HD      PHE  28   6.984   8.061   4.191
  234    HE1  PHE  28           1HE      PHE  28   7.179   6.017  -0.323
  235    HE2  PHE  28           2HE      PHE  28   5.134   6.610   3.406
  236    HZ   PHE  28           HZ       PHE  28   5.234   5.584   1.151
  237    H    ASP  29           H        ASP  29  11.136  10.975   2.790
  238    HA   ASP  29           HA       ASP  29  12.561  12.399   4.040
  239   1HB   ASP  29          2HB       ASP  29  10.260  13.186   5.125
  240   2HB   ASP  29          1HB       ASP  29  10.833  12.222   6.488
  241    H    CYS  30           H        CYS  30  12.540   9.490   3.888
  242    HA   CYS  30           HA       CYS  30  13.614   7.655   4.871
  243   1HB   CYS  30          2HB       CYS  30  15.500   9.269   4.813
  244   2HB   CYS  30          1HB       CYS  30  15.040   9.842   6.415
  245    H    LYS  31           H        LYS  31  11.257   7.592   5.952
  246    HA   LYS  31           HA       LYS  31  11.070   8.186   8.765
  247   1HB   LYS  31          2HB       LYS  31   9.544   6.023   7.298
  248   2HB   LYS  31          1HB       LYS  31   9.035   6.899   8.735
  249   1HG   LYS  31          2HG       LYS  31   9.440   8.092   5.979
  250   2HG   LYS  31          1HG       LYS  31   7.885   7.748   6.724
  251   1HD   LYS  31          2HD       LYS  31   9.946   9.774   7.632
  252   2HD   LYS  31          1HD       LYS  31   8.331  10.096   7.012
  253   1HE   LYS  31          2HE       LYS  31   9.115   8.953   9.686
  254   2HE   LYS  31          1HE       LYS  31   8.039  10.302   9.331
  255   1HZ   LYS  31          1HZ       LYS  31   6.441   8.787   9.627
  256   2HZ   LYS  31          2HZ       LYS  31   7.484   7.468   9.390
  257   3HZ   LYS  31          3HZ       LYS  31   6.825   8.284   8.054
  258    H    LYS  32           H        LYS  32  10.013   5.276   9.155
  259    HA   LYS  32           HA       LYS  32  12.615   3.869   9.456
  260   1HB   LYS  32          2HB       LYS  32  12.054   3.269  11.796
  261   2HB   LYS  32          1HB       LYS  32  12.262   5.009  11.601
  262   1HG   LYS  32          2HG       LYS  32   9.803   5.266  11.398
  263   2HG   LYS  32          1HG       LYS  32   9.612   3.532  11.653
  264   1HD   LYS  32          2HD       LYS  32  10.904   5.452  13.614
  265   2HD   LYS  32          1HD       LYS  32   9.271   4.800  13.753
  266   1HE   LYS  32          2HE       LYS  32  10.414   3.276  15.073
  267   2HE   LYS  32          1HE       LYS  32  10.557   2.476  13.508
  268   1HZ   LYS  32          1HZ       LYS  32  12.656   4.122  13.446
  269   2HZ   LYS  32          2HZ       LYS  32  12.731   2.516  13.997
  270   3HZ   LYS  32          3HZ       LYS  32  12.581   3.793  15.109
  271    H    THR  33           H        THR  33   9.089   3.789   9.467
  272    HA   THR  33           HA       THR  33   9.226   0.932   8.609
  273    HB   THR  33           HB       THR  33   8.558   1.046  11.016
  274    HG1  THR  33           1HG      THR  33   6.476  -0.030  10.628
  275   1HG2  THR  33          1HG2      THR  33   6.567   2.167  11.698
  276   2HG2  THR  33          2HG2      THR  33   6.082   2.468  10.029
  277   3HG2  THR  33          3HG2      THR  33   7.457   3.331  10.717
  278    H    ASN  34           H        ASN  34   7.527   0.355   7.124
  279    HA   ASN  34           HA       ASN  34   5.430   2.229   6.436
  280   1HB   ASN  34          2HB       ASN  34   7.680   3.179   5.481
  281   2HB   ASN  34          1HB       ASN  34   7.484   1.924   4.258
  282   1HD2  ASN  34          1HD2      ASN  34   4.889   1.886   3.568
  283   2HD2  ASN  34          2HD2      ASN  34   4.314   3.415   3.110
  284    H    THR  35           H        THR  35   4.023   1.383   4.813
  285    HA   THR  35           HA       THR  35   4.635  -1.396   3.892
  286    HB   THR  35           HB       THR  35   2.108  -0.358   5.201
  287    HG1  THR  35           1HG      THR  35   3.377  -2.776   5.771
  288   1HG2  THR  35          1HG2      THR  35   2.556  -2.745   3.421
  289   2HG2  THR  35          2HG2      THR  35   1.231  -1.583   3.399
  290   3HG2  THR  35          3HG2      THR  35   1.329  -2.785   4.685
  291    H    PHE  36           H        PHE  36   3.546  -1.965   1.898
  292    HA   PHE  36           HA       PHE  36   2.078   0.202   0.498
  293   1HB   PHE  36          2HB       PHE  36   4.208  -1.085  -1.141
  294   2HB   PHE  36          1HB       PHE  36   3.553   0.542  -1.237
  295    HD1  PHE  36           1HD      PHE  36   4.302   2.281   0.428
  296    HD2  PHE  36           2HD      PHE  36   6.159  -1.575   0.130
  297    HE1  PHE  36           1HE      PHE  36   6.300   3.142   1.621
  298    HE2  PHE  36           2HE      PHE  36   8.142  -0.722   1.330
  299    HZ   PHE  36           HZ       PHE  36   8.220   1.633   2.060
  300    H    ILE  37           H        ILE  37   1.328  -0.745  -1.744
  301    HA   ILE  37           HA       ILE  37   0.758  -3.664  -1.389
  302    HB   ILE  37           HB       ILE  37  -1.053  -1.615  -2.680
  303   1HG1  ILE  37          2HG1      ILE  37  -1.684  -2.866  -0.028
  304   2HG1  ILE  37          1HG1      ILE  37  -0.526  -1.543  -0.042
  305   1HG2  ILE  37          1HG2      ILE  37  -1.420  -4.495  -1.817
  306   2HG2  ILE  37          2HG2      ILE  37  -1.444  -3.872  -3.466
  307   3HG2  ILE  37          3HG2      ILE  37  -2.737  -3.448  -2.346
  308   1HD1  ILE  37          1HD1      ILE  37  -2.103   0.016  -0.565
  309   2HD1  ILE  37          2HD1      ILE  37  -3.202  -1.171   0.132
  310   3HD1  ILE  37          3HD1      ILE  37  -2.998  -1.084  -1.616
  311    H    TYR  38           H        TYR  38   1.180  -4.960  -3.120
  312    HA   TYR  38           HA       TYR  38   2.288  -3.625  -5.553
  313   1HB   TYR  38          2HB       TYR  38   3.737  -5.304  -4.518
  314   2HB   TYR  38          1HB       TYR  38   2.446  -6.501  -4.603
  315    HD1  TYR  38           1HD      TYR  38   4.124  -4.050  -6.907
  316    HD2  TYR  38           2HD      TYR  38   2.576  -8.022  -6.361
  317    HE1  TYR  38           1HE      TYR  38   4.824  -4.640  -9.212
  318    HE2  TYR  38           2HE      TYR  38   3.277  -8.609  -8.666
  319    HH   TYR  38           HH       TYR  38   3.977  -7.756 -10.648
  320    H    ALA  39           H        ALA  39   0.496  -3.151  -6.828
  321    HA   ALA  39           HA       ALA  39  -0.822  -5.403  -8.126
  322   1HB   ALA  39          1HB       ALA  39  -2.258  -5.351  -6.198
  323   2HB   ALA  39          2HB       ALA  39  -3.143  -4.573  -7.510
  324   3HB   ALA  39          3HB       ALA  39  -2.376  -3.593  -6.261
  325    H    LEU  40           H        LEU  40  -2.302  -4.601  -9.879
  326    HA   LEU  40           HA       LEU  40  -1.176  -2.163 -11.057
  327   1HB   LEU  40          2HB       LEU  40  -1.896  -2.990 -13.070
  328   2HB   LEU  40          1HB       LEU  40  -1.908  -4.496 -12.163
  329    HG   LEU  40           HG       LEU  40  -4.400  -3.664 -11.576
  330   1HD1  LEU  40          1HD1      LEU  40  -5.405  -2.469 -13.382
  331   2HD1  LEU  40          2HD1      LEU  40  -3.970  -2.640 -14.388
  332   3HD1  LEU  40          3HD1      LEU  40  -3.941  -1.575 -12.988
  333   1HD2  LEU  40          1HD2      LEU  40  -3.420  -5.075 -14.069
  334   2HD2  LEU  40          2HD2      LEU  40  -5.127  -4.983 -13.633
  335   3HD2  LEU  40          3HD2      LEU  40  -3.988  -5.807 -12.568
  336    HA   PRO  41           HA       PRO  41  -4.213   0.666  -9.622
  337   1HB   PRO  41          2HB       PRO  41  -4.582   2.218 -11.911
  338   2HB   PRO  41          1HB       PRO  41  -3.268   2.418 -10.737
  339   1HG   PRO  41          2HG       PRO  41  -3.256   1.038 -13.373
  340   2HG   PRO  41          1HG       PRO  41  -1.994   2.013 -12.599
  341   1HD   PRO  41          2HD       PRO  41  -1.860  -0.688 -12.661
  342   2HD   PRO  41          1HD       PRO  41  -1.246   0.245 -11.278
  343    H    GLY  42           H        GLY  42  -5.053  -0.203 -13.013
  344   1HA   GLY  42          2HA       GLY  42  -7.786   0.274 -12.926
  345   2HA   GLY  42          1HA       GLY  42  -7.092  -1.051 -13.856
  346    H    ARG  43           H        ARG  43  -6.176  -2.740 -11.879
  347    HA   ARG  43           HA       ARG  43  -8.572  -4.045 -11.023
  348   1HB   ARG  43          2HB       ARG  43  -6.311  -5.123 -11.469
  349   2HB   ARG  43          1HB       ARG  43  -5.801  -4.501  -9.899
  350   1HG   ARG  43          2HG       ARG  43  -7.345  -5.841  -8.726
  351   2HG   ARG  43          1HG       ARG  43  -8.327  -6.130 -10.162
  352   1HD   ARG  43          2HD       ARG  43  -7.033  -8.139  -9.641
  353   2HD   ARG  43          1HD       ARG  43  -6.453  -7.435 -11.150
  354    HE   ARG  43           HE       ARG  43  -4.416  -6.866 -10.063
  355   1HH1  ARG  43          1HH2      ARG  43  -6.858  -7.957  -7.885
  356   2HH1  ARG  43          2HH2      ARG  43  -5.776  -8.112  -6.541
  357   1HH2  ARG  43          1HH1      ARG  43  -2.992  -7.062  -8.321
  358   2HH2  ARG  43          2HH1      ARG  43  -3.587  -7.606  -6.788
  359    H    VAL  44           H        VAL  44  -6.425  -1.735  -9.468
  360    HA   VAL  44           HA       VAL  44  -7.476  -2.195  -6.792
  361    HB   VAL  44           HB       VAL  44  -5.851   0.065  -7.990
  362   1HG1  VAL  44          1HG1      VAL  44  -6.873  -0.402  -5.184
  363   2HG1  VAL  44          2HG1      VAL  44  -6.994   1.062  -6.160
  364   3HG1  VAL  44          3HG1      VAL  44  -5.435   0.570  -5.497
  365   1HG2  VAL  44          1HG2      VAL  44  -4.998  -1.977  -5.934
  366   2HG2  VAL  44          2HG2      VAL  44  -3.985  -0.989  -6.985
  367   3HG2  VAL  44          3HG2      VAL  44  -4.909  -2.331  -7.659
  368    H    LYS  45           H        LYS  45  -7.818   0.556  -9.074
  369    HA   LYS  45           HA       LYS  45  -9.943   1.787  -7.576
  370   1HB   LYS  45          2HB       LYS  45 -10.295   3.160  -9.570
  371   2HB   LYS  45          1HB       LYS  45  -8.563   2.982  -9.284
  372   1HG   LYS  45          2HG       LYS  45  -8.641   0.998 -10.890
  373   2HG   LYS  45          1HG       LYS  45 -10.262   1.536 -11.326
  374   1HD   LYS  45          2HD       LYS  45  -7.720   3.177 -11.547
  375   2HD   LYS  45          1HD       LYS  45  -8.617   2.470 -12.890
  376   1HE   LYS  45          2HE       LYS  45  -9.437   4.730 -11.071
  377   2HE   LYS  45          1HE       LYS  45  -9.375   4.705 -12.832
  378   1HZ   LYS  45          1HZ       LYS  45 -11.125   2.867 -12.612
  379   2HZ   LYS  45          2HZ       LYS  45 -11.615   4.475 -12.365
  380   3HZ   LYS  45          3HZ       LYS  45 -11.349   3.451 -11.035
  381    H    ALA  46           H        ALA  46  -9.815  -0.887  -9.735
  382    HA   ALA  46           HA       ALA  46 -12.571  -0.830 -10.617
  383   1HB   ALA  46          1HB       ALA  46 -12.059  -3.318 -11.085
  384   2HB   ALA  46          2HB       ALA  46 -10.428  -2.955 -10.531
  385   3HB   ALA  46          3HB       ALA  46 -11.082  -2.127 -11.942
  386    H    LEU  47           H        LEU  47 -10.838  -2.578  -8.031
  387    HA   LEU  47           HA       LEU  47 -13.056  -4.044  -7.051
  388   1HB   LEU  47          2HB       LEU  47 -10.363  -3.711  -6.349
  389   2HB   LEU  47          1HB       LEU  47 -11.244  -3.147  -4.932
  390    HG   LEU  47           HG       LEU  47 -12.649  -5.323  -5.231
  391   1HD1  LEU  47          1HD1      LEU  47 -10.130  -6.007  -6.778
  392   2HD1  LEU  47          2HD1      LEU  47 -11.764  -5.934  -7.439
  393   3HD1  LEU  47          3HD1      LEU  47 -11.347  -7.173  -6.256
  394   1HD2  LEU  47          1HD2      LEU  47  -9.746  -5.469  -4.360
  395   2HD2  LEU  47          2HD2      LEU  47 -11.028  -6.573  -3.864
  396   3HD2  LEU  47          3HD2      LEU  47 -11.079  -4.883  -3.364
  397    H    CYS  48           H        CYS  48 -12.839  -0.762  -7.294
  398    HA   CYS  48           HA       CYS  48 -14.494  -0.302  -4.839
  399   1HB   CYS  48          2HB       CYS  48 -12.525   1.392  -6.331
  400   2HB   CYS  48          1HB       CYS  48 -13.885   2.197  -5.555
  401    H    LYS  49           H        LYS  49 -15.096  -1.211  -7.761
  402    HA   LYS  49           HA       LYS  49 -16.855   0.970  -8.670
  403   1HB   LYS  49          2HB       LYS  49 -17.147  -0.308 -10.645
  404   2HB   LYS  49          1HB       LYS  49 -15.467  -0.580 -10.183
  405   1HG   LYS  49          2HG       LYS  49 -16.320  -2.650  -8.919
  406   2HG   LYS  49          1HG       LYS  49 -17.823  -2.438  -9.820
  407   1HD   LYS  49          2HD       LYS  49 -15.067  -2.767 -11.044
  408   2HD   LYS  49          1HD       LYS  49 -16.317  -4.010 -10.981
  409   1HE   LYS  49          2HE       LYS  49 -17.821  -2.306 -12.198
  410   2HE   LYS  49          1HE       LYS  49 -16.334  -1.420 -12.533
  411   1HZ   LYS  49          1HZ       LYS  49 -17.247  -3.982 -13.574
  412   2HZ   LYS  49          2HZ       LYS  49 -15.585  -3.844 -13.253
  413   3HZ   LYS  49          3HZ       LYS  49 -16.338  -2.766 -14.329
  414    H    ASN  50           H        ASN  50 -19.091   0.941  -8.533
  415    HA   ASN  50           HA       ASN  50 -21.241   0.195  -7.944
  416   1HB   ASN  50          2HB       ASN  50 -20.165  -2.088  -8.809
  417   2HB   ASN  50          1HB       ASN  50 -20.225  -2.494  -7.094
  418   1HD2  ASN  50          1HD2      ASN  50 -22.691  -0.587  -6.918
  419   2HD2  ASN  50          2HD2      ASN  50 -23.967  -1.551  -7.488
  420    H    ILE  51           H        ILE  51 -18.565   0.393  -5.955
  421    HA   ILE  51           HA       ILE  51 -19.848  -0.427  -3.462
  422    HB   ILE  51           HB       ILE  51 -17.342   1.206  -3.963
  423   1HG1  ILE  51          2HG1      ILE  51 -17.158  -1.056  -4.873
  424   2HG1  ILE  51          1HG1      ILE  51 -16.187  -0.935  -3.408
  425   1HG2  ILE  51          1HG2      ILE  51 -17.911   1.694  -1.746
  426   2HG2  ILE  51          2HG2      ILE  51 -16.863   0.289  -1.567
  427   3HG2  ILE  51          3HG2      ILE  51 -18.613   0.099  -1.473
  428   1HD1  ILE  51          1HD1      ILE  51 -18.419  -1.780  -2.244
  429   2HD1  ILE  51          2HD1      ILE  51 -17.310  -2.922  -2.999
  430   3HD1  ILE  51          3HD1      ILE  51 -18.758  -2.404  -3.859
  431    H    ARG  52           H        ARG  52 -19.847   1.306  -1.637
  432    HA   ARG  52           HA       ARG  52 -21.381   3.645  -2.675
  433   1HB   ARG  52          2HB       ARG  52 -21.196   2.570   0.155
  434   2HB   ARG  52          1HB       ARG  52 -22.308   3.810  -0.426
  435   1HG   ARG  52          2HG       ARG  52 -23.378   2.202  -1.922
  436   2HG   ARG  52          1HG       ARG  52 -22.221   0.957  -1.451
  437   1HD   ARG  52          2HD       ARG  52 -23.033   1.032   0.857
  438   2HD   ARG  52          1HD       ARG  52 -24.143   2.340   0.445
  439    HE   ARG  52           HE       ARG  52 -24.799   0.278  -1.311
  440   1HH1  ARG  52          1HH2      ARG  52 -24.505   0.729   2.094
  441   2HH1  ARG  52          2HH2      ARG  52 -25.732  -0.428   2.488
  442   1HH2  ARG  52          1HH1      ARG  52 -26.403  -1.237  -0.816
  443   2HH2  ARG  52          2HH1      ARG  52 -26.806  -1.541   0.841
  444    H    ASP  53           H        ASP  53 -21.102   5.282  -0.393
  445    HA   ASP  53           HA       ASP  53 -18.739   6.745  -0.980
  446   1HB   ASP  53          2HB       ASP  53 -19.249   8.046   0.994
  447   2HB   ASP  53          1HB       ASP  53 -20.767   7.639   0.194
  448    H    ASN  54           H        ASN  54 -17.867   7.193   1.746
  449    HA   ASN  54           HA       ASN  54 -15.639   5.402   1.818
  450   1HB   ASN  54          2HB       ASN  54 -15.298   6.368   4.142
  451   2HB   ASN  54          1HB       ASN  54 -15.407   7.559   2.846
  452   1HD2  ASN  54          1HD2      ASN  54 -17.260   8.966   2.806
  453   2HD2  ASN  54          2HD2      ASN  54 -18.411   8.994   4.055
  454    H    THR  55           H        THR  55 -15.833   3.279   2.232
  455    HA   THR  55           HA       THR  55 -17.293   2.434   4.676
  456    HB   THR  55           HB       THR  55 -17.696   0.572   2.431
  457    HG1  THR  55           1HG      THR  55 -19.445   2.658   2.238
  458   1HG2  THR  55          1HG2      THR  55 -18.787   0.486   4.697
  459   2HG2  THR  55          2HG2      THR  55 -19.927   0.461   3.353
  460   3HG2  THR  55          3HG2      THR  55 -19.674   1.947   4.267
  461    H    ASP  56           H        ASP  56 -16.549   0.327   5.442
  462    HA   ASP  56           HA       ASP  56 -13.720  -0.104   4.833
  463   1HB   ASP  56          2HB       ASP  56 -13.935  -1.909   6.578
  464   2HB   ASP  56          1HB       ASP  56 -14.420  -0.308   7.139
  465    H    VAL  57           H        VAL  57 -12.936  -1.567   3.402
  466    HA   VAL  57           HA       VAL  57 -14.765  -3.747   2.463
  467    HB   VAL  57           HB       VAL  57 -13.963  -3.502   0.249
  468   1HG1  VAL  57          1HG1      VAL  57 -15.480  -1.661   1.039
  469   2HG1  VAL  57          2HG1      VAL  57 -14.434  -1.187  -0.299
  470   3HG1  VAL  57          3HG1      VAL  57 -14.050  -0.677   1.345
  471   1HG2  VAL  57          1HG2      VAL  57 -11.737  -1.928   1.543
  472   2HG2  VAL  57          2HG2      VAL  57 -12.064  -1.791  -0.184
  473   3HG2  VAL  57          3HG2      VAL  57 -11.614  -3.350   0.509
  474    H    LEU  58           H        LEU  58 -13.472  -5.639   1.558
  475    HA   LEU  58           HA       LEU  58 -10.871  -5.989   3.002
  476   1HB   LEU  58          2HB       LEU  58 -13.320  -7.225   3.652
  477   2HB   LEU  58          1HB       LEU  58 -12.427  -8.456   2.769
  478    HG   LEU  58           HG       LEU  58 -12.027  -8.527   5.229
  479   1HD1  LEU  58          1HD1      LEU  58 -10.334  -9.220   3.446
  480   2HD1  LEU  58          2HD1      LEU  58  -9.694  -8.903   5.057
  481   3HD1  LEU  58          3HD1      LEU  58  -9.509  -7.697   3.783
  482   1HD2  LEU  58          1HD2      LEU  58 -10.228  -6.194   5.212
  483   2HD2  LEU  58          2HD2      LEU  58 -11.382  -6.718   6.435
  484   3HD2  LEU  58          3HD2      LEU  58 -11.934  -5.769   5.056
  485    H    SER  59           H        SER  59  -9.277  -7.015   1.753
  486    HA   SER  59           HA       SER  59  -9.588  -7.163  -1.048
  487   1HB   SER  59          2HB       SER  59  -7.516  -7.729   0.820
  488   2HB   SER  59          1HB       SER  59  -7.636  -9.102  -0.275
  489    HG   SER  59           HG       SER  59  -6.596  -6.700  -0.726
  490    H    ARG  60           H        ARG  60  -9.354  -9.286  -2.352
  491    HA   ARG  60           HA       ARG  60 -11.684 -10.879  -1.840
  492   1HB   ARG  60          2HB       ARG  60 -10.594 -10.437  -4.097
  493   2HB   ARG  60          1HB       ARG  60  -9.377 -11.631  -3.647
  494   1HG   ARG  60          2HG       ARG  60 -11.218 -13.286  -3.263
  495   2HG   ARG  60          1HG       ARG  60 -12.363 -12.094  -3.880
  496   1HD   ARG  60          2HD       ARG  60 -10.131 -13.485  -5.359
  497   2HD   ARG  60          1HD       ARG  60 -11.846 -13.427  -5.767
  498    HE   ARG  60           HE       ARG  60 -11.121 -10.785  -5.903
  499   1HH1  ARG  60          1HH2      ARG  60  -9.811 -13.725  -7.138
  500   2HH1  ARG  60          2HH2      ARG  60  -9.139 -12.986  -8.554
  501   1HH2  ARG  60          1HH1      ARG  60 -10.252  -9.803  -7.744
  502   2HH2  ARG  60          2HH1      ARG  60  -9.389 -10.766  -8.896
  503    H    ASP  61           H        ASP  61  -8.201 -11.670  -1.617
  504    HA   ASP  61           HA       ASP  61  -8.862 -13.615   0.522
  505   1HB   ASP  61          2HB       ASP  61  -7.225 -14.436  -1.892
  506   2HB   ASP  61          1HB       ASP  61  -7.748 -15.462  -0.554
  507    H    ALA  62           H        ALA  62  -6.044 -12.819  -1.553
  508    HA   ALA  62           HA       ALA  62  -4.644 -11.804   0.853
  509   1HB   ALA  62          1HB       ALA  62  -3.251 -13.804  -0.918
  510   2HB   ALA  62          2HB       ALA  62  -4.214 -14.338   0.458
  511   3HB   ALA  62          3HB       ALA  62  -2.822 -13.286   0.712
  512    H    PHE  63           H        PHE  63  -2.648 -10.632   0.271
  513    HA   PHE  63           HA       PHE  63  -2.324  -9.952  -2.590
  514   1HB   PHE  63          2HB       PHE  63  -3.404  -8.108  -0.489
  515   2HB   PHE  63          1HB       PHE  63  -2.284  -7.434  -1.674
  516    HD1  PHE  63           1HD      PHE  63  -2.948  -7.050  -3.931
  517    HD2  PHE  63           2HD      PHE  63  -5.500  -9.269  -1.285
  518    HE1  PHE  63           1HE      PHE  63  -4.774  -6.946  -5.605
  519    HE2  PHE  63           2HE      PHE  63  -7.325  -9.167  -2.959
  520    HZ   PHE  63           HZ       PHE  63  -6.963  -8.004  -5.119
  521    H    LEU  64           H        LEU  64  -0.183  -9.665  -3.024
  522    HA   LEU  64           HA       LEU  64   1.745  -9.906  -0.844
  523   1HB   LEU  64          2HB       LEU  64   1.970 -10.904  -3.190
  524   2HB   LEU  64          1HB       LEU  64   2.338  -9.273  -3.743
  525    HG   LEU  64           HG       LEU  64   3.846 -10.614  -1.485
  526   1HD1  LEU  64          1HD1      LEU  64   5.637 -10.904  -3.299
  527   2HD1  LEU  64          2HD1      LEU  64   4.342 -10.642  -4.466
  528   3HD1  LEU  64          3HD1      LEU  64   4.268 -12.015  -3.360
  529   1HD2  LEU  64          1HD2      LEU  64   4.342  -8.342  -1.352
  530   2HD2  LEU  64          2HD2      LEU  64   4.116  -8.080  -3.081
  531   3HD2  LEU  64          3HD2      LEU  64   5.578  -8.868  -2.491
  532    H    LEU  65           H        LEU  65   2.191  -8.110   0.377
  533    HA   LEU  65           HA       LEU  65   2.433  -5.510  -1.081
  534   1HB   LEU  65          2HB       LEU  65   2.130  -5.005   1.701
  535   2HB   LEU  65          1HB       LEU  65   1.021  -4.601   0.407
  536    HG   LEU  65           HG       LEU  65   1.036  -7.370   1.569
  537   1HD1  LEU  65          1HD1      LEU  65  -0.355  -4.880   2.599
  538   2HD1  LEU  65          2HD1      LEU  65   0.804  -5.882   3.472
  539   3HD1  LEU  65          3HD1      LEU  65  -0.792  -6.520   3.079
  540   1HD2  LEU  65          1HD2      LEU  65  -0.214  -6.966  -0.522
  541   2HD2  LEU  65          2HD2      LEU  65  -1.039  -5.600   0.220
  542   3HD2  LEU  65          3HD2      LEU  65  -1.341  -7.234   0.806
  543    HA   PRO  66           HA       PRO  66   6.651  -5.869   0.471
  544   1HB   PRO  66          2HB       PRO  66   7.599  -3.581  -0.706
  545   2HB   PRO  66          1HB       PRO  66   7.411  -5.116  -1.569
  546   1HG   PRO  66          2HG       PRO  66   5.730  -2.691  -1.652
  547   2HG   PRO  66          1HG       PRO  66   6.051  -3.884  -2.911
  548   1HD   PRO  66          2HD       PRO  66   3.717  -3.741  -1.399
  549   2HD   PRO  66          1HD       PRO  66   4.266  -5.168  -2.307
  550    H    GLN  67           H        GLN  67   7.781  -4.814   2.220
  551    HA   GLN  67           HA       GLN  67   6.655  -2.238   3.160
  552   1HB   GLN  67          2HB       GLN  67   6.982  -4.442   5.180
  553   2HB   GLN  67          1HB       GLN  67   5.960  -3.006   5.254
  554   1HG   GLN  67          2HG       GLN  67   4.535  -3.963   3.453
  555   2HG   GLN  67          1HG       GLN  67   5.526  -5.421   3.472
  556   1HE2  GLN  67          1HE2      GLN  67   4.097  -6.940   4.406
  557   2HE2  GLN  67          2HE2      GLN  67   3.365  -6.739   5.924
  558    H    CYS  68           H        CYS  68   8.087  -1.046   4.464
  559    HA   CYS  68           HA       CYS  68  10.897  -2.077   4.456
  560   1HB   CYS  68          2HB       CYS  68   9.886   0.749   4.879
  561   2HB   CYS  68          1HB       CYS  68  11.566   0.257   4.663
  562    H    ASP  69           H        ASP  69  12.027  -2.304   6.373
  563    HA   ASP  69           HA       ASP  69  10.673  -1.412   8.889
  564   1HB   ASP  69          2HB       ASP  69  11.629  -4.173   8.152
  565   2HB   ASP  69          1HB       ASP  69  11.567  -3.667   9.840
  566    H    ARG  70           H        ARG  70  12.085  -0.101   9.934
  567    HA   ARG  70           HA       ARG  70  14.906  -0.025   9.311
  568   1HB   ARG  70          2HB       ARG  70  13.425   1.874  10.233
  569   2HB   ARG  70          1HB       ARG  70  13.652   1.118  11.809
  570   1HG   ARG  70          2HG       ARG  70  16.175   1.191  11.282
  571   2HG   ARG  70          1HG       ARG  70  15.745   2.313   9.990
  572   1HD   ARG  70          2HD       ARG  70  16.249   3.683  11.875
  573   2HD   ARG  70          1HD       ARG  70  14.489   3.655  11.771
  574    HE   ARG  70           HE       ARG  70  15.459   1.544  13.490
  575   1HH1  ARG  70          1HH2      ARG  70  14.855   4.928  13.229
  576   2HH1  ARG  70          2HH2      ARG  70  14.595   5.148  14.928
  577   1HH2  ARG  70          1HH1      ARG  70  15.125   1.811  15.708
  578   2HH2  ARG  70          2HH1      ARG  70  14.748   3.383  16.332
  579    H    ILE  71           H        ILE  71  16.617  -0.990  10.386
  580    HA   ILE  71           HA       ILE  71  16.053  -2.460  12.912
  581    HB   ILE  71           HB       ILE  71  17.269  -3.667  10.409
  582   1HG1  ILE  71          2HG1      ILE  71  14.899  -4.512  12.111
  583   2HG1  ILE  71          1HG1      ILE  71  14.769  -3.628  10.591
  584   1HG2  ILE  71          1HG2      ILE  71  17.471  -5.723  11.909
  585   2HG2  ILE  71          2HG2      ILE  71  17.204  -4.642  13.275
  586   3HG2  ILE  71          3HG2      ILE  71  18.616  -4.425  12.243
  587   1HD1  ILE  71          1HD1      ILE  71  15.739  -6.446  11.043
  588   2HD1  ILE  71          2HD1      ILE  71  16.177  -5.558   9.584
  589   3HD1  ILE  71          3HD1      ILE  71  14.481  -5.878   9.947
  590    H    LYS  72           H        LYS  72  18.428  -1.192  10.603
  591    HA   LYS  72           HA       LYS  72  20.223  -0.608  12.891
  592   1HB   LYS  72          2HB       LYS  72  22.150  -1.479  11.330
  593   2HB   LYS  72          1HB       LYS  72  21.238  -2.632  12.304
  594   1HG   LYS  72          2HG       LYS  72  19.825  -3.199  10.416
  595   2HG   LYS  72          1HG       LYS  72  20.562  -1.935   9.433
  596   1HD   LYS  72          2HD       LYS  72  22.646  -3.078   9.335
  597   2HD   LYS  72          1HD       LYS  72  22.191  -4.175  10.639
  598   1HE   LYS  72          2HE       LYS  72  22.069  -5.121   8.254
  599   2HE   LYS  72          1HE       LYS  72  20.640  -5.339   9.262
  600   1HZ   LYS  72          1HZ       LYS  72  19.681  -3.356   8.245
  601   2HZ   LYS  72          2HZ       LYS  72  20.026  -4.546   7.082
  602   3HZ   LYS  72          3HZ       LYS  72  21.044  -3.195   7.248
  603    H    LEU  73           H        LEU  73  22.196   0.694  11.981
  604    HA   LEU  73           HA       LEU  73  22.918   2.647  10.915
  605   1HB   LEU  73          2HB       LEU  73  21.079   1.955   8.621
  606   2HB   LEU  73          1HB       LEU  73  22.658   2.731   8.567
  607    HG   LEU  73           HG       LEU  73  22.082  -0.172   9.195
  608   1HD1  LEU  73          1HD1      LEU  73  23.664  -0.470   7.246
  609   2HD1  LEU  73          2HD1      LEU  73  23.567   1.272   6.986
  610   3HD1  LEU  73          3HD1      LEU  73  22.122   0.275   6.827
  611   1HD2  LEU  73          1HD2      LEU  73  24.588   1.491   9.511
  612   2HD2  LEU  73          2HD2      LEU  73  24.654  -0.259   9.302
  613   3HD2  LEU  73          3HD2      LEU  73  23.829   0.430  10.699
  614    HA   PRO  74           HA       PRO  74  19.600   5.554  11.476
  615   1HB   PRO  74          2HB       PRO  74  20.480   7.755  10.145
  616   2HB   PRO  74          1HB       PRO  74  21.293   7.118  11.586
  617   1HG   PRO  74          2HG       PRO  74  22.152   7.056   8.785
  618   2HG   PRO  74          1HG       PRO  74  23.107   6.870  10.261
  619   1HD   PRO  74          2HD       PRO  74  22.104   4.791   8.504
  620   2HD   PRO  74          1HD       PRO  74  23.141   4.612   9.935
  621    H    CYS  75           H        CYS  75  20.398   5.155   8.038
  622    HA   CYS  75           HA       CYS  75  17.517   5.660   7.414
  623   1HB   CYS  75          2HB       CYS  75  19.184   7.562   6.798
  624   2HB   CYS  75          1HB       CYS  75  19.711   6.471   5.516
  625    H    HIS  76           H        HIS  76  18.105   3.135   7.778
  626    HA   HIS  76           HA       HIS  76  18.224   2.018   5.026
  627   1HB   HIS  76          2HB       HIS  76  20.504   1.884   6.289
  628   2HB   HIS  76          1HB       HIS  76  19.711   0.651   7.269
  629    HD1  HIS  76           1HD      HIS  76  19.551   1.308   3.507
  630    HD2  HIS  76           2HD      HIS  76  20.518  -1.754   6.170
  631    HE1  HIS  76           1HE      HIS  76  20.061  -0.736   2.097
  632    HE2  HIS  76           2HE      HIS  76  20.651  -2.604   3.708
  633    H    TYR  77           H        TYR  77  16.902   0.156   4.809
  634    HA   TYR  77           HA       TYR  77  15.545  -0.796   7.292
  635   1HB   TYR  77          2HB       TYR  77  13.883  -0.494   4.830
  636   2HB   TYR  77          1HB       TYR  77  13.418  -0.344   6.524
  637    HD1  TYR  77           1HD      TYR  77  13.204   1.781   7.504
  638    HD2  TYR  77           2HD      TYR  77  15.447   1.339   3.869
  639    HE1  TYR  77           1HE      TYR  77  13.426   4.243   7.341
  640    HE2  TYR  77           2HE      TYR  77  15.669   3.804   3.705
  641    HH   TYR  77           HH       TYR  77  14.615   5.918   6.308
  642    H    LYS  78           H        LYS  78  14.193  -2.801   6.762
  643    HA   LYS  78           HA       LYS  78  15.780  -4.547   4.927
  644   1HB   LYS  78          2HB       LYS  78  15.726  -5.214   7.323
  645   2HB   LYS  78          1HB       LYS  78  13.967  -5.304   7.244
  646   1HG   LYS  78          2HG       LYS  78  15.337  -6.831   5.115
  647   2HG   LYS  78          1HG       LYS  78  15.669  -7.418   6.744
  648   1HD   LYS  78          2HD       LYS  78  13.271  -7.593   7.205
  649   2HD   LYS  78          1HD       LYS  78  12.898  -6.929   5.613
  650   1HE   LYS  78          2HE       LYS  78  14.064  -8.849   4.559
  651   2HE   LYS  78          1HE       LYS  78  14.371  -9.523   6.159
  652   1HZ   LYS  78          1HZ       LYS  78  11.967  -9.570   6.533
  653   2HZ   LYS  78          2HZ       LYS  78  12.416 -10.520   5.198
  654   3HZ   LYS  78          3HZ       LYS  78  11.706  -8.995   4.959
  655    H    LEU  79           H        LEU  79  14.614  -5.929   3.489
  656    HA   LEU  79           HA       LEU  79  11.980  -4.837   2.713
  657   1HB   LEU  79          2HB       LEU  79  14.068  -5.522   1.183
  658   2HB   LEU  79          1HB       LEU  79  13.268  -7.093   1.226
  659    HG   LEU  79           HG       LEU  79  11.954  -4.481   0.413
  660   1HD1  LEU  79          1HD1      LEU  79  12.545  -6.861  -1.351
  661   2HD1  LEU  79          2HD1      LEU  79  13.714  -5.556  -1.144
  662   3HD1  LEU  79          3HD1      LEU  79  12.127  -5.215  -1.829
  663   1HD2  LEU  79          1HD2      LEU  79  10.987  -7.347   0.582
  664   2HD2  LEU  79          2HD2      LEU  79  10.163  -6.124  -0.387
  665   3HD2  LEU  79          3HD2      LEU  79  10.294  -5.924   1.360
  666    H    SER  80           H        SER  80  10.216  -5.743   3.620
  667    HA   SER  80           HA       SER  80  10.159  -8.714   3.961
  668   1HB   SER  80          2HB       SER  80  10.382  -8.049   6.197
  669   2HB   SER  80          1HB       SER  80   9.485  -6.554   5.944
  670    HG   SER  80           HG       SER  80   8.589  -9.136   6.429
  671    H    SER  81           H        SER  81   8.377  -9.600   3.009
  672    HA   SER  81           HA       SER  81   5.943  -7.928   2.667
  673   1HB   SER  81          2HB       SER  81   5.893  -8.066   0.353
  674   2HB   SER  81          1HB       SER  81   7.632  -7.969   0.612
  675    HG   SER  81           HG       SER  81   6.019 -10.193   0.000
  676    H    SER  82           H        SER  82   4.058  -9.267   2.022
  677    HA   SER  82           HA       SER  82   4.261 -12.166   2.111
  678   1HB   SER  82          2HB       SER  82   3.058 -10.715   4.490
  679   2HB   SER  82          1HB       SER  82   2.950 -12.450   4.202
  680    HG   SER  82           HG       SER  82   4.762 -12.446   5.291
  681    H    THR  83           H        THR  83   2.054 -13.154   1.978
  682    HA   THR  83           HA       THR  83   0.254 -11.318   0.504
  683    HB   THR  83           HB       THR  83  -0.660 -13.854   0.060
  684    HG1  THR  83           1HG      THR  83   1.465 -14.929  -0.360
  685   1HG2  THR  83          1HG2      THR  83  -0.128 -12.181  -1.653
  686   2HG2  THR  83          2HG2      THR  83   0.624 -13.725  -2.054
  687   3HG2  THR  83          3HG2      THR  83   1.594 -12.425  -1.361
  688    H    ASN  84           H        ASN  84  -1.473 -10.607   1.627
  689    HA   ASN  84           HA       ASN  84  -3.097 -12.462   3.202
  690   1HB   ASN  84          2HB       ASN  84  -2.962 -11.016   5.273
  691   2HB   ASN  84          1HB       ASN  84  -1.486 -11.917   4.919
  692   1HD2  ASN  84          1HD2      ASN  84  -2.835  -8.720   5.252
  693   2HD2  ASN  84          2HD2      ASN  84  -1.420  -7.863   4.877
  694    H    THR  85           H        THR  85  -5.171 -11.460   3.799
  695    HA   THR  85           HA       THR  85  -6.047  -9.521   1.845
  696    HB   THR  85           HB       THR  85  -7.861  -9.809   4.101
  697    HG1  THR  85           1HG      THR  85  -7.983 -11.995   4.177
  698   1HG2  THR  85          1HG2      THR  85  -7.868 -10.745   1.222
  699   2HG2  THR  85          2HG2      THR  85  -8.665  -9.319   1.885
  700   3HG2  THR  85          3HG2      THR  85  -9.243 -10.926   2.308
  701    H    ILE  86           H        ILE  86  -6.845  -7.356   2.345
  702    HA   ILE  86           HA       ILE  86  -5.835  -6.222   4.912
  703    HB   ILE  86           HB       ILE  86  -4.392  -4.790   3.881
  704   1HG1  ILE  86          2HG1      ILE  86  -6.507  -4.512   1.717
  705   2HG1  ILE  86          1HG1      ILE  86  -6.107  -3.346   2.980
  706   1HG2  ILE  86          1HG2      ILE  86  -3.433  -5.635   1.825
  707   2HG2  ILE  86          2HG2      ILE  86  -4.927  -6.483   1.423
  708   3HG2  ILE  86          3HG2      ILE  86  -3.948  -7.017   2.788
  709   1HD1  ILE  86          1HD1      ILE  86  -4.458  -4.138   0.580
  710   2HD1  ILE  86          2HD1      ILE  86  -3.750  -3.310   1.967
  711   3HD1  ILE  86          3HD1      ILE  86  -5.027  -2.531   1.033
  712    H    CYS  87           H        CYS  87  -7.068  -4.445   5.680
  713    HA   CYS  87           HA       CYS  87  -9.704  -4.138   4.326
  714   1HB   CYS  87          2HB       CYS  87  -9.353  -4.765   6.866
  715   2HB   CYS  87          1HB       CYS  87  -9.091  -3.035   7.054
  716    H    ILE  88           H        ILE  88 -10.274  -2.163   3.464
  717    HA   ILE  88           HA       ILE  88  -8.647   0.220   4.168
  718    HB   ILE  88           HB       ILE  88  -7.381  -0.023   2.296
  719   1HG1  ILE  88          2HG1      ILE  88  -9.965   0.387   0.753
  720   2HG1  ILE  88          1HG1      ILE  88  -9.069   1.690   1.533
  721   1HG2  ILE  88          1HG2      ILE  88  -7.893  -1.677   0.526
  722   2HG2  ILE  88          2HG2      ILE  88  -9.464  -1.968   1.266
  723   3HG2  ILE  88          3HG2      ILE  88  -7.992  -2.392   2.132
  724   1HD1  ILE  88          1HD1      ILE  88  -7.796   1.855  -0.310
  725   2HD1  ILE  88          2HD1      ILE  88  -8.584   0.447  -1.022
  726   3HD1  ILE  88          3HD1      ILE  88  -7.172   0.237   0.011
  727    H    THR  89           H        THR  89  -9.708   2.232   3.548
  728    HA   THR  89           HA       THR  89 -12.651   1.857   3.295
  729    HB   THR  89           HB       THR  89 -10.906   3.885   4.562
  730    HG1  THR  89           1HG      THR  89 -13.577   3.512   5.183
  731   1HG2  THR  89          1HG2      THR  89 -13.435   4.626   3.077
  732   2HG2  THR  89          2HG2      THR  89 -11.844   5.377   2.940
  733   3HG2  THR  89          3HG2      THR  89 -12.794   5.588   4.410
  734    H    CYS  90           H        CYS  90 -13.707   2.448   1.491
  735    HA   CYS  90           HA       CYS  90 -12.220   3.989  -0.602
  736   1HB   CYS  90          2HB       CYS  90 -12.517   1.509  -1.069
  737   2HB   CYS  90          1HB       CYS  90 -14.255   1.801  -1.103
  738    H    VAL  91           H        VAL  91 -13.305   5.754  -1.365
  739    HA   VAL  91           HA       VAL  91 -15.790   6.565  -0.147
  740    HB   VAL  91           HB       VAL  91 -15.644   8.507  -1.628
  741   1HG1  VAL  91          1HG1      VAL  91 -14.211   8.643   0.280
  742   2HG1  VAL  91          2HG1      VAL  91 -13.234   9.161  -1.093
  743   3HG1  VAL  91          3HG1      VAL  91 -13.038   7.537  -0.435
  744   1HG2  VAL  91          1HG2      VAL  91 -15.023   7.546  -3.721
  745   2HG2  VAL  91          2HG2      VAL  91 -13.588   6.786  -3.030
  746   3HG2  VAL  91          3HG2      VAL  91 -13.645   8.536  -3.242
  747    H    ASN  92           H        ASN  92 -16.980   7.735  -2.550
  748    HA   ASN  92           HA       ASN  92 -18.977   5.946  -3.178
  749   1HB   ASN  92          2HB       ASN  92 -18.612   8.415  -3.929
  750   2HB   ASN  92          1HB       ASN  92 -17.854   7.692  -5.347
  751   1HD2  ASN  92          1HD2      ASN  92 -19.445   5.490  -5.883
  752   2HD2  ASN  92          2HD2      ASN  92 -21.045   5.969  -6.186
  753    H    GLN  93           H        GLN  93 -15.819   6.127  -4.593
  754    HA   GLN  93           HA       GLN  93 -15.762   3.390  -5.364
  755   1HB   GLN  93          2HB       GLN  93 -15.759   3.846  -7.906
  756   2HB   GLN  93          1HB       GLN  93 -17.325   3.812  -7.096
  757   1HG   GLN  93          2HG       GLN  93 -17.497   6.179  -7.087
  758   2HG   GLN  93          1HG       GLN  93 -15.784   6.386  -7.458
  759   1HE2  GLN  93          1HE2      GLN  93 -17.702   3.937  -9.135
  760   2HE2  GLN  93          2HE2      GLN  93 -17.723   4.724 -10.638
  761    H    LEU  94           H        LEU  94 -13.967   4.994  -4.069
  762    HA   LEU  94           HA       LEU  94 -11.645   4.877  -5.889
  763   1HB   LEU  94          2HB       LEU  94 -12.959   7.335  -5.277
  764   2HB   LEU  94          1HB       LEU  94 -11.436   7.335  -4.396
  765    HG   LEU  94           HG       LEU  94 -10.290   6.669  -6.554
  766   1HD1  LEU  94          1HD1      LEU  94 -11.804   7.477  -8.585
  767   2HD1  LEU  94          2HD1      LEU  94 -13.114   6.975  -7.517
  768   3HD1  LEU  94          3HD1      LEU  94 -11.880   5.815  -8.006
  769   1HD2  LEU  94          1HD2      LEU  94 -10.420   9.022  -5.653
  770   2HD2  LEU  94          2HD2      LEU  94 -11.826   9.282  -6.687
  771   3HD2  LEU  94          3HD2      LEU  94 -10.252   8.938  -7.406
  772    HA   PRO  95           HA       PRO  95 -10.388   3.371  -1.785
  773   1HB   PRO  95          2HB       PRO  95  -8.123   2.084  -2.587
  774   2HB   PRO  95          1HB       PRO  95  -9.745   1.403  -2.823
  775   1HG   PRO  95          2HG       PRO  95  -7.955   2.754  -4.774
  776   2HG   PRO  95          1HG       PRO  95  -9.056   1.386  -5.007
  777   1HD   PRO  95          2HD       PRO  95  -9.625   3.996  -5.753
  778   2HD   PRO  95          1HD       PRO  95 -10.855   2.752  -5.441
  779    H    ILE  96           H        ILE  96  -9.312   4.699  -0.319
  780    HA   ILE  96           HA       ILE  96  -6.710   5.835  -1.151
  781    HB   ILE  96           HB       ILE  96  -7.274   8.038  -1.052
  782   1HG1  ILE  96          2HG1      ILE  96  -8.099   7.968   1.297
  783   2HG1  ILE  96          1HG1      ILE  96  -9.093   8.999   0.275
  784   1HG2  ILE  96          1HG2      ILE  96  -8.628   7.054  -2.835
  785   2HG2  ILE  96          2HG2      ILE  96  -9.459   8.424  -2.111
  786   3HG2  ILE  96          3HG2      ILE  96  -9.947   6.780  -1.702
  787   1HD1  ILE  96          1HD1      ILE  96 -10.406   7.468   1.769
  788   2HD1  ILE  96          2HD1      ILE  96  -9.744   6.107   0.866
  789   3HD1  ILE  96          3HD1      ILE  96 -10.768   7.288   0.054
  790    H    HIS  97           H        HIS  97  -8.573   4.411   1.335
  791    HA   HIS  97           HA       HIS  97  -6.623   5.517   3.340
  792   1HB   HIS  97          2HB       HIS  97  -9.499   5.181   3.426
  793   2HB   HIS  97          1HB       HIS  97  -8.736   4.275   4.733
  794    HD1  HIS  97           1HD      HIS  97  -7.702   5.598   6.644
  795    HD2  HIS  97           2HD      HIS  97  -8.924   8.036   3.487
  796    HE1  HIS  97           1HE      HIS  97  -7.509   7.988   7.465
  797    HE2  HIS  97           2HE      HIS  97  -8.250   9.479   5.551
  798    H    PHE  98           H        PHE  98  -5.289   4.123   4.354
  799    HA   PHE  98           HA       PHE  98  -5.572   1.219   3.735
  800   1HB   PHE  98          2HB       PHE  98  -3.401   2.080   3.136
  801   2HB   PHE  98          1HB       PHE  98  -3.234   2.899   4.687
  802    HD1  PHE  98           1HD      PHE  98  -2.109   1.822   6.440
  803    HD2  PHE  98           2HD      PHE  98  -3.754  -0.518   3.234
  804    HE1  PHE  98           1HE      PHE  98  -1.076  -0.219   7.398
  805    HE2  PHE  98           2HE      PHE  98  -2.720  -2.558   4.193
  806    HZ   PHE  98           HZ       PHE  98  -1.381  -2.408   6.274
  807    H    ALA  99           H        ALA  99  -6.951   0.430   5.324
  808    HA   ALA  99           HA       ALA  99  -7.102   1.329   8.007
  809   1HB   ALA  99          1HB       ALA  99  -7.542  -1.560   7.320
  810   2HB   ALA  99          2HB       ALA  99  -8.615  -0.335   6.644
  811   3HB   ALA  99          3HB       ALA  99  -8.476  -0.520   8.393
  812    H    GLY 100           H        GLY 100  -5.772  -1.884   7.174
  813   1HA   GLY 100          2HA       GLY 100  -3.215  -1.389   8.424
  814   2HA   GLY 100          1HA       GLY 100  -4.294  -2.253   9.521
  815    H    VAL 101           H        VAL 101  -2.891  -4.129   9.383
  816    HA   VAL 101           HA       VAL 101  -2.696  -5.457   6.740
  817    HB   VAL 101           HB       VAL 101  -1.641  -6.485   9.381
  818   1HG1  VAL 101          1HG1      VAL 101  -0.841  -6.890   6.482
  819   2HG1  VAL 101          2HG1      VAL 101  -1.636  -8.074   7.520
  820   3HG1  VAL 101          3HG1      VAL 101   0.017  -7.567   7.867
  821   1HG2  VAL 101          1HG2      VAL 101   0.515  -5.368   8.676
  822   2HG2  VAL 101          2HG2      VAL 101  -0.758  -4.243   9.153
  823   3HG2  VAL 101          3HG2      VAL 101  -0.404  -4.504   7.444
  824    H    GLY 102           H        GLY 102  -3.369  -7.736   6.542
  825   1HA   GLY 102          2HA       GLY 102  -4.974  -9.435   6.755
  826   2HA   GLY 102          1HA       GLY 102  -4.941  -9.103   8.484
  827    H    SER 103           H        SER 103  -7.357  -9.648   8.031
  828    HA   SER 103           HA       SER 103  -8.928  -7.546   6.757
  829   1HB   SER 103          2HB       SER 103 -10.787  -8.899   7.181
  830   2HB   SER 103          1HB       SER 103  -9.493 -10.090   7.073
  831    HG   SER 103           HG       SER 103 -10.700 -10.448   8.938
  832    H    CYS 104           H        CYS 104 -10.479  -6.195   7.909
  833    HA   CYS 104           HA       CYS 104  -9.353  -5.103  10.370
  834   1HB   CYS 104          2HB       CYS 104 -11.599  -3.705  10.156
  835   2HB   CYS 104          1HB       CYS 104 -10.257  -3.409   9.050
  836    HA   PRO 105           HA       PRO 105 -11.803  -7.426  13.230
  837   1HB   PRO 105          2HB       PRO 105 -12.168  -5.591  15.237
  838   2HB   PRO 105          1HB       PRO 105 -10.627  -6.419  14.940
  839   1HG   PRO 105          2HG       PRO 105 -11.483  -3.674  14.152
  840   2HG   PRO 105          1HG       PRO 105  -9.916  -4.236  14.762
  841   1HD   PRO 105          2HD       PRO 105 -10.369  -3.752  12.113
  842   2HD   PRO 105          1HD       PRO 105  -9.219  -4.984  12.680
  Start of MODEL   16
    1    HN   PCA   1           H        PCA   1  -6.732   9.013   1.257
    2    HA   PCA   1           HA       PCA   1  -8.289  11.019   1.915
    3   1HB   PCA   1          1HB       PCA   1  -7.110  12.316   3.368
    4   2HB   PCA   1          2HB       PCA   1  -6.308  12.973   1.962
    5   1HG   PCA   1          1HG       PCA   1  -5.170  11.535   3.893
    6   2HG   PCA   1          2HG       PCA   1  -4.566  11.691   2.228
    7    H    ASP   2           H        ASP   2  -6.444   9.785  -0.402
    8    HA   ASP   2           HA       ASP   2  -7.698  11.248  -2.494
    9   1HB   ASP   2          2HB       ASP   2  -5.154  12.357  -1.465
   10   2HB   ASP   2          1HB       ASP   2  -5.183  12.117  -3.212
   11    H    TRP   3           H        TRP   3  -7.857   9.570  -3.885
   12    HA   TRP   3           HA       TRP   3  -6.425   7.205  -3.894
   13   1HB   TRP   3          2HB       TRP   3  -8.321   7.261  -5.269
   14   2HB   TRP   3          1HB       TRP   3  -7.797   8.722  -6.097
   15    HD1  TRP   3           HD       TRP   3  -7.386   8.104  -8.501
   16    HE1  TRP   3           1HE      TRP   3  -6.118   6.246  -9.753
   17    HE3  TRP   3           3HE      TRP   3  -5.993   5.156  -4.555
   18    HZ2  TRP   3           2HZ      TRP   3  -4.711   3.834  -9.170
   19    HZ3  TRP   3           3HZ      TRP   3  -4.695   3.087  -4.942
   20    HH2  TRP   3           HH       TRP   3  -4.051   2.422  -7.242
   21    H    GLU   4           H        GLU   4  -5.395  10.295  -5.176
   22    HA   GLU   4           HA       GLU   4  -3.224   9.334  -6.791
   23   1HB   GLU   4          2HB       GLU   4  -4.094  11.680  -6.853
   24   2HB   GLU   4          1HB       GLU   4  -3.395  11.949  -5.256
   25   1HG   GLU   4          2HG       GLU   4  -1.166  11.601  -6.079
   26   2HG   GLU   4          1HG       GLU   4  -1.766  11.013  -7.630
   27    H    THR   5           H        THR   5  -2.691  11.133  -3.752
   28    HA   THR   5           HA       THR   5  -0.168  10.034  -3.208
   29    HB   THR   5           HB       THR   5  -0.986  11.900  -1.906
   30    HG1  THR   5           1HG      THR   5   0.024  11.230  -0.198
   31   1HG2  THR   5          1HG2      THR   5  -2.894  11.847  -0.527
   32   2HG2  THR   5          2HG2      THR   5  -2.935  10.085  -0.501
   33   3HG2  THR   5          3HG2      THR   5  -3.405  10.955  -1.959
   34    H    PHE   6           H        PHE   6  -3.342   8.883  -2.009
   35    HA   PHE   6           HA       PHE   6  -2.494   6.653  -0.556
   36   1HB   PHE   6          2HB       PHE   6  -4.897   7.523  -1.018
   37   2HB   PHE   6          1HB       PHE   6  -4.841   6.494  -2.447
   38    HD1  PHE   6           1HD      PHE   6  -5.256   4.178  -2.279
   39    HD2  PHE   6           2HD      PHE   6  -4.369   6.448   1.258
   40    HE1  PHE   6           1HE      PHE   6  -5.802   2.206  -0.879
   41    HE2  PHE   6           2HE      PHE   6  -4.912   4.477   2.656
   42    HZ   PHE   6           HZ       PHE   6  -5.634   2.355   1.588
   43    H    GLN   7           H        GLN   7  -2.396   7.201  -3.990
   44    HA   GLN   7           HA       GLN   7  -1.841   4.353  -4.557
   45   1HB   GLN   7          2HB       GLN   7  -3.201   5.563  -6.181
   46   2HB   GLN   7          1HB       GLN   7  -1.951   6.786  -6.369
   47   1HG   GLN   7          2HG       GLN   7  -1.318   3.888  -6.876
   48   2HG   GLN   7          1HG       GLN   7  -2.105   4.854  -8.122
   49   1HE2  GLN   7          1HE2      GLN   7  -0.325   7.121  -6.533
   50   2HE2  GLN   7          2HE2      GLN   7   1.126   7.026  -7.407
   51    H    LYS   8           H        LYS   8  -0.164   7.269  -3.838
   52    HA   LYS   8           HA       LYS   8   2.350   6.357  -5.086
   53   1HB   LYS   8          2HB       LYS   8   1.865   8.760  -3.308
   54   2HB   LYS   8          1HB       LYS   8   3.247   8.486  -4.367
   55   1HG   LYS   8          2HG       LYS   8   0.497   8.437  -5.571
   56   2HG   LYS   8          1HG       LYS   8   1.203   9.997  -5.161
   57   1HD   LYS   8          2HD       LYS   8   2.862   8.012  -6.690
   58   2HD   LYS   8          1HD       LYS   8   1.622   8.928  -7.546
   59   1HE   LYS   8          2HE       LYS   8   2.615  11.038  -6.709
   60   2HE   LYS   8          1HE       LYS   8   3.874  10.112  -5.892
   61   1HZ   LYS   8          1HZ       LYS   8   5.004  10.012  -7.773
   62   2HZ   LYS   8          2HZ       LYS   8   3.828  10.969  -8.538
   63   3HZ   LYS   8          3HZ       LYS   8   3.700   9.275  -8.569
   64    H    LYS   9           H        LYS   9   1.207   7.051  -1.748
   65    HA   LYS   9           HA       LYS   9   3.679   5.848  -0.685
   66   1HB   LYS   9          2HB       LYS   9   2.525   6.423   1.553
   67   2HB   LYS   9          1HB       LYS   9   3.038   7.759   0.524
   68   1HG   LYS   9          2HG       LYS   9   0.772   7.995  -0.359
   69   2HG   LYS   9          1HG       LYS   9   0.237   6.599   0.578
   70   1HD   LYS   9          2HD       LYS   9   1.058   7.886   2.649
   71   2HD   LYS   9          1HD       LYS   9   1.131   9.300   1.597
   72   1HE   LYS   9          2HE       LYS   9  -1.257   7.768   2.553
   73   2HE   LYS   9          1HE       LYS   9  -1.038   9.510   2.387
   74   1HZ   LYS   9          1HZ       LYS   9  -1.313   9.386   0.075
   75   2HZ   LYS   9          2HZ       LYS   9  -2.543   8.404   0.718
   76   3HZ   LYS   9          3HZ       LYS   9  -1.149   7.698   0.050
   77    H    HIS  10           H        HIS  10   0.170   5.087  -0.584
   78    HA   HIS  10           HA       HIS  10   0.724   2.669   0.983
   79   1HB   HIS  10          2HB       HIS  10  -1.761   3.902  -0.178
   80   2HB   HIS  10          1HB       HIS  10  -1.790   2.254   0.446
   81    HD1  HIS  10           1HD      HIS  10  -0.651   2.085   2.998
   82    HD2  HIS  10           2HD      HIS  10  -2.204   5.769   1.804
   83    HE1  HIS  10           1HE      HIS  10  -1.018   3.431   5.115
   84    HE2  HIS  10           2HE      HIS  10  -1.963   5.673   4.399
   85    H    LEU  11           H        LEU  11   0.995   3.353  -2.324
   86    HA   LEU  11           HA       LEU  11   0.946   0.426  -2.872
   87   1HB   LEU  11          2HB       LEU  11  -0.617   2.529  -4.357
   88   2HB   LEU  11          1HB       LEU  11  -0.149   1.019  -5.132
   89    HG   LEU  11           HG       LEU  11  -1.168   0.142  -2.724
   90   1HD1  LEU  11          1HD1      LEU  11  -3.347   1.286  -2.464
   91   2HD1  LEU  11          2HD1      LEU  11  -2.857   2.463  -3.682
   92   3HD1  LEU  11          3HD1      LEU  11  -1.994   2.372  -2.148
   93   1HD2  LEU  11          1HD2      LEU  11  -2.539   0.527  -5.397
   94   2HD2  LEU  11          2HD2      LEU  11  -3.193  -0.469  -4.097
   95   3HD2  LEU  11          3HD2      LEU  11  -1.657  -0.899  -4.851
   96    H    THR  12           H        THR  12   2.146  -0.213  -4.720
   97    HA   THR  12           HA       THR  12   3.947   1.868  -5.877
   98    HB   THR  12           HB       THR  12   5.281   0.934  -4.097
   99    HG1  THR  12           1HG      THR  12   6.437  -0.651  -5.900
  100   1HG2  THR  12          1HG2      THR  12   4.821  -1.134  -3.319
  101   2HG2  THR  12          2HG2      THR  12   5.524  -1.806  -4.787
  102   3HG2  THR  12          3HG2      THR  12   3.798  -1.467  -4.715
  103    H    ASP  13           H        ASP  13   5.541   0.070  -7.371
  104    HA   ASP  13           HA       ASP  13   3.475  -1.185  -9.147
  105   1HB   ASP  13          2HB       ASP  13   5.030  -0.644 -11.027
  106   2HB   ASP  13          1HB       ASP  13   4.416   0.791 -10.205
  107    H    THR  14           H        THR  14   5.916  -2.002  -7.046
  108    HA   THR  14           HA       THR  14   6.403  -4.526  -8.566
  109    HB   THR  14           HB       THR  14   8.340  -3.007  -8.939
  110    HG1  THR  14           1HG      THR  14   9.644  -4.702  -7.375
  111   1HG2  THR  14          1HG2      THR  14   8.053  -1.835  -6.713
  112   2HG2  THR  14          2HG2      THR  14   9.712  -2.290  -7.104
  113   3HG2  THR  14          3HG2      THR  14   8.780  -3.253  -5.958
  114    H    LYS  15           H        LYS  15   6.923  -6.330  -7.216
  115    HA   LYS  15           HA       LYS  15   5.691  -6.222  -4.585
  116   1HB   LYS  15          2HB       LYS  15   6.357  -8.611  -4.457
  117   2HB   LYS  15          1HB       LYS  15   5.534  -8.247  -5.974
  118   1HG   LYS  15          2HG       LYS  15   7.867  -7.867  -6.970
  119   2HG   LYS  15          1HG       LYS  15   8.496  -8.631  -5.510
  120   1HD   LYS  15          2HD       LYS  15   6.452  -9.899  -7.357
  121   2HD   LYS  15          1HD       LYS  15   8.181 -10.245  -7.398
  122   1HE   LYS  15          2HE       LYS  15   7.949 -10.812  -4.895
  123   2HE   LYS  15          1HE       LYS  15   6.211 -10.837  -5.188
  124   1HZ   LYS  15          1HZ       LYS  15   8.231 -12.733  -5.967
  125   2HZ   LYS  15          2HZ       LYS  15   7.176 -12.309  -7.229
  126   3HZ   LYS  15          3HZ       LYS  15   6.560 -12.945  -5.780
  127    H    LYS  16           H        LYS  16   8.868  -5.770  -5.830
  128    HA   LYS  16           HA       LYS  16   9.985  -5.860  -3.048
  129   1HB   LYS  16          2HB       LYS  16  12.206  -6.235  -4.199
  130   2HB   LYS  16          1HB       LYS  16  11.067  -7.570  -4.363
  131   1HG   LYS  16          2HG       LYS  16  10.351  -6.424  -6.578
  132   2HG   LYS  16          1HG       LYS  16  11.851  -5.510  -6.426
  133   1HD   LYS  16          2HD       LYS  16  13.026  -7.763  -6.139
  134   2HD   LYS  16          1HD       LYS  16  11.517  -8.502  -6.677
  135   1HE   LYS  16          2HE       LYS  16  13.370  -6.686  -8.208
  136   2HE   LYS  16          1HE       LYS  16  12.739  -8.265  -8.676
  137   1HZ   LYS  16          1HZ       LYS  16  11.007  -5.895  -8.283
  138   2HZ   LYS  16          2HZ       LYS  16  10.606  -7.368  -9.027
  139   3HZ   LYS  16          3HZ       LYS  16  11.684  -6.295  -9.785
  140    H    VAL  17           H        VAL  17   8.926  -3.567  -3.265
  141    HA   VAL  17           HA       VAL  17   9.937  -1.534  -4.911
  142    HB   VAL  17           HB       VAL  17   9.366   0.037  -3.103
  143   1HG1  VAL  17          1HG1      VAL  17   7.004  -0.893  -2.673
  144   2HG1  VAL  17          2HG1      VAL  17   7.512  -2.270  -3.652
  145   3HG1  VAL  17          3HG1      VAL  17   7.495  -0.652  -4.349
  146   1HG2  VAL  17          1HG2      VAL  17   8.409  -1.121  -0.977
  147   2HG2  VAL  17          2HG2      VAL  17  10.160  -0.978  -1.129
  148   3HG2  VAL  17          3HG2      VAL  17   9.366  -2.511  -1.488
  149    H    LYS  18           H        LYS  18  11.386   0.274  -4.141
  150    HA   LYS  18           HA       LYS  18  13.883  -0.920  -3.051
  151   1HB   LYS  18          2HB       LYS  18  14.861   1.313  -3.905
  152   2HB   LYS  18          1HB       LYS  18  14.337   0.154  -5.126
  153   1HG   LYS  18          2HG       LYS  18  12.190   1.326  -5.351
  154   2HG   LYS  18          1HG       LYS  18  12.664   2.462  -4.090
  155   1HD   LYS  18          2HD       LYS  18  13.309   3.712  -5.917
  156   2HD   LYS  18          1HD       LYS  18  14.785   2.769  -5.721
  157   1HE   LYS  18          2HE       LYS  18  12.479   2.017  -7.545
  158   2HE   LYS  18          1HE       LYS  18  13.980   2.775  -8.075
  159   1HZ   LYS  18          1HZ       LYS  18  14.538   0.616  -8.373
  160   2HZ   LYS  18          2HZ       LYS  18  13.494   0.046  -7.159
  161   3HZ   LYS  18          3HZ       LYS  18  14.983   0.749  -6.742
  162    H    CYS  19           H        CYS  19  12.522  -0.789  -0.976
  163    HA   CYS  19           HA       CYS  19  11.581   1.315   0.404
  164   1HB   CYS  19          2HB       CYS  19  13.539  -0.769   1.367
  165   2HB   CYS  19          1HB       CYS  19  12.789   0.392   2.463
  166    H    ASP  20           H        ASP  20  14.989   0.922  -0.433
  167    HA   ASP  20           HA       ASP  20  16.182   2.828   1.246
  168   1HB   ASP  20          2HB       ASP  20  17.514   1.450  -0.265
  169   2HB   ASP  20          1HB       ASP  20  16.782   2.232  -1.667
  170    H    VAL  21           H        VAL  21  14.409   3.303  -1.771
  171    HA   VAL  21           HA       VAL  21  14.563   6.254  -1.365
  172    HB   VAL  21           HB       VAL  21  13.322   5.083  -3.810
  173   1HG1  VAL  21          1HG1      VAL  21  14.148   7.024  -4.833
  174   2HG1  VAL  21          2HG1      VAL  21  15.467   7.192  -3.675
  175   3HG1  VAL  21          3HG1      VAL  21  13.818   7.585  -3.196
  176   1HG2  VAL  21          1HG2      VAL  21  15.215   3.589  -3.569
  177   2HG2  VAL  21          2HG2      VAL  21  16.286   4.938  -3.192
  178   3HG2  VAL  21          3HG2      VAL  21  15.613   4.774  -4.814
  179    H    GLU  22           H        GLU  22  12.367   3.499  -1.640
  180    HA   GLU  22           HA       GLU  22   9.903   4.913  -1.773
  181   1HB   GLU  22          2HB       GLU  22  10.681   2.231  -1.491
  182   2HB   GLU  22          1HB       GLU  22   9.745   2.571  -0.036
  183   1HG   GLU  22          2HG       GLU  22   8.188   1.824  -1.708
  184   2HG   GLU  22          1HG       GLU  22   7.962   3.566  -1.542
  185    H    MET  23           H        MET  23  12.299   5.004   0.534
  186    HA   MET  23           HA       MET  23  10.411   6.090   2.593
  187   1HB   MET  23          2HB       MET  23  12.947   4.484   3.036
  188   2HB   MET  23          1HB       MET  23  12.018   5.269   4.313
  189   1HG   MET  23          2HG       MET  23  10.002   3.925   3.396
  190   2HG   MET  23          1HG       MET  23  11.211   2.953   2.558
  191   1HE   MET  23          1HE       MET  23  10.237   3.407   6.924
  192   2HE   MET  23          2HE       MET  23   9.993   4.538   5.598
  193   3HE   MET  23          3HE       MET  23  11.529   4.518   6.458
  194    H    ALA  24           H        ALA  24  13.775   6.130   1.376
  195    HA   ALA  24           HA       ALA  24  14.459   8.559   2.781
  196   1HB   ALA  24          1HB       ALA  24  16.107   6.868   1.877
  197   2HB   ALA  24          2HB       ALA  24  16.479   8.543   1.464
  198   3HB   ALA  24          3HB       ALA  24  15.748   7.480   0.262
  199    H    LYS  25           H        LYS  25  12.213   8.139   0.455
  200    HA   LYS  25           HA       LYS  25  12.714  10.088  -1.528
  201   1HB   LYS  25          2HB       LYS  25  10.270   8.891  -0.300
  202   2HB   LYS  25          1HB       LYS  25  10.042  10.360  -1.241
  203   1HG   LYS  25          2HG       LYS  25  10.517   9.332  -3.227
  204   2HG   LYS  25          1HG       LYS  25  11.784   8.334  -2.524
  205   1HD   LYS  25          2HD       LYS  25  10.187   6.724  -2.997
  206   2HD   LYS  25          1HD       LYS  25   9.756   7.120  -1.335
  207   1HE   LYS  25          2HE       LYS  25   8.371   7.883  -3.888
  208   2HE   LYS  25          1HE       LYS  25   7.681   7.271  -2.385
  209   1HZ   LYS  25          1HZ       LYS  25   7.307   9.687  -2.844
  210   2HZ   LYS  25          2HZ       LYS  25   8.971   9.929  -2.603
  211   3HZ   LYS  25          3HZ       LYS  25   8.004   9.341  -1.336
  212    H    ALA  26           H        ALA  26  10.722  12.034  -1.318
  213    HA   ALA  26           HA       ALA  26  11.815  13.729   0.879
  214   1HB   ALA  26          1HB       ALA  26  10.411  14.389  -1.720
  215   2HB   ALA  26          2HB       ALA  26  12.078  14.754  -1.275
  216   3HB   ALA  26          3HB       ALA  26  10.749  15.595  -0.477
  217    H    LEU  27           H        LEU  27   9.022  11.966  -0.028
  218    HA   LEU  27           HA       LEU  27   7.243  13.686   1.629
  219   1HB   LEU  27          2HB       LEU  27   5.417  12.574   0.643
  220   2HB   LEU  27          1HB       LEU  27   6.585  12.693  -0.668
  221    HG   LEU  27           HG       LEU  27   7.396  10.341   0.209
  222   1HD1  LEU  27          1HD1      LEU  27   4.919   9.272   0.825
  223   2HD1  LEU  27          2HD1      LEU  27   4.897  10.792   1.715
  224   3HD1  LEU  27          3HD1      LEU  27   6.185   9.627   1.995
  225   1HD2  LEU  27          1HD2      LEU  27   6.329  10.865  -2.004
  226   2HD2  LEU  27          2HD2      LEU  27   4.753  10.599  -1.260
  227   3HD2  LEU  27          3HD2      LEU  27   5.904   9.270  -1.386
  228    H    PHE  28           H        PHE  28   9.382  11.234   2.127
  229    HA   PHE  28           HA       PHE  28   7.784  10.104   4.403
  230   1HB   PHE  28          2HB       PHE  28   9.825   8.881   2.562
  231   2HB   PHE  28          1HB       PHE  28   9.628   8.236   4.190
  232    HD1  PHE  28           1HD      PHE  28   8.571   7.860   0.890
  233    HD2  PHE  28           2HD      PHE  28   7.009   7.982   4.890
  234    HE1  PHE  28           1HE      PHE  28   6.575   6.594   0.149
  235    HE2  PHE  28           2HE      PHE  28   5.012   6.715   4.148
  236    HZ   PHE  28           HZ       PHE  28   4.795   6.020   1.777
  237    H    ASP  29           H        ASP  29  10.955  11.288   3.344
  238    HA   ASP  29           HA       ASP  29  12.622  12.376   4.592
  239   1HB   ASP  29          2HB       ASP  29  11.073  12.027   7.141
  240   2HB   ASP  29          1HB       ASP  29  12.072  13.380   6.616
  241    H    CYS  30           H        CYS  30  12.795   9.626   4.093
  242    HA   CYS  30           HA       CYS  30  13.776   7.634   4.890
  243   1HB   CYS  30          2HB       CYS  30  15.702   9.180   4.820
  244   2HB   CYS  30          1HB       CYS  30  15.348   9.695   6.468
  245    H    LYS  31           H        LYS  31  11.506   7.533   6.108
  246    HA   LYS  31           HA       LYS  31  11.463   7.958   8.947
  247   1HB   LYS  31          2HB       LYS  31   9.837   5.794   7.628
  248   2HB   LYS  31          1HB       LYS  31   9.382   6.880   8.937
  249   1HG   LYS  31          2HG       LYS  31  10.038   8.358   6.493
  250   2HG   LYS  31          1HG       LYS  31   8.744   7.197   6.226
  251   1HD   LYS  31          2HD       LYS  31   8.800   9.241   8.463
  252   2HD   LYS  31          1HD       LYS  31   7.898   9.416   6.959
  253   1HE   LYS  31          2HE       LYS  31   6.185   8.316   7.942
  254   2HE   LYS  31          1HE       LYS  31   7.194   6.870   7.963
  255   1HZ   LYS  31          1HZ       LYS  31   6.972   7.041  10.167
  256   2HZ   LYS  31          2HZ       LYS  31   6.503   8.672  10.109
  257   3HZ   LYS  31          3HZ       LYS  31   8.149   8.255  10.055
  258    H    LYS  32           H        LYS  32  10.417   5.109   9.381
  259    HA   LYS  32           HA       LYS  32  13.037   3.671   9.508
  260   1HB   LYS  32          2HB       LYS  32  12.423   2.889  11.790
  261   2HB   LYS  32          1HB       LYS  32  12.638   4.637  11.723
  262   1HG   LYS  32          2HG       LYS  32  10.225   4.971  11.576
  263   2HG   LYS  32          1HG       LYS  32   9.958   3.229  11.522
  264   1HD   LYS  32          2HD       LYS  32  11.504   4.378  13.825
  265   2HD   LYS  32          1HD       LYS  32   9.749   4.544  13.814
  266   1HE   LYS  32          2HE       LYS  32  10.970   1.856  13.248
  267   2HE   LYS  32          1HE       LYS  32  10.846   2.417  14.914
  268   1HZ   LYS  32          1HZ       LYS  32   8.465   2.765  13.296
  269   2HZ   LYS  32          2HZ       LYS  32   8.624   2.237  14.904
  270   3HZ   LYS  32          3HZ       LYS  32   8.887   1.154  13.622
  271    H    THR  33           H        THR  33   9.534   3.576   9.312
  272    HA   THR  33           HA       THR  33   9.726   0.766   8.332
  273    HB   THR  33           HB       THR  33   7.550   1.750  10.201
  274    HG1  THR  33           1HG      THR  33   9.944   0.330  10.643
  275   1HG2  THR  33          1HG2      THR  33   7.122  -0.734  10.354
  276   2HG2  THR  33          2HG2      THR  33   8.272  -0.947   9.033
  277   3HG2  THR  33          3HG2      THR  33   6.787  -0.031   8.771
  278    H    ASN  34           H        ASN  34   8.074   0.254   6.764
  279    HA   ASN  34           HA       ASN  34   6.130   2.329   6.024
  280   1HB   ASN  34          2HB       ASN  34   8.415   2.920   4.967
  281   2HB   ASN  34          1HB       ASN  34   8.150   1.516   3.936
  282   1HD2  ASN  34          1HD2      ASN  34   8.059   4.577   3.395
  283   2HD2  ASN  34          2HD2      ASN  34   6.581   4.791   2.588
  284    H    THR  35           H        THR  35   4.559   1.533   4.517
  285    HA   THR  35           HA       THR  35   4.813  -1.326   3.721
  286    HB   THR  35           HB       THR  35   2.465  -0.127   5.222
  287    HG1  THR  35           1HG      THR  35   3.241  -2.245   6.404
  288   1HG2  THR  35          1HG2      THR  35   2.856  -2.762   3.803
  289   2HG2  THR  35          2HG2      THR  35   1.536  -1.608   3.617
  290   3HG2  THR  35          3HG2      THR  35   1.669  -2.565   5.092
  291    H    PHE  36           H        PHE  36   3.498  -1.883   1.903
  292    HA   PHE  36           HA       PHE  36   1.821   0.207   0.666
  293   1HB   PHE  36          2HB       PHE  36   3.837  -0.884  -1.232
  294   2HB   PHE  36          1HB       PHE  36   3.101   0.709  -1.177
  295    HD1  PHE  36           1HD      PHE  36   5.386  -1.402   0.934
  296    HD2  PHE  36           2HD      PHE  36   4.504   2.484  -0.657
  297    HE1  PHE  36           1HE      PHE  36   7.450  -0.512   1.970
  298    HE2  PHE  36           2HE      PHE  36   6.567   3.379   0.383
  299    HZ   PHE  36           HZ       PHE  36   8.044   1.878   1.689
  300    H    ILE  37           H        ILE  37   1.051  -0.795  -1.603
  301    HA   ILE  37           HA       ILE  37   0.630  -3.727  -1.172
  302    HB   ILE  37           HB       ILE  37  -1.353  -1.878  -2.494
  303   1HG1  ILE  37          2HG1      ILE  37  -1.729  -2.901   0.309
  304   2HG1  ILE  37          1HG1      ILE  37  -0.754  -1.455   0.062
  305   1HG2  ILE  37          1HG2      ILE  37  -1.395  -4.715  -1.479
  306   2HG2  ILE  37          2HG2      ILE  37  -1.779  -4.121  -3.092
  307   3HG2  ILE  37          3HG2      ILE  37  -2.882  -3.808  -1.754
  308   1HD1  ILE  37          1HD1      ILE  37  -3.489  -1.717  -1.178
  309   2HD1  ILE  37          2HD1      ILE  37  -2.552  -0.252  -0.879
  310   3HD1  ILE  37          3HD1      ILE  37  -3.280  -1.123   0.470
  311    H    TYR  38           H        TYR  38   1.076  -5.033  -2.895
  312    HA   TYR  38           HA       TYR  38   2.154  -3.709  -5.317
  313   1HB   TYR  38          2HB       TYR  38   3.458  -5.556  -4.441
  314   2HB   TYR  38          1HB       TYR  38   2.049  -6.612  -4.454
  315    HD1  TYR  38           1HD      TYR  38   3.721  -4.289  -6.894
  316    HD2  TYR  38           2HD      TYR  38   2.032  -8.174  -6.174
  317    HE1  TYR  38           1HE      TYR  38   4.212  -4.938  -9.236
  318    HE2  TYR  38           2HE      TYR  38   2.525  -8.821  -8.516
  319    HH   TYR  38           HH       TYR  38   4.528  -6.910 -10.567
  320    H    ALA  39           H        ALA  39   0.346  -2.948  -6.449
  321    HA   ALA  39           HA       ALA  39  -1.270  -5.033  -7.779
  322   1HB   ALA  39          1HB       ALA  39  -2.471  -2.820  -6.089
  323   2HB   ALA  39          2HB       ALA  39  -2.673  -4.558  -5.867
  324   3HB   ALA  39          3HB       ALA  39  -3.391  -3.759  -7.265
  325    H    LEU  40           H        LEU  40  -2.141  -4.280  -9.783
  326    HA   LEU  40           HA       LEU  40  -0.780  -1.877 -10.800
  327   1HB   LEU  40          2HB       LEU  40  -0.965  -2.817 -12.880
  328   2HB   LEU  40          1HB       LEU  40  -1.168  -4.283 -11.930
  329    HG   LEU  40           HG       LEU  40  -3.741  -3.532 -12.008
  330   1HD1  LEU  40          1HD1      LEU  40  -2.723  -2.575 -14.684
  331   2HD1  LEU  40          2HD1      LEU  40  -2.974  -1.458 -13.348
  332   3HD1  LEU  40          3HD1      LEU  40  -4.330  -2.376 -13.994
  333   1HD2  LEU  40          1HD2      LEU  40  -2.236  -4.887 -14.265
  334   2HD2  LEU  40          2HD2      LEU  40  -3.978  -4.988 -14.013
  335   3HD2  LEU  40          3HD2      LEU  40  -2.873  -5.673 -12.821
  336    HA   PRO  41           HA       PRO  41  -3.899   1.176 -10.322
  337   1HB   PRO  41          2HB       PRO  41  -3.899   1.416 -13.298
  338   2HB   PRO  41          1HB       PRO  41  -3.709   2.673 -12.065
  339   1HG   PRO  41          2HG       PRO  41  -1.654   1.574 -13.512
  340   2HG   PRO  41          1HG       PRO  41  -1.474   2.388 -11.951
  341   1HD   PRO  41          2HD       PRO  41  -1.082  -0.421 -12.561
  342   2HD   PRO  41          1HD       PRO  41  -0.804   0.422 -11.023
  343    H    GLY  42           H        GLY  42  -4.534  -0.667 -13.328
  344   1HA   GLY  42          2HA       GLY  42  -7.331  -0.381 -13.349
  345   2HA   GLY  42          1HA       GLY  42  -6.491  -1.761 -14.049
  346    H    ARG  43           H        ARG  43  -5.482  -3.093 -11.922
  347    HA   ARG  43           HA       ARG  43  -7.731  -4.449 -10.837
  348   1HB   ARG  43          2HB       ARG  43  -5.404  -5.385 -11.074
  349   2HB   ARG  43          1HB       ARG  43  -4.933  -4.413  -9.680
  350   1HG   ARG  43          2HG       ARG  43  -6.614  -5.539  -8.295
  351   2HG   ARG  43          1HG       ARG  43  -7.156  -6.477  -9.686
  352   1HD   ARG  43          2HD       ARG  43  -4.923  -7.505  -9.873
  353   2HD   ARG  43          1HD       ARG  43  -4.371  -6.562  -8.488
  354    HE   ARG  43           HE       ARG  43  -6.576  -7.902  -7.506
  355   1HH1  ARG  43          1HH2      ARG  43  -3.707  -8.769  -9.209
  356   2HH1  ARG  43          2HH2      ARG  43  -3.602 -10.344  -8.500
  357   1HH2  ARG  43          1HH1      ARG  43  -6.456  -9.956  -6.570
  358   2HH2  ARG  43          2HH1      ARG  43  -5.159 -11.017  -7.006
  359    H    VAL  44           H        VAL  44  -5.857  -1.722  -9.608
  360    HA   VAL  44           HA       VAL  44  -6.975  -1.901  -6.923
  361    HB   VAL  44           HB       VAL  44  -5.618   0.435  -8.304
  362   1HG1  VAL  44          1HG1      VAL  44  -6.449  -0.140  -5.462
  363   2HG1  VAL  44          2HG1      VAL  44  -6.709   1.323  -6.412
  364   3HG1  VAL  44          3HG1      VAL  44  -5.099   0.941  -5.803
  365   1HG2  VAL  44          1HG2      VAL  44  -4.416  -1.537  -6.349
  366   2HG2  VAL  44          2HG2      VAL  44  -3.574  -0.361  -7.359
  367   3HG2  VAL  44          3HG2      VAL  44  -4.329  -1.775  -8.094
  368    H    LYS  45           H        LYS  45  -7.458   0.470  -9.575
  369    HA   LYS  45           HA       LYS  45  -9.726   1.709  -8.320
  370   1HB   LYS  45          2HB       LYS  45 -10.092   2.792 -10.460
  371   2HB   LYS  45          1HB       LYS  45  -8.354   2.723 -10.172
  372   1HG   LYS  45          2HG       LYS  45  -8.418   0.499 -11.489
  373   2HG   LYS  45          1HG       LYS  45 -10.013   1.021 -12.031
  374   1HD   LYS  45          2HD       LYS  45  -7.409   2.531 -12.400
  375   2HD   LYS  45          1HD       LYS  45  -8.341   1.727 -13.663
  376   1HE   LYS  45          2HE       LYS  45  -8.989   3.992 -13.846
  377   2HE   LYS  45          1HE       LYS  45 -10.294   3.258 -12.915
  378   1HZ   LYS  45          1HZ       LYS  45  -9.776   4.452 -11.123
  379   2HZ   LYS  45          2HZ       LYS  45  -8.858   5.427 -12.168
  380   3HZ   LYS  45          3HZ       LYS  45  -8.110   4.178 -11.293
  381    H    ALA  46           H        ALA  46  -9.318  -1.221 -10.070
  382    HA   ALA  46           HA       ALA  46 -12.078  -1.497 -10.954
  383   1HB   ALA  46          1HB       ALA  46 -10.382  -2.699 -12.176
  384   2HB   ALA  46          2HB       ALA  46 -11.355  -3.903 -11.333
  385   3HB   ALA  46          3HB       ALA  46  -9.775  -3.449 -10.701
  386    H    LEU  47           H        LEU  47 -10.170  -2.597  -8.174
  387    HA   LEU  47           HA       LEU  47 -12.161  -4.337  -7.073
  388   1HB   LEU  47          2HB       LEU  47  -9.838  -2.826  -5.870
  389   2HB   LEU  47          1HB       LEU  47 -10.895  -3.833  -4.882
  390    HG   LEU  47           HG       LEU  47  -9.712  -4.977  -7.401
  391   1HD1  LEU  47          1HD1      LEU  47  -7.815  -3.965  -6.173
  392   2HD1  LEU  47          2HD1      LEU  47  -7.744  -5.726  -6.130
  393   3HD1  LEU  47          3HD1      LEU  47  -8.304  -4.831  -4.717
  394   1HD2  LEU  47          1HD2      LEU  47  -9.806  -7.053  -6.004
  395   2HD2  LEU  47          2HD2      LEU  47 -11.385  -6.296  -6.199
  396   3HD2  LEU  47          3HD2      LEU  47 -10.495  -6.101  -4.689
  397    H    CYS  48           H        CYS  48 -12.412  -1.094  -7.641
  398    HA   CYS  48           HA       CYS  48 -14.410  -0.788  -5.435
  399   1HB   CYS  48          2HB       CYS  48 -12.145   1.018  -6.204
  400   2HB   CYS  48          1HB       CYS  48 -13.651   1.761  -5.674
  401    H    LYS  49           H        LYS  49 -14.812  -1.589  -8.211
  402    HA   LYS  49           HA       LYS  49 -15.871   0.816  -9.546
  403   1HB   LYS  49          2HB       LYS  49 -16.295  -0.631 -11.419
  404   2HB   LYS  49          1HB       LYS  49 -14.712  -1.066 -10.775
  405   1HG   LYS  49          2HG       LYS  49 -15.986  -2.820  -9.360
  406   2HG   LYS  49          1HG       LYS  49 -17.330  -2.540 -10.465
  407   1HD   LYS  49          2HD       LYS  49 -14.544  -3.244 -11.425
  408   2HD   LYS  49          1HD       LYS  49 -15.776  -4.460 -11.093
  409   1HE   LYS  49          2HE       LYS  49 -15.988  -2.192 -13.094
  410   2HE   LYS  49          1HE       LYS  49 -15.821  -3.908 -13.467
  411   1HZ   LYS  49          1HZ       LYS  49 -18.026  -3.974 -13.455
  412   2HZ   LYS  49          2HZ       LYS  49 -18.159  -2.424 -12.771
  413   3HZ   LYS  49          3HZ       LYS  49 -17.957  -3.782 -11.771
  414    H    ASN  50           H        ASN  50 -17.954   1.464  -9.387
  415    HA   ASN  50           HA       ASN  50 -20.288   1.337  -9.118
  416   1HB   ASN  50          2HB       ASN  50 -19.790  -1.135 -10.008
  417   2HB   ASN  50          1HB       ASN  50 -20.216  -1.554  -8.348
  418   1HD2  ASN  50          1HD2      ASN  50 -21.495   0.835 -10.750
  419   2HD2  ASN  50          2HD2      ASN  50 -23.118   0.380 -10.548
  420    H    ILE  51           H        ILE  51 -18.009   1.156  -6.853
  421    HA   ILE  51           HA       ILE  51 -19.260   0.152  -4.518
  422    HB   ILE  51           HB       ILE  51 -17.386   2.522  -4.779
  423   1HG1  ILE  51          2HG1      ILE  51 -16.742   0.121  -5.641
  424   2HG1  ILE  51          1HG1      ILE  51 -15.605   1.012  -4.633
  425   1HG2  ILE  51          1HG2      ILE  51 -16.811   1.707  -2.374
  426   2HG2  ILE  51          2HG2      ILE  51 -18.391   0.929  -2.427
  427   3HG2  ILE  51          3HG2      ILE  51 -18.261   2.679  -2.602
  428   1HD1  ILE  51          1HD1      ILE  51 -16.059  -0.286  -2.739
  429   2HD1  ILE  51          2HD1      ILE  51 -16.149  -1.478  -4.035
  430   3HD1  ILE  51          3HD1      ILE  51 -17.627  -0.810  -3.349
  431    H    ARG  52           H        ARG  52 -19.910   1.776  -2.657
  432    HA   ARG  52           HA       ARG  52 -22.044   3.522  -3.795
  433   1HB   ARG  52          2HB       ARG  52 -22.796   1.742  -2.271
  434   2HB   ARG  52          1HB       ARG  52 -21.730   2.368  -1.013
  435   1HG   ARG  52          2HG       ARG  52 -22.957   4.450  -0.915
  436   2HG   ARG  52          1HG       ARG  52 -23.925   3.998  -2.319
  437   1HD   ARG  52          2HD       ARG  52 -24.967   2.187  -1.094
  438   2HD   ARG  52          1HD       ARG  52 -23.891   2.439   0.279
  439    HE   ARG  52           HE       ARG  52 -25.481   4.795  -0.414
  440   1HH1  ARG  52          1HH2      ARG  52 -25.254   1.828   1.328
  441   2HH1  ARG  52          2HH2      ARG  52 -26.410   2.292   2.532
  442   1HH2  ARG  52          1HH1      ARG  52 -26.992   5.417   1.148
  443   2HH2  ARG  52          2HH1      ARG  52 -27.393   4.324   2.430
  444    H    ASP  53           H        ASP  53 -19.912   3.530  -0.932
  445    HA   ASP  53           HA       ASP  53 -18.906   6.193  -1.470
  446   1HB   ASP  53          2HB       ASP  53 -21.368   6.507  -0.692
  447   2HB   ASP  53          1HB       ASP  53 -20.756   6.068   0.902
  448    H    ASN  54           H        ASN  54 -18.766   6.815   1.385
  449    HA   ASN  54           HA       ASN  54 -16.286   5.521   1.978
  450   1HB   ASN  54          2HB       ASN  54 -18.000   6.718   4.141
  451   2HB   ASN  54          1HB       ASN  54 -16.252   6.815   3.926
  452   1HD2  ASN  54          1HD2      ASN  54 -15.804   7.844   1.491
  453   2HD2  ASN  54          2HD2      ASN  54 -16.627   9.307   1.242
  454    H    THR  55           H        THR  55 -16.499   3.282   2.000
  455    HA   THR  55           HA       THR  55 -18.025   2.166   4.312
  456    HB   THR  55           HB       THR  55 -17.963   0.234   2.186
  457    HG1  THR  55           1HG      THR  55 -19.578   2.191   1.242
  458   1HG2  THR  55          1HG2      THR  55 -20.442   0.417   2.428
  459   2HG2  THR  55          2HG2      THR  55 -20.204   1.827   3.461
  460   3HG2  THR  55          3HG2      THR  55 -19.613   0.246   3.975
  461    H    ASP  56           H        ASP  56 -17.029   0.321   5.258
  462    HA   ASP  56           HA       ASP  56 -14.133   0.155   4.743
  463   1HB   ASP  56          2HB       ASP  56 -15.757  -1.387   6.781
  464   2HB   ASP  56          1HB       ASP  56 -14.017  -1.092   6.795
  465    H    VAL  57           H        VAL  57 -13.438  -1.226   3.209
  466    HA   VAL  57           HA       VAL  57 -14.959  -3.766   2.772
  467    HB   VAL  57           HB       VAL  57 -13.770  -3.777   0.543
  468   1HG1  VAL  57          1HG1      VAL  57 -15.474  -1.347   1.178
  469   2HG1  VAL  57          2HG1      VAL  57 -16.085  -2.955   0.787
  470   3HG1  VAL  57          3HG1      VAL  57 -15.212  -2.023  -0.430
  471   1HG2  VAL  57          1HG2      VAL  57 -11.950  -2.193   1.402
  472   2HG2  VAL  57          2HG2      VAL  57 -13.126  -0.895   1.207
  473   3HG2  VAL  57          3HG2      VAL  57 -12.599  -1.827  -0.195
  474    H    LEU  58           H        LEU  58 -13.273  -5.485   1.789
  475    HA   LEU  58           HA       LEU  58 -10.617  -5.374   3.020
  476   1HB   LEU  58          2HB       LEU  58 -11.836  -5.949   4.999
  477   2HB   LEU  58          1HB       LEU  58 -12.839  -7.103   4.130
  478    HG   LEU  58           HG       LEU  58 -10.911  -8.581   3.807
  479   1HD1  LEU  58          1HD1      LEU  58  -8.784  -7.980   5.058
  480   2HD1  LEU  58          2HD1      LEU  58  -9.432  -6.354   5.216
  481   3HD1  LEU  58          3HD1      LEU  58  -9.097  -7.017   3.621
  482   1HD2  LEU  58          1HD2      LEU  58 -12.194  -8.823   5.873
  483   2HD2  LEU  58          2HD2      LEU  58 -11.221  -7.573   6.648
  484   3HD2  LEU  58          3HD2      LEU  58 -10.487  -9.113   6.201
  485    H    SER  59           H        SER  59  -9.217  -6.876   2.007
  486    HA   SER  59           HA       SER  59  -9.989  -7.954  -0.484
  487   1HB   SER  59          2HB       SER  59  -7.691  -7.902  -0.303
  488   2HB   SER  59          1HB       SER  59  -7.709  -8.418   1.379
  489    HG   SER  59           HG       SER  59  -8.537 -10.125  -0.714
  490    H    ARG  60           H        ARG  60 -10.537 -10.095  -1.147
  491    HA   ARG  60           HA       ARG  60 -12.090 -11.560   0.895
  492   1HB   ARG  60          2HB       ARG  60 -11.805 -12.204  -2.050
  493   2HB   ARG  60          1HB       ARG  60 -13.075 -12.744  -0.953
  494   1HG   ARG  60          2HG       ARG  60 -12.560  -9.840  -1.667
  495   2HG   ARG  60          1HG       ARG  60 -13.789 -10.848  -2.429
  496   1HD   ARG  60          2HD       ARG  60 -14.645 -11.294  -0.032
  497   2HD   ARG  60          1HD       ARG  60 -13.650  -9.914   0.438
  498    HE   ARG  60           HE       ARG  60 -15.264  -8.515  -0.545
  499   1HH1  ARG  60          1HH2      ARG  60 -15.443 -11.733  -1.772
  500   2HH1  ARG  60          2HH2      ARG  60 -16.858 -11.433  -2.724
  501   1HH2  ARG  60          1HH1      ARG  60 -17.110  -8.106  -1.783
  502   2HH2  ARG  60          2HH1      ARG  60 -17.802  -9.380  -2.730
  503    H    ASP  61           H        ASP  61  -8.951 -11.593   0.347
  504    HA   ASP  61           HA       ASP  61  -8.630 -14.337   1.226
  505   1HB   ASP  61          2HB       ASP  61  -8.976 -14.785  -1.161
  506   2HB   ASP  61          1HB       ASP  61  -7.722 -13.619  -1.578
  507    H    ALA  62           H        ALA  62  -6.247 -12.820  -0.859
  508    HA   ALA  62           HA       ALA  62  -4.884 -11.563   1.416
  509   1HB   ALA  62          1HB       ALA  62  -4.112 -13.816   1.745
  510   2HB   ALA  62          2HB       ALA  62  -2.789 -12.920   0.997
  511   3HB   ALA  62          3HB       ALA  62  -3.776 -14.010   0.024
  512    H    PHE  63           H        PHE  63  -2.722 -10.622   0.643
  513    HA   PHE  63           HA       PHE  63  -2.536 -10.162  -2.260
  514   1HB   PHE  63          2HB       PHE  63  -3.450  -8.087  -0.290
  515   2HB   PHE  63          1HB       PHE  63  -2.426  -7.583  -1.634
  516    HD1  PHE  63           1HD      PHE  63  -5.657  -9.159  -0.726
  517    HD2  PHE  63           2HD      PHE  63  -3.239  -7.565  -3.899
  518    HE1  PHE  63           1HE      PHE  63  -7.619  -9.204  -2.244
  519    HE2  PHE  63           2HE      PHE  63  -5.201  -7.609  -5.415
  520    HZ   PHE  63           HZ       PHE  63  -7.390  -8.429  -4.587
  521    H    LEU  64           H        LEU  64  -0.415  -9.802  -2.822
  522    HA   LEU  64           HA       LEU  64   1.604 -10.027  -0.725
  523   1HB   LEU  64          2HB       LEU  64   1.668 -11.013  -3.122
  524   2HB   LEU  64          1HB       LEU  64   2.141  -9.395  -3.630
  525    HG   LEU  64           HG       LEU  64   3.603 -10.782  -1.380
  526   1HD1  LEU  64          1HD1      LEU  64   3.726 -12.380  -3.175
  527   2HD1  LEU  64          2HD1      LEU  64   5.258 -11.506  -3.151
  528   3HD1  LEU  64          3HD1      LEU  64   4.035 -11.110  -4.359
  529   1HD2  LEU  64          1HD2      LEU  64   4.201  -8.563  -3.353
  530   2HD2  LEU  64          2HD2      LEU  64   5.476  -9.355  -2.430
  531   3HD2  LEU  64          3HD2      LEU  64   4.196  -8.483  -1.591
  532    H    LEU  65           H        LEU  65   2.202  -8.231   0.430
  533    HA   LEU  65           HA       LEU  65   2.366  -5.648  -1.069
  534   1HB   LEU  65          2HB       LEU  65   2.234  -5.086   1.710
  535   2HB   LEU  65          1HB       LEU  65   1.036  -4.719   0.485
  536    HG   LEU  65           HG       LEU  65   1.134  -7.466   1.687
  537   1HD1  LEU  65          1HD1      LEU  65   1.070  -6.004   3.609
  538   2HD1  LEU  65          2HD1      LEU  65  -0.576  -6.575   3.330
  539   3HD1  LEU  65          3HD1      LEU  65  -0.109  -4.949   2.830
  540   1HD2  LEU  65          1HD2      LEU  65  -1.274  -7.357   1.110
  541   2HD2  LEU  65          2HD2      LEU  65  -0.284  -7.006  -0.307
  542   3HD2  LEU  65          3HD2      LEU  65  -1.069  -5.694   0.568
  543    HA   PRO  66           HA       PRO  66   6.653  -5.865   0.229
  544   1HB   PRO  66          2HB       PRO  66   7.412  -3.370  -0.589
  545   2HB   PRO  66          1HB       PRO  66   7.179  -4.721  -1.714
  546   1HG   PRO  66          2HG       PRO  66   5.396  -2.425  -1.123
  547   2HG   PRO  66          1HG       PRO  66   5.689  -3.257  -2.654
  548   1HD   PRO  66          2HD       PRO  66   3.459  -3.666  -1.078
  549   2HD   PRO  66          1HD       PRO  66   4.089  -4.849  -2.245
  550    H    GLN  67           H        GLN  67   7.898  -4.973   2.030
  551    HA   GLN  67           HA       GLN  67   6.639  -2.734   3.519
  552   1HB   GLN  67          2HB       GLN  67   7.307  -5.346   4.893
  553   2HB   GLN  67          1HB       GLN  67   6.465  -3.955   5.575
  554   1HG   GLN  67          2HG       GLN  67   4.645  -4.304   3.878
  555   2HG   GLN  67          1HG       GLN  67   5.457  -5.792   3.385
  556   1HE2  GLN  67          1HE2      GLN  67   4.138  -7.433   4.242
  557   2HE2  GLN  67          2HE2      GLN  67   3.664  -7.528   5.869
  558    H    CYS  68           H        CYS  68   8.166  -1.406   4.335
  559    HA   CYS  68           HA       CYS  68  11.003  -2.272   4.191
  560   1HB   CYS  68          2HB       CYS  68   9.922   0.445   4.969
  561   2HB   CYS  68          1HB       CYS  68  11.546   0.055   4.402
  562    H    ASP  69           H        ASP  69  12.217  -2.683   6.020
  563    HA   ASP  69           HA       ASP  69  11.000  -1.984   8.670
  564   1HB   ASP  69          2HB       ASP  69  10.756  -4.445   7.985
  565   2HB   ASP  69          1HB       ASP  69  12.507  -4.552   8.157
  566    H    ARG  70           H        ARG  70  12.390  -0.449   9.442
  567    HA   ARG  70           HA       ARG  70  15.244  -0.505   8.820
  568   1HB   ARG  70          2HB       ARG  70  14.086   1.639   9.115
  569   2HB   ARG  70          1HB       ARG  70  13.649   1.193  10.765
  570   1HG   ARG  70          2HG       ARG  70  15.966   1.175  11.446
  571   2HG   ARG  70          1HG       ARG  70  16.506   1.385   9.780
  572   1HD   ARG  70          2HD       ARG  70  15.572   3.603   9.677
  573   2HD   ARG  70          1HD       ARG  70  14.765   3.392  11.231
  574    HE   ARG  70           HE       ARG  70  17.678   3.103  11.353
  575   1HH1  ARG  70          1HH2      ARG  70  14.927   5.177  11.490
  576   2HH1  ARG  70          2HH2      ARG  70  15.725   6.394  12.429
  577   1HH2  ARG  70          1HH1      ARG  70  18.736   4.681  12.578
  578   2HH2  ARG  70          2HH1      ARG  70  17.882   6.113  13.044
  579    H    ILE  71           H        ILE  71  16.921  -0.683  10.521
  580    HA   ILE  71           HA       ILE  71  16.265  -1.645  13.160
  581    HB   ILE  71           HB       ILE  71  15.607  -3.665  11.953
  582   1HG1  ILE  71          2HG1      ILE  71  18.346  -4.128  13.164
  583   2HG1  ILE  71          1HG1      ILE  71  16.912  -3.794  14.137
  584   1HG2  ILE  71          1HG2      ILE  71  18.429  -3.630  10.840
  585   2HG2  ILE  71          2HG2      ILE  71  16.977  -3.230   9.922
  586   3HG2  ILE  71          3HG2      ILE  71  17.208  -4.866  10.540
  587   1HD1  ILE  71          1HD1      ILE  71  15.786  -5.757  13.205
  588   2HD1  ILE  71          2HD1      ILE  71  17.334  -6.234  13.903
  589   3HD1  ILE  71          3HD1      ILE  71  17.166  -6.075  12.155
  590    H    LYS  72           H        LYS  72  18.613  -1.284  10.558
  591    HA   LYS  72           HA       LYS  72  20.660  -0.637  12.608
  592   1HB   LYS  72          2HB       LYS  72  20.720  -3.128  11.701
  593   2HB   LYS  72          1HB       LYS  72  21.496  -2.381  10.309
  594   1HG   LYS  72          2HG       LYS  72  23.203  -1.387  11.768
  595   2HG   LYS  72          1HG       LYS  72  22.407  -2.068  13.186
  596   1HD   LYS  72          2HD       LYS  72  22.727  -4.354  12.142
  597   2HD   LYS  72          1HD       LYS  72  23.742  -3.577  10.926
  598   1HE   LYS  72          2HE       LYS  72  25.192  -2.689  12.746
  599   2HE   LYS  72          1HE       LYS  72  24.208  -3.560  13.923
  600   1HZ   LYS  72          1HZ       LYS  72  26.381  -4.563  12.694
  601   2HZ   LYS  72          2HZ       LYS  72  25.131  -5.177  11.722
  602   3HZ   LYS  72          3HZ       LYS  72  25.149  -5.498  13.390
  603    H    LEU  73           H        LEU  73  22.709   0.221  11.378
  604    HA   LEU  73           HA       LEU  73  23.605   1.858   9.969
  605   1HB   LEU  73          2HB       LEU  73  21.412   1.205   7.994
  606   2HB   LEU  73          1HB       LEU  73  23.048   1.752   7.658
  607    HG   LEU  73           HG       LEU  73  22.217  -0.959   8.704
  608   1HD1  LEU  73          1HD1      LEU  73  22.012  -0.759   6.305
  609   2HD1  LEU  73          2HD1      LEU  73  23.474  -1.686   6.646
  610   3HD1  LEU  73          3HD1      LEU  73  23.594   0.013   6.188
  611   1HD2  LEU  73          1HD2      LEU  73  24.933   0.361   8.508
  612   2HD2  LEU  73          2HD2      LEU  73  24.740  -1.392   8.559
  613   3HD2  LEU  73          3HD2      LEU  73  24.202  -0.406   9.918
  614    HA   PRO  74           HA       PRO  74  21.022   5.416  10.509
  615   1HB   PRO  74          2HB       PRO  74  21.794   6.903   8.174
  616   2HB   PRO  74          1HB       PRO  74  22.473   7.014   9.805
  617   1HG   PRO  74          2HG       PRO  74  23.795   6.043   7.569
  618   2HG   PRO  74          1HG       PRO  74  24.269   5.768   9.253
  619   1HD   PRO  74          2HD       PRO  74  22.835   3.937   7.374
  620   2HD   PRO  74          1HD       PRO  74  23.982   3.551   8.679
  621    H    CYS  75           H        CYS  75  20.999   5.237   6.925
  622    HA   CYS  75           HA       CYS  75  18.007   5.369   7.057
  623   1HB   CYS  75          2HB       CYS  75  19.317   7.371   6.102
  624   2HB   CYS  75          1HB       CYS  75  19.682   6.319   4.733
  625    H    HIS  76           H        HIS  76  18.850   2.856   7.202
  626    HA   HIS  76           HA       HIS  76  18.611   1.812   4.399
  627   1HB   HIS  76          2HB       HIS  76  20.843   1.428   5.737
  628   2HB   HIS  76          1HB       HIS  76  19.899   0.217   6.605
  629    HD1  HIS  76           1HD      HIS  76  19.391  -1.964   5.406
  630    HD2  HIS  76           2HD      HIS  76  21.082   0.889   2.877
  631    HE1  HIS  76           1HE      HIS  76  19.907  -3.152   3.227
  632    HE2  HIS  76           2HE      HIS  76  20.936  -1.425   1.681
  633    H    TYR  77           H        TYR  77  17.285  -0.098   4.187
  634    HA   TYR  77           HA       TYR  77  15.660  -0.802   6.590
  635   1HB   TYR  77          2HB       TYR  77  14.365  -0.468   3.893
  636   2HB   TYR  77          1HB       TYR  77  13.609  -0.485   5.487
  637    HD1  TYR  77           1HD      TYR  77  13.540   1.489   6.869
  638    HD2  TYR  77           2HD      TYR  77  15.645   1.515   3.125
  639    HE1  TYR  77           1HE      TYR  77  13.716   3.958   6.986
  640    HE2  TYR  77           2HE      TYR  77  15.820   3.987   3.241
  641    HH   TYR  77           HH       TYR  77  14.704   5.858   4.308
  642    H    LYS  78           H        LYS  78  14.388  -2.843   6.192
  643    HA   LYS  78           HA       LYS  78  15.998  -4.714   4.506
  644   1HB   LYS  78          2HB       LYS  78  15.752  -5.080   7.046
  645   2HB   LYS  78          1HB       LYS  78  14.071  -5.488   6.704
  646   1HG   LYS  78          2HG       LYS  78  15.047  -7.594   6.567
  647   2HG   LYS  78          1HG       LYS  78  15.157  -7.082   4.884
  648   1HD   LYS  78          2HD       LYS  78  17.466  -6.331   5.237
  649   2HD   LYS  78          1HD       LYS  78  17.361  -6.764   6.944
  650   1HE   LYS  78          2HE       LYS  78  16.936  -9.125   6.297
  651   2HE   LYS  78          1HE       LYS  78  17.126  -8.675   4.602
  652   1HZ   LYS  78          1HZ       LYS  78  19.285  -7.769   6.258
  653   2HZ   LYS  78          2HZ       LYS  78  19.328  -8.631   4.794
  654   3HZ   LYS  78          3HZ       LYS  78  19.122  -9.457   6.264
  655    H    LEU  79           H        LEU  79  14.918  -6.047   3.023
  656    HA   LEU  79           HA       LEU  79  12.252  -5.099   2.210
  657   1HB   LEU  79          2HB       LEU  79  14.342  -5.771   0.709
  658   2HB   LEU  79          1HB       LEU  79  13.657  -7.386   0.866
  659    HG   LEU  79           HG       LEU  79  12.750  -6.379  -1.137
  660   1HD1  LEU  79          1HD1      LEU  79  10.577  -6.106   0.942
  661   2HD1  LEU  79          2HD1      LEU  79  11.237  -7.676   0.483
  662   3HD1  LEU  79          3HD1      LEU  79  10.432  -6.670  -0.722
  663   1HD2  LEU  79          1HD2      LEU  79  13.106  -3.971   0.038
  664   2HD2  LEU  79          2HD2      LEU  79  11.377  -4.168   0.326
  665   3HD2  LEU  79          3HD2      LEU  79  12.008  -4.210  -1.319
  666    H    SER  80           H        SER  80  10.454  -6.042   3.020
  667    HA   SER  80           HA       SER  80  10.426  -8.984   3.433
  668   1HB   SER  80          2HB       SER  80  10.955  -8.134   5.644
  669   2HB   SER  80          1HB       SER  80   9.681  -6.923   5.530
  670    HG   SER  80           HG       SER  80   9.187  -9.701   5.300
  671    H    SER  81           H        SER  81   8.560  -9.803   2.584
  672    HA   SER  81           HA       SER  81   6.135  -8.077   2.508
  673   1HB   SER  81          2HB       SER  81   5.827  -8.278   0.190
  674   2HB   SER  81          1HB       SER  81   7.564  -8.018   0.322
  675    HG   SER  81           HG       SER  81   6.161 -10.210  -0.520
  676    H    SER  82           H        SER  82   4.166  -9.369   2.007
  677    HA   SER  82           HA       SER  82   4.332 -12.277   2.057
  678   1HB   SER  82          2HB       SER  82   3.467 -10.765   4.535
  679   2HB   SER  82          1HB       SER  82   3.046 -12.450   4.244
  680    HG   SER  82           HG       SER  82   5.092 -11.852   5.458
  681    H    THR  83           H        THR  83   2.092 -13.230   2.128
  682    HA   THR  83           HA       THR  83   0.221 -11.383   0.756
  683    HB   THR  83           HB       THR  83  -0.764 -13.911   0.420
  684    HG1  THR  83           1HG      THR  83   1.165 -14.620   1.586
  685   1HG2  THR  83          1HG2      THR  83  -0.332 -12.272  -1.356
  686   2HG2  THR  83          2HG2      THR  83   0.360 -13.836  -1.785
  687   3HG2  THR  83          3HG2      THR  83   1.402 -12.544  -1.189
  688    H    ASN  84           H        ASN  84  -1.459 -10.652   1.952
  689    HA   ASN  84           HA       ASN  84  -2.949 -12.468   3.696
  690   1HB   ASN  84          2HB       ASN  84  -2.685 -10.991   5.715
  691   2HB   ASN  84          1HB       ASN  84  -1.204 -11.836   5.262
  692   1HD2  ASN  84          1HD2      ASN  84  -2.862  -8.710   4.512
  693   2HD2  ASN  84          2HD2      ASN  84  -1.434  -7.794   4.490
  694    H    THR  85           H        THR  85  -5.004 -11.510   4.352
  695    HA   THR  85           HA       THR  85  -6.108  -9.719   2.427
  696    HB   THR  85           HB       THR  85  -7.500  -9.872   5.028
  697    HG1  THR  85           1HG      THR  85  -6.310 -11.817   5.066
  698   1HG2  THR  85          1HG2      THR  85  -8.777  -9.278   3.117
  699   2HG2  THR  85          2HG2      THR  85  -9.227 -10.943   3.477
  700   3HG2  THR  85          3HG2      THR  85  -8.108 -10.601   2.162
  701    H    ILE  86           H        ILE  86  -7.037  -7.535   2.944
  702    HA   ILE  86           HA       ILE  86  -5.759  -6.143   5.219
  703    HB   ILE  86           HB       ILE  86  -4.337  -4.821   4.018
  704   1HG1  ILE  86          2HG1      ILE  86  -6.215  -3.669   2.819
  705   2HG1  ILE  86          1HG1      ILE  86  -4.783  -3.874   1.824
  706   1HG2  ILE  86          1HG2      ILE  86  -3.675  -7.056   3.327
  707   2HG2  ILE  86          2HG2      ILE  86  -3.462  -5.945   1.975
  708   3HG2  ILE  86          3HG2      ILE  86  -4.847  -7.035   2.008
  709   1HD1  ILE  86          1HD1      ILE  86  -6.674  -6.132   1.657
  710   2HD1  ILE  86          2HD1      ILE  86  -5.827  -5.270   0.373
  711   3HD1  ILE  86          3HD1      ILE  86  -7.312  -4.603   1.051
  712    H    CYS  87           H        CYS  87  -7.181  -4.728   6.106
  713    HA   CYS  87           HA       CYS  87  -9.748  -4.282   4.771
  714   1HB   CYS  87          2HB       CYS  87  -9.882  -2.804   7.057
  715   2HB   CYS  87          1HB       CYS  87 -10.220  -4.529   6.997
  716    H    ILE  88           H        ILE  88 -10.384  -2.419   3.801
  717    HA   ILE  88           HA       ILE  88  -8.816   0.063   4.166
  718    HB   ILE  88           HB       ILE  88  -7.547  -0.407   2.327
  719   1HG1  ILE  88          2HG1      ILE  88 -10.135  -0.112   0.772
  720   2HG1  ILE  88          1HG1      ILE  88  -9.250   1.251   1.456
  721   1HG2  ILE  88          1HG2      ILE  88  -8.184  -2.769   2.361
  722   2HG2  ILE  88          2HG2      ILE  88  -8.126  -2.189   0.701
  723   3HG2  ILE  88          3HG2      ILE  88  -9.678  -2.400   1.507
  724   1HD1  ILE  88          1HD1      ILE  88  -8.779  -0.079  -1.021
  725   2HD1  ILE  88          2HD1      ILE  88  -7.387  -0.387   0.016
  726   3HD1  ILE  88          3HD1      ILE  88  -7.881   1.271  -0.327
  727    H    THR  89           H        THR  89  -9.987   1.959   3.300
  728    HA   THR  89           HA       THR  89 -12.908   1.365   2.979
  729    HB   THR  89           HB       THR  89 -11.410   3.456   4.453
  730    HG1  THR  89           1HG      THR  89 -12.939   3.023   5.884
  731   1HG2  THR  89          1HG2      THR  89 -13.908   4.060   2.854
  732   2HG2  THR  89          2HG2      THR  89 -12.382   4.945   2.841
  733   3HG2  THR  89          3HG2      THR  89 -13.423   5.004   4.261
  734    H    CYS  90           H        CYS  90 -13.962   2.131   1.211
  735    HA   CYS  90           HA       CYS  90 -12.373   3.703  -0.788
  736   1HB   CYS  90          2HB       CYS  90 -13.173   1.122  -1.098
  737   2HB   CYS  90          1HB       CYS  90 -14.587   1.956  -1.735
  738    H    VAL  91           H        VAL  91 -13.930   4.814  -2.412
  739    HA   VAL  91           HA       VAL  91 -16.310   5.874  -0.928
  740    HB   VAL  91           HB       VAL  91 -14.802   7.416  -3.037
  741   1HG1  VAL  91          1HG1      VAL  91 -16.000   9.254  -2.253
  742   2HG1  VAL  91          2HG1      VAL  91 -16.213   8.563  -0.645
  743   3HG1  VAL  91          3HG1      VAL  91 -17.181   7.971  -1.992
  744   1HG2  VAL  91          1HG2      VAL  91 -13.645   8.530  -1.082
  745   2HG2  VAL  91          2HG2      VAL  91 -13.128   6.871  -1.387
  746   3HG2  VAL  91          3HG2      VAL  91 -14.243   7.219  -0.066
  747    H    ASN  92           H        ASN  92 -16.723   7.412  -3.608
  748    HA   ASN  92           HA       ASN  92 -18.760   5.793  -4.667
  749   1HB   ASN  92          2HB       ASN  92 -18.254   8.278  -5.135
  750   2HB   ASN  92          1HB       ASN  92 -17.151   7.680  -6.376
  751   1HD2  ASN  92          1HD2      ASN  92 -19.432   9.199  -7.129
  752   2HD2  ASN  92          2HD2      ASN  92 -20.527   8.184  -7.936
  753    H    GLN  93           H        GLN  93 -15.411   6.040  -5.577
  754    HA   GLN  93           HA       GLN  93 -15.131   3.346  -6.387
  755   1HB   GLN  93          2HB       GLN  93 -14.902   3.808  -8.910
  756   2HB   GLN  93          1HB       GLN  93 -16.541   3.707  -8.269
  757   1HG   GLN  93          2HG       GLN  93 -16.789   6.080  -8.260
  758   2HG   GLN  93          1HG       GLN  93 -15.063   6.333  -8.517
  759   1HE2  GLN  93          1HE2      GLN  93 -14.227   6.075 -10.688
  760   2HE2  GLN  93          2HE2      GLN  93 -15.248   5.892 -12.031
  761    H    LEU  94           H        LEU  94 -13.543   4.929  -4.894
  762    HA   LEU  94           HA       LEU  94 -11.035   4.956  -6.420
  763   1HB   LEU  94          2HB       LEU  94 -12.556   7.340  -6.218
  764   2HB   LEU  94          1HB       LEU  94 -11.230   7.520  -5.077
  765    HG   LEU  94           HG       LEU  94  -9.678   6.761  -6.966
  766   1HD1  LEU  94          1HD1      LEU  94 -10.772   7.405  -9.262
  767   2HD1  LEU  94          2HD1      LEU  94 -12.287   7.037  -8.440
  768   3HD1  LEU  94          3HD1      LEU  94 -11.043   5.796  -8.597
  769   1HD2  LEU  94          1HD2      LEU  94 -11.199   9.318  -7.529
  770   2HD2  LEU  94          2HD2      LEU  94  -9.496   8.989  -7.841
  771   3HD2  LEU  94          3HD2      LEU  94 -10.072   9.155  -6.183
  772    HA   PRO  95           HA       PRO  95 -10.464   3.518  -2.078
  773   1HB   PRO  95          2HB       PRO  95  -7.787   2.834  -3.174
  774   2HB   PRO  95          1HB       PRO  95  -8.943   1.812  -2.305
  775   1HG   PRO  95          2HG       PRO  95  -8.511   1.567  -4.939
  776   2HG   PRO  95          1HG       PRO  95 -10.090   1.259  -4.200
  777   1HD   PRO  95          2HD       PRO  95  -9.200   3.600  -5.828
  778   2HD   PRO  95          1HD       PRO  95 -10.811   2.862  -5.690
  779    H    ILE  96           H        ILE  96  -9.563   4.712  -0.370
  780    HA   ILE  96           HA       ILE  96  -7.167   6.352  -0.917
  781    HB   ILE  96           HB       ILE  96  -8.199   8.422  -0.070
  782   1HG1  ILE  96          2HG1      ILE  96 -10.812   8.368  -0.139
  783   2HG1  ILE  96          1HG1      ILE  96 -10.629   6.628   0.066
  784   1HG2  ILE  96          1HG2      ILE  96  -9.308   8.998  -2.084
  785   2HG2  ILE  96          2HG2      ILE  96  -9.874   7.350  -2.338
  786   3HG2  ILE  96          3HG2      ILE  96  -8.168   7.735  -2.533
  787   1HD1  ILE  96          1HD1      ILE  96  -9.029   8.295   1.933
  788   2HD1  ILE  96          2HD1      ILE  96  -9.956   6.828   2.235
  789   3HD1  ILE  96          3HD1      ILE  96 -10.777   8.382   2.140
  790    H    HIS  97           H        HIS  97  -8.995   4.460   1.306
  791    HA   HIS  97           HA       HIS  97  -7.270   5.552   3.515
  792   1HB   HIS  97          2HB       HIS  97 -10.147   4.909   3.419
  793   2HB   HIS  97          1HB       HIS  97  -9.308   4.267   4.830
  794    HD1  HIS  97           1HD      HIS  97  -7.284   6.493   5.371
  795    HD2  HIS  97           2HD      HIS  97 -11.280   7.237   4.429
  796    HE1  HIS  97           1HE      HIS  97  -7.813   8.806   6.261
  797    HE2  HIS  97           2HE      HIS  97 -10.241   9.269   5.693
  798    H    PHE  98           H        PHE  98  -5.916   4.140   4.452
  799    HA   PHE  98           HA       PHE  98  -6.150   1.251   3.722
  800   1HB   PHE  98          2HB       PHE  98  -3.996   2.401   3.182
  801   2HB   PHE  98          1HB       PHE  98  -3.795   2.773   4.893
  802    HD1  PHE  98           1HD      PHE  98  -4.082  -0.006   2.438
  803    HD2  PHE  98           2HD      PHE  98  -3.007   1.134   6.438
  804    HE1  PHE  98           1HE      PHE  98  -3.087  -2.248   2.809
  805    HE2  PHE  98           2HE      PHE  98  -2.012  -1.107   6.809
  806    HZ   PHE  98           HZ       PHE  98  -2.052  -2.798   4.996
  807    H    ALA  99           H        ALA  99  -7.467   0.366   5.293
  808    HA   ALA  99           HA       ALA  99  -7.670   1.225   7.983
  809   1HB   ALA  99          1HB       ALA  99  -9.082  -0.496   6.538
  810   2HB   ALA  99          2HB       ALA  99  -9.031  -0.632   8.296
  811   3HB   ALA  99          3HB       ALA  99  -8.015  -1.667   7.302
  812    H    GLY 100           H        GLY 100  -6.332  -1.986   7.225
  813   1HA   GLY 100          2HA       GLY 100  -3.749  -1.419   8.416
  814   2HA   GLY 100          1HA       GLY 100  -4.805  -2.269   9.545
  815    H    VAL 101           H        VAL 101  -2.887  -3.858   9.175
  816    HA   VAL 101           HA       VAL 101  -2.983  -5.371   6.667
  817    HB   VAL 101           HB       VAL 101  -0.864  -5.107   7.921
  818   1HG1  VAL 101          1HG1      VAL 101  -2.112  -6.920  10.000
  819   2HG1  VAL 101          2HG1      VAL 101  -2.026  -5.168  10.184
  820   3HG1  VAL 101          3HG1      VAL 101  -0.544  -6.117  10.075
  821   1HG2  VAL 101          1HG2      VAL 101  -1.716  -8.007   8.036
  822   2HG2  VAL 101          2HG2      VAL 101  -0.121  -7.356   7.659
  823   3HG2  VAL 101          3HG2      VAL 101  -1.442  -7.175   6.505
  824    H    GLY 102           H        GLY 102  -3.549  -7.676   6.610
  825   1HA   GLY 102          2HA       GLY 102  -5.067  -9.423   7.015
  826   2HA   GLY 102          1HA       GLY 102  -4.783  -9.098   8.726
  827    H    SER 103           H        SER 103  -7.247  -9.786   8.496
  828    HA   SER 103           HA       SER 103  -9.095  -7.800   7.523
  829   1HB   SER 103          2HB       SER 103 -10.796  -9.134   8.520
  830   2HB   SER 103          1HB       SER 103  -9.558 -10.282   8.018
  831    HG   SER 103           HG       SER 103  -8.751  -9.729  10.316
  832    H    CYS 104           H        CYS 104 -10.151  -6.142   8.661
  833    HA   CYS 104           HA       CYS 104  -8.747  -5.187  11.046
  834   1HB   CYS 104          2HB       CYS 104 -10.816  -4.088   9.192
  835   2HB   CYS 104          1HB       CYS 104 -10.694  -3.384  10.804
  836    HA   PRO 105           HA       PRO 105 -11.560  -6.861  14.021
  837   1HB   PRO 105          2HB       PRO 105 -11.519  -4.918  15.959
  838   2HB   PRO 105          1HB       PRO 105 -10.176  -6.043  15.677
  839   1HG   PRO 105          2HG       PRO 105 -10.490  -3.215  14.790
  840   2HG   PRO 105          1HG       PRO 105  -9.054  -4.052  15.406
  841   1HD   PRO 105          2HD       PRO 105  -9.450  -3.587  12.744
  842   2HD   PRO 105          1HD       PRO 105  -8.554  -4.999  13.348
  Start of MODEL   17
    1    HN   PCA   1           H        PCA   1  -6.452   9.291   0.853
    2    HA   PCA   1           HA       PCA   1  -7.835  11.421   1.423
    3   1HB   PCA   1          1HB       PCA   1  -6.393  12.889   2.400
    4   2HB   PCA   1          2HB       PCA   1  -5.924  13.324   0.773
    5   1HG   PCA   1          1HG       PCA   1  -4.370  12.171   2.604
    6   2HG   PCA   1          2HG       PCA   1  -4.139  12.075   0.844
    7    H    ASP   2           H        ASP   2  -6.102  10.002  -1.037
    8    HA   ASP   2           HA       ASP   2  -7.923  10.992  -3.035
    9   1HB   ASP   2          2HB       ASP   2  -6.252  12.939  -2.677
   10   2HB   ASP   2          1HB       ASP   2  -5.072  11.895  -3.469
   11    H    TRP   3           H        TRP   3  -8.070   9.337  -4.475
   12    HA   TRP   3           HA       TRP   3  -6.603   6.975  -4.309
   13   1HB   TRP   3          2HB       TRP   3  -8.579   6.853  -5.572
   14   2HB   TRP   3          1HB       TRP   3  -8.144   8.243  -6.560
   15    HD1  TRP   3           HD       TRP   3  -7.847   7.404  -8.918
   16    HE1  TRP   3           1HE      TRP   3  -6.591   5.465 -10.055
   17    HE3  TRP   3           3HE      TRP   3  -6.133   4.900  -4.793
   18    HZ2  TRP   3           2HZ      TRP   3  -5.069   3.164  -9.322
   19    HZ3  TRP   3           3HZ      TRP   3  -4.786   2.843  -5.051
   20    HH2  TRP   3           HH       TRP   3  -4.252   1.970  -7.308
   21    H    GLU   4           H        GLU   4  -5.734   9.953  -5.936
   22    HA   GLU   4           HA       GLU   4  -3.674   8.904  -7.624
   23   1HB   GLU   4          2HB       GLU   4  -3.817  11.626  -6.284
   24   2HB   GLU   4          1HB       GLU   4  -2.816  11.208  -7.676
   25   1HG   GLU   4          2HG       GLU   4  -5.835  10.953  -7.649
   26   2HG   GLU   4          1HG       GLU   4  -4.979  12.363  -8.273
   27    H    THR   5           H        THR   5  -2.884  10.972  -4.832
   28    HA   THR   5           HA       THR   5  -0.314   9.935  -4.429
   29    HB   THR   5           HB       THR   5  -1.277  11.942  -3.279
   30    HG1  THR   5           1HG      THR   5   0.032   9.895  -1.862
   31   1HG2  THR   5          1HG2      THR   5  -3.381  10.594  -2.594
   32   2HG2  THR   5          2HG2      THR   5  -2.721  11.740  -1.428
   33   3HG2  THR   5          3HG2      THR   5  -2.393  10.016  -1.252
   34    H    PHE   6           H        PHE   6  -3.357   8.849  -2.897
   35    HA   PHE   6           HA       PHE   6  -2.309   6.799  -1.286
   36   1HB   PHE   6          2HB       PHE   6  -4.760   7.564  -1.537
   37   2HB   PHE   6          1HB       PHE   6  -4.837   6.464  -2.911
   38    HD1  PHE   6           1HD      PHE   6  -5.095   4.130  -2.597
   39    HD2  PHE   6           2HD      PHE   6  -4.066   6.635   0.737
   40    HE1  PHE   6           1HE      PHE   6  -5.452   2.222  -1.056
   41    HE2  PHE   6           2HE      PHE   6  -4.422   4.725   2.278
   42    HZ   PHE   6           HZ       PHE   6  -5.117   2.520   1.381
   43    H    GLN   7           H        GLN   7  -2.560   7.032  -4.740
   44    HA   GLN   7           HA       GLN   7  -1.987   4.156  -5.123
   45   1HB   GLN   7          2HB       GLN   7  -3.526   5.229  -6.701
   46   2HB   GLN   7          1HB       GLN   7  -2.301   6.423  -7.119
   47   1HG   GLN   7          2HG       GLN   7  -1.692   3.493  -7.412
   48   2HG   GLN   7          1HG       GLN   7  -2.620   4.328  -8.657
   49   1HE2  GLN   7          1HE2      GLN   7  -1.370   6.847  -8.703
   50   2HE2  GLN   7          2HE2      GLN   7   0.251   6.668  -9.176
   51    H    LYS   8           H        LYS   8  -0.328   7.165  -4.805
   52    HA   LYS   8           HA       LYS   8   2.074   6.215  -6.232
   53   1HB   LYS   8          2HB       LYS   8   1.685   8.736  -4.601
   54   2HB   LYS   8          1HB       LYS   8   2.977   8.414  -5.757
   55   1HG   LYS   8          2HG       LYS   8   0.141   8.189  -6.714
   56   2HG   LYS   8          1HG       LYS   8   0.812   9.800  -6.470
   57   1HD   LYS   8          2HD       LYS   8   2.724   9.219  -7.934
   58   2HD   LYS   8          1HD       LYS   8   2.024   7.621  -8.198
   59   1HE   LYS   8          2HE       LYS   8   1.473   9.179 -10.048
   60   2HE   LYS   8          1HE       LYS   8   0.027   8.636  -9.198
   61   1HZ   LYS   8          1HZ       LYS   8   0.722  11.222  -9.655
   62   2HZ   LYS   8          2HZ       LYS   8   1.187  10.984  -8.037
   63   3HZ   LYS   8          3HZ       LYS   8  -0.417  10.690  -8.516
   64    H    LYS   9           H        LYS   9   1.319   7.202  -2.848
   65    HA   LYS   9           HA       LYS   9   3.919   6.173  -1.974
   66   1HB   LYS   9          2HB       LYS   9   2.788   6.713   0.356
   67   2HB   LYS   9          1HB       LYS   9   3.343   8.013  -0.697
   68   1HG   LYS   9          2HG       LYS   9   1.168   8.532  -1.420
   69   2HG   LYS   9          1HG       LYS   9   0.528   6.965  -0.929
   70   1HD   LYS   9          2HD       LYS   9   0.783   7.544   1.423
   71   2HD   LYS   9          1HD       LYS   9   1.563   9.067   0.995
   72   1HE   LYS   9          2HE       LYS   9  -0.430   9.998   0.158
   73   2HE   LYS   9          1HE       LYS   9  -1.199   8.421  -0.023
   74   1HZ   LYS   9          1HZ       LYS   9  -1.620  10.059   2.041
   75   2HZ   LYS   9          2HZ       LYS   9  -0.371   9.093   2.669
   76   3HZ   LYS   9          3HZ       LYS   9  -1.810   8.376   2.119
   77    H    HIS  10           H        HIS  10   0.520   5.263  -1.185
   78    HA   HIS  10           HA       HIS  10   1.345   2.933   0.304
   79   1HB   HIS  10          2HB       HIS  10  -1.305   3.715  -0.916
   80   2HB   HIS  10          1HB       HIS  10  -1.078   2.251   0.037
   81    HD1  HIS  10           1HD      HIS  10  -0.737   2.507   2.574
   82    HD2  HIS  10           2HD      HIS  10  -1.072   6.160   0.587
   83    HE1  HIS  10           1HE      HIS  10  -0.999   4.279   4.368
   84    HE2  HIS  10           2HE      HIS  10  -1.204   6.505   3.169
   85    H    LEU  11           H        LEU  11   0.823   3.441  -3.136
   86    HA   LEU  11           HA       LEU  11   1.075   0.470  -3.497
   87   1HB   LEU  11          2HB       LEU  11  -0.369   2.595  -5.018
   88   2HB   LEU  11          1HB       LEU  11   0.291   1.241  -5.932
   89    HG   LEU  11           HG       LEU  11  -0.911  -0.345  -4.516
   90   1HD1  LEU  11          1HD1      LEU  11  -2.646   0.725  -2.908
   91   2HD1  LEU  11          2HD1      LEU  11  -1.632   2.166  -3.006
   92   3HD1  LEU  11          3HD1      LEU  11  -0.967   0.659  -2.383
   93   1HD2  LEU  11          1HD2      LEU  11  -3.278   0.437  -5.051
   94   2HD2  LEU  11          2HD2      LEU  11  -2.162   0.402  -6.416
   95   3HD2  LEU  11          3HD2      LEU  11  -2.555   1.935  -5.637
   96    H    THR  12           H        THR  12   2.628  -0.335  -4.912
   97    HA   THR  12           HA       THR  12   4.549   1.671  -6.043
   98    HB   THR  12           HB       THR  12   5.702   0.768  -4.163
   99    HG1  THR  12           1HG      THR  12   6.810  -1.063  -5.788
  100   1HG2  THR  12          1HG2      THR  12   4.994  -1.170  -3.260
  101   2HG2  THR  12          2HG2      THR  12   5.784  -2.025  -4.581
  102   3HG2  THR  12          3HG2      THR  12   4.087  -1.570  -4.717
  103    H    ASP  13           H        ASP  13   6.196  -0.078  -7.422
  104    HA   ASP  13           HA       ASP  13   4.274  -1.407  -9.301
  105   1HB   ASP  13          2HB       ASP  13   5.381   0.698 -10.148
  106   2HB   ASP  13          1HB       ASP  13   6.925  -0.148 -10.035
  107    H    THR  14           H        THR  14   6.337  -2.318  -6.989
  108    HA   THR  14           HA       THR  14   7.077  -4.759  -8.499
  109    HB   THR  14           HB       THR  14   9.011  -3.230  -8.771
  110    HG1  THR  14           1HG      THR  14  10.442  -4.744  -7.363
  111   1HG2  THR  14          1HG2      THR  14  10.269  -2.479  -6.849
  112   2HG2  THR  14          2HG2      THR  14   9.222  -3.383  -5.754
  113   3HG2  THR  14          3HG2      THR  14   8.590  -1.987  -6.627
  114    H    LYS  15           H        LYS  15   7.585  -6.549  -7.109
  115    HA   LYS  15           HA       LYS  15   6.183  -6.463  -4.559
  116   1HB   LYS  15          2HB       LYS  15   6.881  -8.842  -4.389
  117   2HB   LYS  15          1HB       LYS  15   6.137  -8.491  -5.949
  118   1HG   LYS  15          2HG       LYS  15   8.534  -8.062  -6.796
  119   2HG   LYS  15          1HG       LYS  15   9.066  -8.862  -5.317
  120   1HD   LYS  15          2HD       LYS  15   7.290 -10.035  -7.475
  121   2HD   LYS  15          1HD       LYS  15   8.936 -10.528  -7.076
  122   1HE   LYS  15          2HE       LYS  15   6.429 -10.886  -5.429
  123   2HE   LYS  15          1HE       LYS  15   7.551 -12.124  -5.994
  124   1HZ   LYS  15          1HZ       LYS  15   7.730 -10.377  -3.696
  125   2HZ   LYS  15          2HZ       LYS  15   9.173 -10.534  -4.582
  126   3HZ   LYS  15          3HZ       LYS  15   8.406 -11.913  -3.949
  127    H    LYS  16           H        LYS  16   9.360  -5.800  -5.590
  128    HA   LYS  16           HA       LYS  16  10.333  -5.911  -2.758
  129   1HB   LYS  16          2HB       LYS  16  12.638  -6.206  -3.836
  130   2HB   LYS  16          1HB       LYS  16  11.563  -7.602  -3.913
  131   1HG   LYS  16          2HG       LYS  16  10.842  -6.816  -6.205
  132   2HG   LYS  16          1HG       LYS  16  12.112  -5.597  -6.120
  133   1HD   LYS  16          2HD       LYS  16  12.692  -8.533  -5.702
  134   2HD   LYS  16          1HD       LYS  16  12.696  -7.803  -7.307
  135   1HE   LYS  16          2HE       LYS  16  14.339  -6.088  -6.412
  136   2HE   LYS  16          1HE       LYS  16  14.458  -7.075  -4.954
  137   1HZ   LYS  16          1HZ       LYS  16  15.474  -8.774  -6.071
  138   2HZ   LYS  16          2HZ       LYS  16  16.092  -7.440  -6.923
  139   3HZ   LYS  16          3HZ       LYS  16  14.813  -8.349  -7.574
  140    H    VAL  17           H        VAL  17   9.253  -3.645  -3.064
  141    HA   VAL  17           HA       VAL  17  10.307  -1.618  -4.686
  142    HB   VAL  17           HB       VAL  17   9.604  -0.029  -2.937
  143   1HG1  VAL  17          1HG1      VAL  17   7.592  -2.261  -2.991
  144   2HG1  VAL  17          2HG1      VAL  17   7.992  -1.363  -4.453
  145   3HG1  VAL  17          3HG1      VAL  17   7.313  -0.523  -3.059
  146   1HG2  VAL  17          1HG2      VAL  17   8.523  -1.202  -0.868
  147   2HG2  VAL  17          2HG2      VAL  17  10.271  -0.982  -0.894
  148   3HG2  VAL  17          3HG2      VAL  17   9.575  -2.554  -1.288
  149    H    LYS  18           H        LYS  18  11.678   0.219  -3.928
  150    HA   LYS  18           HA       LYS  18  14.132  -0.863  -2.648
  151   1HB   LYS  18          2HB       LYS  18  14.894   1.587  -3.553
  152   2HB   LYS  18          1HB       LYS  18  14.956   0.138  -4.552
  153   1HG   LYS  18          2HG       LYS  18  13.834   1.938  -5.770
  154   2HG   LYS  18          1HG       LYS  18  12.682   0.653  -5.416
  155   1HD   LYS  18          2HD       LYS  18  11.670   1.901  -3.660
  156   2HD   LYS  18          1HD       LYS  18  13.016   3.037  -3.593
  157   1HE   LYS  18          2HE       LYS  18  11.116   2.728  -5.933
  158   2HE   LYS  18          1HE       LYS  18  11.054   4.023  -4.738
  159   1HZ   LYS  18          1HZ       LYS  18  13.459   4.444  -5.393
  160   2HZ   LYS  18          2HZ       LYS  18  12.260   4.907  -6.504
  161   3HZ   LYS  18          3HZ       LYS  18  13.146   3.479  -6.752
  162    H    CYS  19           H        CYS  19  12.536  -0.645  -0.712
  163    HA   CYS  19           HA       CYS  19  11.535   1.491   0.546
  164   1HB   CYS  19          2HB       CYS  19  13.404  -0.584   1.686
  165   2HB   CYS  19          1HB       CYS  19  12.627   0.623   2.712
  166    H    ASP  20           H        ASP  20  15.000   1.048   0.012
  167    HA   ASP  20           HA       ASP  20  16.099   2.981   1.692
  168   1HB   ASP  20          2HB       ASP  20  17.514   1.602   0.280
  169   2HB   ASP  20          1HB       ASP  20  16.839   2.332  -1.177
  170    H    VAL  21           H        VAL  21  14.557   3.486  -1.477
  171    HA   VAL  21           HA       VAL  21  14.705   6.430  -1.003
  172    HB   VAL  21           HB       VAL  21  13.742   5.157  -3.550
  173   1HG1  VAL  21          1HG1      VAL  21  15.252   7.704  -2.897
  174   2HG1  VAL  21          2HG1      VAL  21  13.532   7.592  -3.271
  175   3HG1  VAL  21          3HG1      VAL  21  14.730   7.215  -4.509
  176   1HG2  VAL  21          1HG2      VAL  21  15.818   4.005  -3.156
  177   2HG2  VAL  21          2HG2      VAL  21  16.604   5.489  -2.618
  178   3HG2  VAL  21          3HG2      VAL  21  16.160   5.291  -4.314
  179    H    GLU  22           H        GLU  22  12.496   3.721  -1.328
  180    HA   GLU  22           HA       GLU  22  10.082   5.187  -1.741
  181   1HB   GLU  22          2HB       GLU  22  10.736   2.508  -1.403
  182   2HB   GLU  22          1HB       GLU  22   9.806   2.867   0.050
  183   1HG   GLU  22          2HG       GLU  22   8.227   2.166  -1.616
  184   2HG   GLU  22          1HG       GLU  22   8.054   3.915  -1.462
  185    H    MET  23           H        MET  23  12.267   5.259   0.788
  186    HA   MET  23           HA       MET  23  10.233   6.488   2.611
  187   1HB   MET  23          2HB       MET  23  12.646   4.860   3.461
  188   2HB   MET  23          1HB       MET  23  11.430   5.569   4.523
  189   1HG   MET  23          2HG       MET  23   9.695   4.153   3.487
  190   2HG   MET  23          1HG       MET  23  10.910   3.445   2.422
  191   1HE   MET  23          1HE       MET  23   9.875   4.367   5.796
  192   2HE   MET  23          2HE       MET  23  11.484   4.221   6.495
  193   3HE   MET  23          3HE       MET  23  10.256   3.016   6.871
  194    H    ALA  24           H        ALA  24  13.621   6.381   1.536
  195    HA   ALA  24           HA       ALA  24  14.285   8.806   3.037
  196   1HB   ALA  24          1HB       ALA  24  15.918   7.592   0.807
  197   2HB   ALA  24          2HB       ALA  24  15.894   6.894   2.426
  198   3HB   ALA  24          3HB       ALA  24  16.483   8.538   2.184
  199    H    LYS  25           H        LYS  25  12.452   8.343   0.346
  200    HA   LYS  25           HA       LYS  25  13.490  10.247  -1.500
  201   1HB   LYS  25          2HB       LYS  25  10.978  10.457  -2.184
  202   2HB   LYS  25          1HB       LYS  25  11.804   8.924  -2.411
  203   1HG   LYS  25          2HG       LYS  25  10.891   8.438   0.042
  204   2HG   LYS  25          1HG       LYS  25   9.711   9.669  -0.397
  205   1HD   LYS  25          2HD       LYS  25  10.294   7.391  -2.284
  206   2HD   LYS  25          1HD       LYS  25   9.186   7.162  -0.938
  207   1HE   LYS  25          2HE       LYS  25   7.576   8.489  -1.871
  208   2HE   LYS  25          1HE       LYS  25   8.748   9.624  -2.538
  209   1HZ   LYS  25          1HZ       LYS  25   9.126   8.282  -4.371
  210   2HZ   LYS  25          2HZ       LYS  25   7.448   8.139  -4.141
  211   3HZ   LYS  25          3HZ       LYS  25   8.488   6.896  -3.630
  212    H    ALA  26           H        ALA  26  10.623  11.708  -1.236
  213    HA   ALA  26           HA       ALA  26  11.665  13.748   0.699
  214   1HB   ALA  26          1HB       ALA  26  10.392  15.401  -0.741
  215   2HB   ALA  26          2HB       ALA  26  10.181  14.098  -1.912
  216   3HB   ALA  26          3HB       ALA  26  11.801  14.667  -1.508
  217    H    LEU  27           H        LEU  27   8.761  12.079  -0.495
  218    HA   LEU  27           HA       LEU  27   7.021  13.621   1.277
  219   1HB   LEU  27          2HB       LEU  27   5.242  12.491   0.306
  220   2HB   LEU  27          1HB       LEU  27   6.445  12.390  -0.974
  221    HG   LEU  27           HG       LEU  27   7.129  10.141   0.191
  222   1HD1  LEU  27          1HD1      LEU  27   5.888   9.659   2.029
  223   2HD1  LEU  27          2HD1      LEU  27   4.572   9.306   0.916
  224   3HD1  LEU  27          3HD1      LEU  27   4.694  10.899   1.656
  225   1HD2  LEU  27          1HD2      LEU  27   5.431   8.955  -1.194
  226   2HD2  LEU  27          2HD2      LEU  27   6.173  10.302  -2.059
  227   3HD2  LEU  27          3HD2      LEU  27   4.555  10.474  -1.381
  228    H    PHE  28           H        PHE  28   9.225  11.206   1.883
  229    HA   PHE  28           HA       PHE  28   7.658  10.212   4.239
  230   1HB   PHE  28          2HB       PHE  28   9.764   8.936   2.511
  231   2HB   PHE  28          1HB       PHE  28   9.532   8.382   4.167
  232    HD1  PHE  28           1HD      PHE  28   7.161   7.705   4.895
  233    HD2  PHE  28           2HD      PHE  28   8.306   8.240   0.795
  234    HE1  PHE  28           1HE      PHE  28   5.192   6.381   4.174
  235    HE2  PHE  28           2HE      PHE  28   6.339   6.916   0.069
  236    HZ   PHE  28           HZ       PHE  28   4.781   5.986   1.759
  237    H    ASP  29           H        ASP  29  11.058  10.838   3.278
  238    HA   ASP  29           HA       ASP  29  12.638  12.202   4.406
  239   1HB   ASP  29          2HB       ASP  29  10.468  13.220   5.537
  240   2HB   ASP  29          1HB       ASP  29  11.003  12.264   6.921
  241    H    CYS  30           H        CYS  30  12.776   9.431   4.285
  242    HA   CYS  30           HA       CYS  30  13.788   7.582   5.311
  243   1HB   CYS  30          2HB       CYS  30  15.116   9.975   6.549
  244   2HB   CYS  30          1HB       CYS  30  15.535   8.359   7.116
  245    H    LYS  31           H        LYS  31  11.435   7.320   6.298
  246    HA   LYS  31           HA       LYS  31  11.179   7.904   9.140
  247   1HB   LYS  31          2HB       LYS  31   9.617   5.853   7.551
  248   2HB   LYS  31          1HB       LYS  31   9.118   6.654   9.034
  249   1HG   LYS  31          2HG       LYS  31   9.579   8.007   6.363
  250   2HG   LYS  31          1HG       LYS  31   8.007   7.646   7.065
  251   1HD   LYS  31          2HD       LYS  31  10.091   9.569   8.134
  252   2HD   LYS  31          1HD       LYS  31   8.494   9.965   7.509
  253   1HE   LYS  31          2HE       LYS  31   7.636   8.372   9.406
  254   2HE   LYS  31          1HE       LYS  31   9.222   8.667  10.121
  255   1HZ   LYS  31          1HZ       LYS  31   8.308  10.507  10.935
  256   2HZ   LYS  31          2HZ       LYS  31   6.957  10.412   9.909
  257   3HZ   LYS  31          3HZ       LYS  31   8.395  11.136   9.362
  258    H    LYS  32           H        LYS  32  10.048   5.004   9.393
  259    HA   LYS  32           HA       LYS  32  12.608   3.513   9.660
  260   1HB   LYS  32          2HB       LYS  32  12.090   2.887  11.979
  261   2HB   LYS  32          1HB       LYS  32  12.236   4.638  11.838
  262   1HG   LYS  32          2HG       LYS  32   9.741   4.769  11.600
  263   2HG   LYS  32          1HG       LYS  32   9.663   3.036  11.926
  264   1HD   LYS  32          2HD       LYS  32  10.870   5.105  13.788
  265   2HD   LYS  32          1HD       LYS  32   9.277   4.374  13.981
  266   1HE   LYS  32          2HE       LYS  32  10.599   2.107  13.855
  267   2HE   LYS  32          1HE       LYS  32  11.987   3.107  14.287
  268   1HZ   LYS  32          1HZ       LYS  32  10.459   3.995  16.118
  269   2HZ   LYS  32          2HZ       LYS  32  11.131   2.447  16.318
  270   3HZ   LYS  32          3HZ       LYS  32   9.516   2.617  15.822
  271    H    THR  33           H        THR  33   9.082   3.547   9.652
  272    HA   THR  33           HA       THR  33   9.135   0.683   8.792
  273    HB   THR  33           HB       THR  33   8.334   0.789  11.126
  274    HG1  THR  33           1HG      THR  33   7.295  -0.750  10.009
  275   1HG2  THR  33          1HG2      THR  33   7.526   3.197  10.865
  276   2HG2  THR  33          2HG2      THR  33   6.465   2.122  11.775
  277   3HG2  THR  33          3HG2      THR  33   6.084   2.527  10.102
  278    H    ASN  34           H        ASN  34   7.836   0.276   7.001
  279    HA   ASN  34           HA       ASN  34   5.788   2.258   6.230
  280   1HB   ASN  34          2HB       ASN  34   8.135   2.930   5.317
  281   2HB   ASN  34          1HB       ASN  34   7.908   1.588   4.198
  282   1HD2  ASN  34          1HD2      ASN  34   7.928   4.527   3.582
  283   2HD2  ASN  34          2HD2      ASN  34   6.428   4.848   2.857
  284    H    THR  35           H        THR  35   4.349   1.452   4.610
  285    HA   THR  35           HA       THR  35   4.719  -1.392   3.801
  286    HB   THR  35           HB       THR  35   2.195  -0.269   5.053
  287    HG1  THR  35           1HG      THR  35   4.204  -2.031   5.978
  288   1HG2  THR  35          1HG2      THR  35   1.670  -1.927   3.370
  289   2HG2  THR  35          2HG2      THR  35   1.485  -2.676   4.956
  290   3HG2  THR  35          3HG2      THR  35   2.920  -3.009   3.986
  291    H    PHE  36           H        PHE  36   3.464  -1.956   1.900
  292    HA   PHE  36           HA       PHE  36   1.964   0.218   0.562
  293   1HB   PHE  36          2HB       PHE  36   4.049  -1.071  -1.149
  294   2HB   PHE  36          1HB       PHE  36   3.346   0.537  -1.262
  295    HD1  PHE  36           1HD      PHE  36   4.110   2.344   0.290
  296    HD2  PHE  36           2HD      PHE  36   6.029  -1.486   0.121
  297    HE1  PHE  36           1HE      PHE  36   6.111   3.295   1.400
  298    HE2  PHE  36           2HE      PHE  36   8.019  -0.546   1.241
  299    HZ   PHE  36           HZ       PHE  36   8.069   1.844   1.868
  300    H    ILE  37           H        ILE  37   1.248  -0.753  -1.739
  301    HA   ILE  37           HA       ILE  37   0.630  -3.657  -1.353
  302    HB   ILE  37           HB       ILE  37  -1.189  -1.575  -2.583
  303   1HG1  ILE  37          2HG1      ILE  37  -1.889  -2.911  -0.006
  304   2HG1  ILE  37          1HG1      ILE  37  -0.637  -1.679   0.080
  305   1HG2  ILE  37          1HG2      ILE  37  -2.876  -3.413  -2.323
  306   2HG2  ILE  37          2HG2      ILE  37  -1.565  -4.484  -1.828
  307   3HG2  ILE  37          3HG2      ILE  37  -1.580  -3.802  -3.455
  308   1HD1  ILE  37          1HD1      ILE  37  -3.121  -1.032  -1.454
  309   2HD1  ILE  37          2HD1      ILE  37  -2.073   0.027  -0.511
  310   3HD1  ILE  37          3HD1      ILE  37  -3.206  -1.043   0.307
  311    H    TYR  38           H        TYR  38   1.046  -4.947  -3.101
  312    HA   TYR  38           HA       TYR  38   2.051  -3.578  -5.565
  313   1HB   TYR  38          2HB       TYR  38   3.609  -5.182  -4.584
  314   2HB   TYR  38          1HB       TYR  38   2.372  -6.435  -4.595
  315    HD1  TYR  38           1HD      TYR  38   4.167  -4.075  -6.880
  316    HD2  TYR  38           2HD      TYR  38   2.160  -7.848  -6.452
  317    HE1  TYR  38           1HE      TYR  38   4.791  -4.671  -9.206
  318    HE2  TYR  38           2HE      TYR  38   2.783  -8.443  -8.778
  319    HH   TYR  38           HH       TYR  38   4.103  -6.136 -10.974
  320    H    ALA  39           H        ALA  39   0.205  -3.193  -6.792
  321    HA   ALA  39           HA       ALA  39  -1.088  -5.546  -7.963
  322   1HB   ALA  39          1HB       ALA  39  -2.370  -5.120  -5.834
  323   2HB   ALA  39          2HB       ALA  39  -3.349  -4.998  -7.296
  324   3HB   ALA  39          3HB       ALA  39  -2.801  -3.535  -6.477
  325    H    LEU  40           H        LEU  40  -2.403  -4.954  -9.831
  326    HA   LEU  40           HA       LEU  40  -1.381  -2.570 -11.159
  327   1HB   LEU  40          2HB       LEU  40  -2.123  -3.548 -13.107
  328   2HB   LEU  40          1HB       LEU  40  -2.048  -4.981 -12.090
  329    HG   LEU  40           HG       LEU  40  -4.558  -4.212 -11.500
  330   1HD1  LEU  40          1HD1      LEU  40  -5.655  -3.175 -13.328
  331   2HD1  LEU  40          2HD1      LEU  40  -4.279  -3.417 -14.400
  332   3HD1  LEU  40          3HD1      LEU  40  -4.190  -2.228 -13.105
  333   1HD2  LEU  40          1HD2      LEU  40  -3.729  -5.698 -14.014
  334   2HD2  LEU  40          2HD2      LEU  40  -5.313  -5.794 -13.246
  335   3HD2  LEU  40          3HD2      LEU  40  -3.888  -6.405 -12.406
  336    HA   PRO  41           HA       PRO  41  -4.437   0.350  -9.978
  337   1HB   PRO  41          2HB       PRO  41  -4.934   1.590 -12.443
  338   2HB   PRO  41          1HB       PRO  41  -3.621   1.997 -11.324
  339   1HG   PRO  41          2HG       PRO  41  -3.566   0.318 -13.774
  340   2HG   PRO  41          1HG       PRO  41  -2.336   1.416 -13.126
  341   1HD   PRO  41          2HD       PRO  41  -2.104  -1.266 -12.889
  342   2HD   PRO  41          1HD       PRO  41  -1.520  -0.165 -11.621
  343    H    GLY  42           H        GLY  42  -5.382  -0.940 -13.207
  344   1HA   GLY  42          2HA       GLY  42  -8.128  -0.530 -13.036
  345   2HA   GLY  42          1HA       GLY  42  -7.430  -1.923 -13.856
  346    H    ARG  43           H        ARG  43  -6.309  -3.282 -11.688
  347    HA   ARG  43           HA       ARG  43  -8.599  -4.621 -10.599
  348   1HB   ARG  43          2HB       ARG  43  -6.328  -5.656 -10.991
  349   2HB   ARG  43          1HB       ARG  43  -5.754  -4.770  -9.578
  350   1HG   ARG  43          2HG       ARG  43  -7.284  -5.914  -8.128
  351   2HG   ARG  43          1HG       ARG  43  -8.147  -6.621  -9.496
  352   1HD   ARG  43          2HD       ARG  43  -6.362  -8.059  -8.197
  353   2HD   ARG  43          1HD       ARG  43  -6.446  -8.148  -9.956
  354    HE   ARG  43           HE       ARG  43  -4.616  -6.080  -9.043
  355   1HH1  ARG  43          1HH2      ARG  43  -5.085  -9.440  -9.657
  356   2HH1  ARG  43          2HH2      ARG  43  -3.407  -9.757  -9.950
  357   1HH2  ARG  43          1HH1      ARG  43  -2.422  -6.474  -9.420
  358   2HH2  ARG  43          2HH1      ARG  43  -1.899  -8.078  -9.815
  359    H    VAL  44           H        VAL  44  -6.480  -2.070  -9.388
  360    HA   VAL  44           HA       VAL  44  -7.443  -2.232  -6.653
  361    HB   VAL  44           HB       VAL  44  -5.988  -0.045  -8.167
  362   1HG1  VAL  44          1HG1      VAL  44  -6.882  -0.255  -5.288
  363   2HG1  VAL  44          2HG1      VAL  44  -7.102   1.091  -6.408
  364   3HG1  VAL  44          3HG1      VAL  44  -5.502   0.739  -5.756
  365   1HG2  VAL  44          1HG2      VAL  44  -4.867  -2.303  -7.665
  366   2HG2  VAL  44          2HG2      VAL  44  -4.971  -1.853  -5.964
  367   3HG2  VAL  44          3HG2      VAL  44  -4.030  -0.865  -7.081
  368    H    LYS  45           H        LYS  45  -7.978   0.212  -9.223
  369    HA   LYS  45           HA       LYS  45 -10.116   1.521  -7.830
  370   1HB   LYS  45          2HB       LYS  45 -10.586   2.626  -9.940
  371   2HB   LYS  45          1HB       LYS  45  -8.836   2.498  -9.763
  372   1HG   LYS  45          2HG       LYS  45  -9.022   0.309 -11.089
  373   2HG   LYS  45          1HG       LYS  45 -10.658   0.824 -11.495
  374   1HD   LYS  45          2HD       LYS  45  -8.088   2.313 -12.100
  375   2HD   LYS  45          1HD       LYS  45  -9.168   1.552 -13.268
  376   1HE   LYS  45          2HE       LYS  45 -10.994   3.110 -12.318
  377   2HE   LYS  45          1HE       LYS  45  -9.665   4.009 -11.585
  378   1HZ   LYS  45          1HZ       LYS  45 -10.093   3.467 -14.470
  379   2HZ   LYS  45          2HZ       LYS  45  -8.660   4.129 -13.839
  380   3HZ   LYS  45          3HZ       LYS  45 -10.127   4.973 -13.689
  381    H    ALA  46           H        ALA  46  -9.933  -1.418  -9.609
  382    HA   ALA  46           HA       ALA  46 -12.709  -1.611 -10.387
  383   1HB   ALA  46          1HB       ALA  46 -12.077  -4.136 -10.445
  384   2HB   ALA  46          2HB       ALA  46 -10.447  -3.578 -10.083
  385   3HB   ALA  46          3HB       ALA  46 -11.250  -3.050 -11.561
  386    H    LEU  47           H        LEU  47 -10.843  -2.887  -7.617
  387    HA   LEU  47           HA       LEU  47 -13.024  -4.244  -6.373
  388   1HB   LEU  47          2HB       LEU  47 -10.336  -3.278  -5.549
  389   2HB   LEU  47          1HB       LEU  47 -11.492  -3.499  -4.237
  390    HG   LEU  47           HG       LEU  47 -11.948  -5.814  -5.136
  391   1HD1  LEU  47          1HD1      LEU  47 -10.989  -5.184  -7.441
  392   2HD1  LEU  47          2HD1      LEU  47 -10.537  -6.762  -6.797
  393   3HD1  LEU  47          3HD1      LEU  47  -9.400  -5.417  -6.711
  394   1HD2  LEU  47          1HD2      LEU  47  -9.092  -5.162  -4.345
  395   2HD2  LEU  47          2HD2      LEU  47  -9.831  -6.761  -4.254
  396   3HD2  LEU  47          3HD2      LEU  47 -10.431  -5.452  -3.234
  397    H    CYS  48           H        CYS  48 -12.293  -0.875  -6.658
  398    HA   CYS  48           HA       CYS  48 -14.049  -0.149  -4.391
  399   1HB   CYS  48          2HB       CYS  48 -12.146   1.299  -6.178
  400   2HB   CYS  48          1HB       CYS  48 -13.485   2.229  -5.508
  401    H    LYS  49           H        LYS  49 -14.230  -0.631  -7.802
  402    HA   LYS  49           HA       LYS  49 -16.429   1.131  -8.365
  403   1HB   LYS  49          2HB       LYS  49 -15.506   0.450 -10.353
  404   2HB   LYS  49          1HB       LYS  49 -15.027  -1.116  -9.706
  405   1HG   LYS  49          2HG       LYS  49 -17.211  -2.019  -9.994
  406   2HG   LYS  49          1HG       LYS  49 -17.914  -0.426 -10.266
  407   1HD   LYS  49          2HD       LYS  49 -17.739  -1.401 -12.429
  408   2HD   LYS  49          1HD       LYS  49 -16.390  -0.272 -12.326
  409   1HE   LYS  49          2HE       LYS  49 -15.724  -2.493 -13.258
  410   2HE   LYS  49          1HE       LYS  49 -14.856  -2.088 -11.779
  411   1HZ   LYS  49          1HZ       LYS  49 -16.027  -3.615 -10.563
  412   2HZ   LYS  49          2HZ       LYS  49 -15.952  -4.411 -12.062
  413   3HZ   LYS  49          3HZ       LYS  49 -17.370  -3.597 -11.599
  414    H    ASN  50           H        ASN  50 -18.666   0.637  -8.444
  415    HA   ASN  50           HA       ASN  50 -20.649  -0.518  -7.930
  416   1HB   ASN  50          2HB       ASN  50 -19.101  -2.553  -8.689
  417   2HB   ASN  50          1HB       ASN  50 -19.157  -2.933  -6.967
  418   1HD2  ASN  50          1HD2      ASN  50 -20.772  -4.456  -6.612
  419   2HD2  ASN  50          2HD2      ASN  50 -22.301  -4.447  -7.348
  420    H    ILE  51           H        ILE  51 -18.134   0.204  -5.832
  421    HA   ILE  51           HA       ILE  51 -19.463  -0.743  -3.386
  422    HB   ILE  51           HB       ILE  51 -17.068   1.075  -3.774
  423   1HG1  ILE  51          2HG1      ILE  51 -16.654  -1.180  -4.626
  424   2HG1  ILE  51          1HG1      ILE  51 -15.782  -0.958  -3.111
  425   1HG2  ILE  51          1HG2      ILE  51 -17.808   1.550  -1.606
  426   2HG2  ILE  51          2HG2      ILE  51 -16.663   0.238  -1.337
  427   3HG2  ILE  51          3HG2      ILE  51 -18.395  -0.092  -1.342
  428   1HD1  ILE  51          1HD1      ILE  51 -16.767  -3.022  -2.729
  429   2HD1  ILE  51          2HD1      ILE  51 -18.201  -2.633  -3.677
  430   3HD1  ILE  51          3HD1      ILE  51 -18.004  -1.961  -2.059
  431    H    ARG  52           H        ARG  52 -19.712   1.013  -1.605
  432    HA   ARG  52           HA       ARG  52 -21.392   3.176  -2.771
  433   1HB   ARG  52          2HB       ARG  52 -21.166   2.335   0.131
  434   2HB   ARG  52          1HB       ARG  52 -22.427   3.328  -0.601
  435   1HG   ARG  52          2HG       ARG  52 -21.870   0.432  -1.311
  436   2HG   ARG  52          1HG       ARG  52 -23.173   0.981  -0.259
  437   1HD   ARG  52          2HD       ARG  52 -23.841   2.501  -2.271
  438   2HD   ARG  52          1HD       ARG  52 -22.840   1.405  -3.222
  439    HE   ARG  52           HE       ARG  52 -24.576  -0.207  -1.686
  440   1HH1  ARG  52          1HH2      ARG  52 -24.687   2.226  -4.127
  441   2HH1  ARG  52          2HH2      ARG  52 -26.147   1.629  -4.842
  442   1HH2  ARG  52          1HH1      ARG  52 -26.482  -1.000  -2.607
  443   2HH2  ARG  52          2HH1      ARG  52 -27.164  -0.197  -3.982
  444    H    ASP  53           H        ASP  53 -21.259   4.843  -0.419
  445    HA   ASP  53           HA       ASP  53 -19.019   6.505  -1.093
  446   1HB   ASP  53          2HB       ASP  53 -19.694   7.864   0.790
  447   2HB   ASP  53          1HB       ASP  53 -21.150   7.294  -0.028
  448    H    ASN  54           H        ASN  54 -18.300   7.148   1.649
  449    HA   ASN  54           HA       ASN  54 -15.926   5.575   1.865
  450   1HB   ASN  54          2HB       ASN  54 -15.761   6.655   4.161
  451   2HB   ASN  54          1HB       ASN  54 -15.918   7.778   2.810
  452   1HD2  ASN  54          1HD2      ASN  54 -17.813   6.179   5.400
  453   2HD2  ASN  54          2HD2      ASN  54 -19.039   7.351   5.442
  454    H    THR  55           H        THR  55 -15.877   3.480   2.425
  455    HA   THR  55           HA       THR  55 -17.285   2.596   4.863
  456    HB   THR  55           HB       THR  55 -17.607   0.765   2.530
  457    HG1  THR  55           1HG      THR  55 -18.716   2.142   1.438
  458   1HG2  THR  55          1HG2      THR  55 -19.432   1.612   4.798
  459   2HG2  THR  55          2HG2      THR  55 -18.390   0.190   4.804
  460   3HG2  THR  55          3HG2      THR  55 -19.734   0.294   3.666
  461    H    ASP  56           H        ASP  56 -16.466   0.425   5.541
  462    HA   ASP  56           HA       ASP  56 -13.600   0.216   4.947
  463   1HB   ASP  56          2HB       ASP  56 -15.288  -1.570   6.719
  464   2HB   ASP  56          1HB       ASP  56 -13.534  -1.386   6.753
  465    H    VAL  57           H        VAL  57 -12.841  -1.032   3.318
  466    HA   VAL  57           HA       VAL  57 -14.566  -3.256   2.314
  467    HB   VAL  57           HB       VAL  57 -13.620  -2.958   0.199
  468   1HG1  VAL  57          1HG1      VAL  57 -14.893  -0.934   1.005
  469   2HG1  VAL  57          2HG1      VAL  57 -13.728  -0.590  -0.274
  470   3HG1  VAL  57          3HG1      VAL  57 -13.344  -0.188   1.399
  471   1HG2  VAL  57          1HG2      VAL  57 -11.274  -1.814   1.714
  472   2HG2  VAL  57          2HG2      VAL  57 -11.458  -1.515  -0.013
  473   3HG2  VAL  57          3HG2      VAL  57 -11.299  -3.166   0.586
  474    H    LEU  58           H        LEU  58 -13.320  -5.217   1.575
  475    HA   LEU  58           HA       LEU  58 -10.796  -5.671   3.086
  476   1HB   LEU  58          2HB       LEU  58 -13.190  -6.455   4.146
  477   2HB   LEU  58          1HB       LEU  58 -12.789  -7.879   3.193
  478    HG   LEU  58           HG       LEU  58 -11.923  -8.102   5.476
  479   1HD1  LEU  58          1HD1      LEU  58 -10.646  -8.927   3.414
  480   2HD1  LEU  58          2HD1      LEU  58  -9.730  -8.789   4.913
  481   3HD1  LEU  58          3HD1      LEU  58  -9.570  -7.551   3.666
  482   1HD2  LEU  58          1HD2      LEU  58 -10.835  -6.448   6.586
  483   2HD2  LEU  58          2HD2      LEU  58 -11.474  -5.380   5.339
  484   3HD2  LEU  58          3HD2      LEU  58  -9.844  -6.036   5.189
  485    H    SER  59           H        SER  59  -9.337  -6.836   1.812
  486    HA   SER  59           HA       SER  59  -9.939  -7.456  -0.881
  487   1HB   SER  59          2HB       SER  59  -7.689  -7.650  -0.808
  488   2HB   SER  59          1HB       SER  59  -7.706  -7.938   0.924
  489    HG   SER  59           HG       SER  59  -7.278  -9.674  -1.010
  490    H    ARG  60           H        ARG  60 -10.340  -9.510  -1.931
  491    HA   ARG  60           HA       ARG  60 -12.197 -11.158  -0.375
  492   1HB   ARG  60          2HB       ARG  60 -11.308 -11.392  -3.263
  493   2HB   ARG  60          1HB       ARG  60 -12.658 -12.255  -2.526
  494   1HG   ARG  60          2HG       ARG  60 -13.620  -9.976  -1.914
  495   2HG   ARG  60          1HG       ARG  60 -12.390  -9.274  -2.967
  496   1HD   ARG  60          2HD       ARG  60 -14.429 -11.348  -3.825
  497   2HD   ARG  60          1HD       ARG  60 -14.545  -9.620  -4.158
  498    HE   ARG  60           HE       ARG  60 -12.762 -11.517  -5.504
  499   1HH1  ARG  60          1HH2      ARG  60 -13.452  -8.255  -4.625
  500   2HH1  ARG  60          2HH2      ARG  60 -12.532  -7.571  -5.923
  501   1HH2  ARG  60          1HH1      ARG  60 -11.556 -10.641  -7.203
  502   2HH2  ARG  60          2HH1      ARG  60 -11.458  -8.922  -7.383
  503    H    ASP  61           H        ASP  61  -8.908 -11.274  -0.556
  504    HA   ASP  61           HA       ASP  61  -8.832 -14.000   0.400
  505   1HB   ASP  61          2HB       ASP  61  -9.118 -14.507  -1.986
  506   2HB   ASP  61          1HB       ASP  61  -7.735 -13.486  -2.380
  507    H    ALA  62           H        ALA  62  -6.249 -12.772  -1.632
  508    HA   ALA  62           HA       ALA  62  -4.846 -11.675   0.726
  509   1HB   ALA  62          1HB       ALA  62  -3.541 -13.817  -0.958
  510   2HB   ALA  62          2HB       ALA  62  -4.383 -14.179   0.549
  511   3HB   ALA  62          3HB       ALA  62  -2.963 -13.133   0.561
  512    H    PHE  63           H        PHE  63  -2.720 -10.694   0.062
  513    HA   PHE  63           HA       PHE  63  -2.390 -10.082  -2.791
  514   1HB   PHE  63          2HB       PHE  63  -3.399  -8.075  -0.782
  515   2HB   PHE  63          1HB       PHE  63  -2.392  -7.543  -2.129
  516    HD1  PHE  63           1HD      PHE  63  -5.636  -8.980  -1.157
  517    HD2  PHE  63           2HD      PHE  63  -3.167  -7.738  -4.445
  518    HE1  PHE  63           1HE      PHE  63  -7.604  -9.060  -2.666
  519    HE2  PHE  63           2HE      PHE  63  -5.134  -7.816  -5.952
  520    HZ   PHE  63           HZ       PHE  63  -7.352  -8.477  -5.063
  521    H    LEU  64           H        LEU  64  -0.239  -9.676  -3.200
  522    HA   LEU  64           HA       LEU  64   1.635  -9.939  -0.973
  523   1HB   LEU  64          2HB       LEU  64   1.906 -10.889  -3.349
  524   2HB   LEU  64          1HB       LEU  64   2.321  -9.249  -3.837
  525    HG   LEU  64           HG       LEU  64   3.729 -10.586  -1.522
  526   1HD1  LEU  64          1HD1      LEU  64   5.537 -11.097  -3.264
  527   2HD1  LEU  64          2HD1      LEU  64   4.286 -10.846  -4.481
  528   3HD1  LEU  64          3HD1      LEU  64   4.112 -12.135  -3.289
  529   1HD2  LEU  64          1HD2      LEU  64   5.571  -9.013  -2.493
  530   2HD2  LEU  64          2HD2      LEU  64   4.246  -8.283  -1.594
  531   3HD2  LEU  64          3HD2      LEU  64   4.243  -8.240  -3.357
  532    H    LEU  65           H        LEU  65   2.196  -8.182   0.245
  533    HA   LEU  65           HA       LEU  65   2.359  -5.551  -1.164
  534   1HB   LEU  65          2HB       LEU  65   2.129  -5.086   1.627
  535   2HB   LEU  65          1HB       LEU  65   0.975  -4.682   0.372
  536    HG   LEU  65           HG       LEU  65   1.054  -7.464   1.497
  537   1HD1  LEU  65          1HD1      LEU  65   0.891  -5.984   3.427
  538   2HD1  LEU  65          2HD1      LEU  65  -0.703  -6.667   3.103
  539   3HD1  LEU  65          3HD1      LEU  65  -0.337  -5.011   2.616
  540   1HD2  LEU  65          1HD2      LEU  65  -1.103  -5.691   0.285
  541   2HD2  LEU  65          2HD2      LEU  65  -1.338  -7.355   0.817
  542   3HD2  LEU  65          3HD2      LEU  65  -0.277  -7.007  -0.545
  543    HA   PRO  66           HA       PRO  66   6.614  -5.914   0.263
  544   1HB   PRO  66          2HB       PRO  66   7.516  -3.578  -0.848
  545   2HB   PRO  66          1HB       PRO  66   7.296  -5.072  -1.775
  546   1HG   PRO  66          2HG       PRO  66   5.600  -2.654  -1.672
  547   2HG   PRO  66          1HG       PRO  66   5.896  -3.767  -3.010
  548   1HD   PRO  66          2HD       PRO  66   3.605  -3.748  -1.441
  549   2HD   PRO  66          1HD       PRO  66   4.158  -5.124  -2.418
  550    H    GLN  67           H        GLN  67   7.725  -4.964   2.073
  551    HA   GLN  67           HA       GLN  67   6.642  -2.403   3.100
  552   1HB   GLN  67          2HB       GLN  67   6.441  -3.449   5.403
  553   2HB   GLN  67          1HB       GLN  67   5.229  -3.975   4.234
  554   1HG   GLN  67          2HG       GLN  67   6.290  -6.061   3.893
  555   2HG   GLN  67          1HG       GLN  67   7.801  -5.507   4.617
  556   1HE2  GLN  67          1HE2      GLN  67   4.331  -5.898   5.562
  557   2HE2  GLN  67          2HE2      GLN  67   4.673  -6.434   7.136
  558    H    CYS  68           H        CYS  68   8.036  -1.313   4.492
  559    HA   CYS  68           HA       CYS  68  10.862  -2.259   4.394
  560   1HB   CYS  68          2HB       CYS  68   9.905   0.449   5.325
  561   2HB   CYS  68          1HB       CYS  68  11.490   0.008   4.689
  562    H    ASP  69           H        ASP  69  11.989  -2.745   6.267
  563    HA   ASP  69           HA       ASP  69  10.627  -2.186   8.879
  564   1HB   ASP  69          2HB       ASP  69  10.342  -4.587   8.110
  565   2HB   ASP  69          1HB       ASP  69  12.093  -4.756   8.239
  566    H    ARG  70           H        ARG  70  12.019  -0.631   9.673
  567    HA   ARG  70           HA       ARG  70  14.889  -0.731   9.243
  568   1HB   ARG  70          2HB       ARG  70  13.511   1.363   9.678
  569   2HB   ARG  70          1HB       ARG  70  13.415   0.852  11.362
  570   1HG   ARG  70          2HG       ARG  70  16.005   0.675  11.228
  571   2HG   ARG  70          1HG       ARG  70  15.846   1.668   9.778
  572   1HD   ARG  70          2HD       ARG  70  16.174   3.211  11.564
  573   2HD   ARG  70          1HD       ARG  70  14.449   3.269  11.207
  574    HE   ARG  70           HE       ARG  70  14.971   1.308  13.246
  575   1HH1  ARG  70          1HH2      ARG  70  14.818   4.691  12.595
  576   2HH1  ARG  70          2HH2      ARG  70  14.387   5.118  14.217
  577   1HH2  ARG  70          1HH1      ARG  70  14.408   1.847  15.367
  578   2HH2  ARG  70          2HH1      ARG  70  14.154   3.508  15.787
  579    H    ILE  71           H        ILE  71  16.451  -1.608  10.576
  580    HA   ILE  71           HA       ILE  71  15.686  -2.528  13.291
  581    HB   ILE  71           HB       ILE  71  16.973  -4.406  11.290
  582   1HG1  ILE  71          2HG1      ILE  71  14.087  -4.164  12.193
  583   2HG1  ILE  71          1HG1      ILE  71  14.700  -4.005  10.548
  584   1HG2  ILE  71          1HG2      ILE  71  16.681  -6.069  12.977
  585   2HG2  ILE  71          2HG2      ILE  71  15.638  -5.018  13.933
  586   3HG2  ILE  71          3HG2      ILE  71  17.361  -4.669  13.805
  587   1HD1  ILE  71          1HD1      ILE  71  13.827  -6.217  10.678
  588   2HD1  ILE  71          2HD1      ILE  71  14.575  -6.499  12.250
  589   3HD1  ILE  71          3HD1      ILE  71  15.577  -6.400  10.803
  590    H    LYS  72           H        LYS  72  18.187  -2.073  10.831
  591    HA   LYS  72           HA       LYS  72  20.132  -1.506  13.033
  592   1HB   LYS  72          2HB       LYS  72  20.388  -3.784  11.759
  593   2HB   LYS  72          1HB       LYS  72  21.005  -2.785  10.447
  594   1HG   LYS  72          2HG       LYS  72  22.976  -3.246  11.596
  595   2HG   LYS  72          1HG       LYS  72  22.501  -1.733  12.362
  596   1HD   LYS  72          2HD       LYS  72  22.897  -3.040  14.241
  597   2HD   LYS  72          1HD       LYS  72  21.178  -3.351  14.001
  598   1HE   LYS  72          2HE       LYS  72  22.149  -5.499  14.288
  599   2HE   LYS  72          1HE       LYS  72  21.910  -5.343  12.547
  600   1HZ   LYS  72          1HZ       LYS  72  24.095  -6.149  12.907
  601   2HZ   LYS  72          2HZ       LYS  72  24.430  -4.948  14.062
  602   3HZ   LYS  72          3HZ       LYS  72  24.243  -4.530  12.426
  603    H    LEU  73           H        LEU  73  21.943  -0.075  12.264
  604    HA   LEU  73           HA       LEU  73  22.613   1.936  11.263
  605   1HB   LEU  73          2HB       LEU  73  21.173   1.065   8.767
  606   2HB   LEU  73          1HB       LEU  73  22.711   1.906   8.915
  607    HG   LEU  73           HG       LEU  73  22.182  -0.990   9.609
  608   1HD1  LEU  73          1HD1      LEU  73  23.913   0.336   7.503
  609   2HD1  LEU  73          2HD1      LEU  73  22.410  -0.536   7.202
  610   3HD1  LEU  73          3HD1      LEU  73  23.825  -1.400   7.805
  611   1HD2  LEU  73          1HD2      LEU  73  23.749  -0.128  11.220
  612   2HD2  LEU  73          2HD2      LEU  73  24.612   0.778   9.979
  613   3HD2  LEU  73          3HD2      LEU  73  24.694  -0.983  10.002
  614    HA   PRO  74           HA       PRO  74  19.071   4.596  11.303
  615   1HB   PRO  74          2HB       PRO  74  19.811   6.760   9.863
  616   2HB   PRO  74          1HB       PRO  74  20.634   6.289  11.360
  617   1HG   PRO  74          2HG       PRO  74  21.541   6.044   8.565
  618   2HG   PRO  74          1HG       PRO  74  22.487   6.185  10.055
  619   1HD   PRO  74          2HD       PRO  74  21.883   3.790   8.593
  620   2HD   PRO  74          1HD       PRO  74  22.767   3.920  10.130
  621    H    CYS  75           H        CYS  75  19.469   6.124   8.288
  622    HA   CYS  75           HA       CYS  75  16.806   5.542   7.459
  623   1HB   CYS  75          2HB       CYS  75  18.113   7.553   6.799
  624   2HB   CYS  75          1HB       CYS  75  19.097   6.530   5.754
  625    H    HIS  76           H        HIS  76  18.455   3.095   7.859
  626    HA   HIS  76           HA       HIS  76  18.372   1.970   5.085
  627   1HB   HIS  76          2HB       HIS  76  20.452   1.806   6.741
  628   2HB   HIS  76          1HB       HIS  76  19.528   0.455   7.402
  629    HD1  HIS  76           1HD      HIS  76  21.237   1.614   4.243
  630    HD2  HIS  76           2HD      HIS  76  19.383  -1.819   5.723
  631    HE1  HIS  76           1HE      HIS  76  21.732  -0.241   2.587
  632    HE2  HIS  76           2HE      HIS  76  20.609  -2.333   3.479
  633    H    TYR  77           H        TYR  77  17.101   0.073   4.725
  634    HA   TYR  77           HA       TYR  77  15.403  -0.808   7.018
  635   1HB   TYR  77          2HB       TYR  77  14.199  -0.417   4.290
  636   2HB   TYR  77          1HB       TYR  77  13.399  -0.480   5.862
  637    HD1  TYR  77           1HD      TYR  77  13.391   1.443   7.358
  638    HD2  TYR  77           2HD      TYR  77  15.354   1.609   3.543
  639    HE1  TYR  77           1HE      TYR  77  13.555   3.907   7.552
  640    HE2  TYR  77           2HE      TYR  77  15.518   4.078   3.733
  641    HH   TYR  77           HH       TYR  77  14.847   5.733   6.679
  642    H    LYS  78           H        LYS  78  14.216  -2.853   6.496
  643    HA   LYS  78           HA       LYS  78  15.937  -4.629   4.817
  644   1HB   LYS  78          2HB       LYS  78  13.994  -5.375   7.026
  645   2HB   LYS  78          1HB       LYS  78  15.099  -6.466   6.194
  646   1HG   LYS  78          2HG       LYS  78  16.110  -4.030   7.667
  647   2HG   LYS  78          1HG       LYS  78  15.838  -5.558   8.500
  648   1HD   LYS  78          2HD       LYS  78  17.311  -6.654   6.741
  649   2HD   LYS  78          1HD       LYS  78  17.734  -5.028   6.200
  650   1HE   LYS  78          2HE       LYS  78  18.230  -6.247   8.925
  651   2HE   LYS  78          1HE       LYS  78  19.433  -5.698   7.759
  652   1HZ   LYS  78          1HZ       LYS  78  19.024  -4.110   9.586
  653   2HZ   LYS  78          2HZ       LYS  78  17.423  -3.931   9.045
  654   3HZ   LYS  78          3HZ       LYS  78  18.717  -3.453   8.053
  655    H    LEU  79           H        LEU  79  14.893  -6.086   3.368
  656    HA   LEU  79           HA       LEU  79  12.313  -5.089   2.356
  657   1HB   LEU  79          2HB       LEU  79  14.460  -5.867   1.005
  658   2HB   LEU  79          1HB       LEU  79  13.742  -7.463   1.196
  659    HG   LEU  79           HG       LEU  79  12.964  -6.538  -0.899
  660   1HD1  LEU  79          1HD1      LEU  79  11.342  -7.740   0.683
  661   2HD1  LEU  79          2HD1      LEU  79  10.620  -6.774  -0.602
  662   3HD1  LEU  79          3HD1      LEU  79  10.684  -6.144   1.042
  663   1HD2  LEU  79          1HD2      LEU  79  12.263  -4.371  -1.220
  664   2HD2  LEU  79          2HD2      LEU  79  13.292  -4.084   0.181
  665   3HD2  LEU  79          3HD2      LEU  79  11.548  -4.245   0.386
  666    H    SER  80           H        SER  80  10.449  -5.937   3.110
  667    HA   SER  80           HA       SER  80  10.330  -8.861   3.686
  668   1HB   SER  80          2HB       SER  80  10.471  -8.113   5.896
  669   2HB   SER  80          1HB       SER  80   9.668  -6.588   5.536
  670    HG   SER  80           HG       SER  80   8.612  -8.886   6.402
  671    H    SER  81           H        SER  81   8.202  -9.747   3.340
  672    HA   SER  81           HA       SER  81   5.968  -8.039   2.624
  673   1HB   SER  81          2HB       SER  81   7.010  -9.653   0.310
  674   2HB   SER  81          1HB       SER  81   5.922  -8.267   0.298
  675    HG   SER  81           HG       SER  81   8.669  -8.380   0.314
  676    H    SER  82           H        SER  82   4.067  -9.346   1.970
  677    HA   SER  82           HA       SER  82   4.225 -12.250   2.066
  678   1HB   SER  82          2HB       SER  82   2.766 -12.412   4.139
  679   2HB   SER  82          1HB       SER  82   4.431 -11.926   4.442
  680    HG   SER  82           HG       SER  82   2.249 -10.140   4.093
  681    H    THR  83           H        THR  83   1.996 -13.206   1.923
  682    HA   THR  83           HA       THR  83   0.227 -11.347   0.431
  683    HB   THR  83           HB       THR  83  -0.673 -13.871  -0.085
  684    HG1  THR  83           1HG      THR  83   1.380 -14.371   1.244
  685   1HG2  THR  83          1HG2      THR  83   0.667 -13.701  -2.169
  686   2HG2  THR  83          2HG2      THR  83   1.601 -12.400  -1.431
  687   3HG2  THR  83          3HG2      THR  83  -0.117 -12.175  -1.761
  688    H    ASN  84           H        ASN  84  -1.533 -10.673   1.536
  689    HA   ASN  84           HA       ASN  84  -3.164 -12.582   3.042
  690   1HB   ASN  84          2HB       ASN  84  -3.064 -11.318   5.172
  691   2HB   ASN  84          1HB       ASN  84  -1.488 -11.986   4.746
  692   1HD2  ASN  84          1HD2      ASN  84  -0.527 -10.211   6.099
  693   2HD2  ASN  84          2HD2      ASN  84  -0.387  -8.651   5.444
  694    H    THR  85           H        THR  85  -5.219 -11.504   3.796
  695    HA   THR  85           HA       THR  85  -6.244  -9.756   1.781
  696    HB   THR  85           HB       THR  85  -7.729  -9.654   4.298
  697    HG1  THR  85           1HG      THR  85  -8.078 -11.933   4.350
  698   1HG2  THR  85          1HG2      THR  85  -8.812  -9.327   2.166
  699   2HG2  THR  85          2HG2      THR  85  -9.427 -10.825   2.854
  700   3HG2  THR  85          3HG2      THR  85  -8.221 -10.875   1.571
  701    H    ILE  86           H        ILE  86  -7.319  -7.564   2.486
  702    HA   ILE  86           HA       ILE  86  -5.637  -6.105   4.454
  703    HB   ILE  86           HB       ILE  86  -4.921  -4.459   2.891
  704   1HG1  ILE  86          2HG1      ILE  86  -6.870  -5.756   0.954
  705   2HG1  ILE  86          1HG1      ILE  86  -7.009  -4.147   1.654
  706   1HG2  ILE  86          1HG2      ILE  86  -3.669  -5.754   1.276
  707   2HG2  ILE  86          2HG2      ILE  86  -4.826  -7.080   1.374
  708   3HG2  ILE  86          3HG2      ILE  86  -3.789  -6.710   2.752
  709   1HD1  ILE  86          1HD1      ILE  86  -6.115  -3.790  -0.517
  710   2HD1  ILE  86          2HD1      ILE  86  -4.981  -5.131  -0.353
  711   3HD1  ILE  86          3HD1      ILE  86  -4.736  -3.651   0.573
  712    H    CYS  87           H        CYS  87  -6.627  -4.179   5.234
  713    HA   CYS  87           HA       CYS  87  -9.513  -3.884   4.507
  714   1HB   CYS  87          2HB       CYS  87  -9.398  -4.536   6.797
  715   2HB   CYS  87          1HB       CYS  87  -8.017  -3.494   7.106
  716    H    ILE  88           H        ILE  88 -10.082  -1.927   3.659
  717    HA   ILE  88           HA       ILE  88  -8.465   0.469   4.269
  718    HB   ILE  88           HB       ILE  88  -7.209   0.369   2.391
  719   1HG1  ILE  88          2HG1      ILE  88  -9.801   0.358   0.807
  720   2HG1  ILE  88          1HG1      ILE  88  -9.071   1.807   1.496
  721   1HG2  ILE  88          1HG2      ILE  88  -7.624  -1.441   0.662
  722   2HG2  ILE  88          2HG2      ILE  88  -8.994  -1.954   1.642
  723   3HG2  ILE  88          3HG2      ILE  88  -7.363  -2.011   2.307
  724   1HD1  ILE  88          1HD1      ILE  88  -7.623   1.972  -0.212
  725   2HD1  ILE  88          2HD1      ILE  88  -8.495   0.662  -1.006
  726   3HD1  ILE  88          3HD1      ILE  88  -7.094   0.303   0.001
  727    H    THR  89           H        THR  89  -9.569   2.465   3.542
  728    HA   THR  89           HA       THR  89 -12.506   1.983   3.333
  729    HB   THR  89           HB       THR  89 -10.829   4.059   4.610
  730    HG1  THR  89           1HG      THR  89 -13.507   3.479   5.155
  731   1HG2  THR  89          1HG2      THR  89 -11.813   5.530   2.989
  732   2HG2  THR  89          2HG2      THR  89 -12.764   5.708   4.463
  733   3HG2  THR  89          3HG2      THR  89 -13.381   4.733   3.130
  734    H    CYS  90           H        CYS  90 -13.632   2.647   1.579
  735    HA   CYS  90           HA       CYS  90 -12.212   4.247  -0.512
  736   1HB   CYS  90          2HB       CYS  90 -12.289   1.746  -0.985
  737   2HB   CYS  90          1HB       CYS  90 -14.042   1.902  -1.077
  738    H    VAL  91           H        VAL  91 -13.538   5.717  -1.614
  739    HA   VAL  91           HA       VAL  91 -16.101   6.331  -0.331
  740    HB   VAL  91           HB       VAL  91 -16.081   8.318  -1.783
  741   1HG1  VAL  91          1HG1      VAL  91 -14.004   9.325  -0.933
  742   2HG1  VAL  91          2HG1      VAL  91 -13.361   7.721  -0.577
  743   3HG1  VAL  91          3HG1      VAL  91 -14.758   8.328   0.312
  744   1HG2  VAL  91          1HG2      VAL  91 -13.784   6.825  -3.054
  745   2HG2  VAL  91          2HG2      VAL  91 -13.931   8.577  -3.204
  746   3HG2  VAL  91          3HG2      VAL  91 -15.199   7.529  -3.838
  747    H    ASN  92           H        ASN  92 -17.158   7.456  -2.910
  748    HA   ASN  92           HA       ASN  92 -18.990   5.514  -3.626
  749   1HB   ASN  92          2HB       ASN  92 -17.754   7.612  -5.411
  750   2HB   ASN  92          1HB       ASN  92 -19.222   6.715  -5.797
  751   1HD2  ASN  92          1HD2      ASN  92 -19.897   9.235  -5.731
  752   2HD2  ASN  92          2HD2      ASN  92 -20.533   9.751  -4.244
  753    H    GLN  93           H        GLN  93 -15.831   6.013  -5.044
  754    HA   GLN  93           HA       GLN  93 -15.516   3.225  -5.682
  755   1HB   GLN  93          2HB       GLN  93 -15.556   3.422  -8.157
  756   2HB   GLN  93          1HB       GLN  93 -17.139   3.733  -7.443
  757   1HG   GLN  93          2HG       GLN  93 -16.482   6.218  -7.467
  758   2HG   GLN  93          1HG       GLN  93 -15.161   5.740  -8.533
  759   1HE2  GLN  93          1HE2      GLN  93 -18.584   6.357  -8.381
  760   2HE2  GLN  93          2HE2      GLN  93 -18.933   5.976  -9.998
  761    H    LEU  94           H        LEU  94 -13.891   5.041  -4.363
  762    HA   LEU  94           HA       LEU  94 -11.476   4.954  -6.061
  763   1HB   LEU  94          2HB       LEU  94 -12.642   7.495  -4.904
  764   2HB   LEU  94          1HB       LEU  94 -10.927   7.348  -5.274
  765    HG   LEU  94           HG       LEU  94 -12.060   6.420  -7.608
  766   1HD1  LEU  94          1HD1      LEU  94 -13.728   8.819  -6.850
  767   2HD1  LEU  94          2HD1      LEU  94 -14.305   7.180  -6.558
  768   3HD1  LEU  94          3HD1      LEU  94 -13.949   7.708  -8.201
  769   1HD2  LEU  94          1HD2      LEU  94 -10.263   8.004  -7.605
  770   2HD2  LEU  94          2HD2      LEU  94 -11.242   9.213  -6.774
  771   3HD2  LEU  94          3HD2      LEU  94 -11.601   8.785  -8.447
  772    HA   PRO  95           HA       PRO  95 -10.394   3.735  -1.828
  773   1HB   PRO  95          2HB       PRO  95  -8.006   2.555  -2.416
  774   2HB   PRO  95          1HB       PRO  95  -9.566   1.765  -2.714
  775   1HG   PRO  95          2HG       PRO  95  -7.735   3.114  -4.622
  776   2HG   PRO  95          1HG       PRO  95  -8.747   1.679  -4.848
  777   1HD   PRO  95          2HD       PRO  95  -9.398   4.221  -5.760
  778   2HD   PRO  95          1HD       PRO  95 -10.578   2.923  -5.475
  779    H    ILE  96           H        ILE  96  -9.397   5.062  -0.315
  780    HA   ILE  96           HA       ILE  96  -6.938   6.511  -1.144
  781    HB   ILE  96           HB       ILE  96  -7.829   8.655  -0.374
  782   1HG1  ILE  96          2HG1      ILE  96 -10.420   8.671  -0.046
  783   2HG1  ILE  96          1HG1      ILE  96 -10.236   6.949   0.275
  784   1HG2  ILE  96          1HG2      ILE  96  -8.203   7.724  -2.752
  785   2HG2  ILE  96          2HG2      ILE  96  -9.189   9.098  -2.257
  786   3HG2  ILE  96          3HG2      ILE  96  -9.874   7.473  -2.252
  787   1HD1  ILE  96          1HD1      ILE  96  -8.316   8.650   1.740
  788   2HD1  ILE  96          2HD1      ILE  96  -9.307   7.312   2.312
  789   3HD1  ILE  96          3HD1      ILE  96 -10.003   8.922   2.169
  790    H    HIS  97           H        HIS  97  -8.571   4.748   1.293
  791    HA   HIS  97           HA       HIS  97  -6.646   5.880   3.307
  792   1HB   HIS  97          2HB       HIS  97  -9.527   5.343   3.465
  793   2HB   HIS  97          1HB       HIS  97  -8.619   4.623   4.794
  794    HD1  HIS  97           1HD      HIS  97  -6.424   6.794   5.113
  795    HD2  HIS  97           2HD      HIS  97 -10.491   7.638   4.724
  796    HE1  HIS  97           1HE      HIS  97  -6.779   9.095   6.116
  797    HE2  HIS  97           2HE      HIS  97  -9.250   9.617   5.884
  798    H    PHE  98           H        PHE  98  -5.327   4.454   4.332
  799    HA   PHE  98           HA       PHE  98  -5.578   1.573   3.573
  800   1HB   PHE  98          2HB       PHE  98  -3.447   2.706   2.966
  801   2HB   PHE  98          1HB       PHE  98  -3.187   3.092   4.667
  802    HD1  PHE  98           1HD      PHE  98  -3.796   0.205   2.363
  803    HD2  PHE  98           2HD      PHE  98  -2.109   1.549   6.077
  804    HE1  PHE  98           1HE      PHE  98  -2.792  -2.035   2.718
  805    HE2  PHE  98           2HE      PHE  98  -1.104  -0.690   6.431
  806    HZ   PHE  98           HZ       PHE  98  -1.445  -2.482   4.751
  807    H    ALA  99           H        ALA  99  -6.831   0.651   5.176
  808    HA   ALA  99           HA       ALA  99  -6.955   1.478   7.884
  809   1HB   ALA  99          1HB       ALA  99  -8.405  -0.241   6.502
  810   2HB   ALA  99          2HB       ALA  99  -8.246  -0.429   8.247
  811   3HB   ALA  99          3HB       ALA  99  -7.272  -1.419   7.165
  812    H    GLY 100           H        GLY 100  -5.481  -1.639   6.932
  813   1HA   GLY 100          2HA       GLY 100  -2.920  -1.042   8.121
  814   2HA   GLY 100          1HA       GLY 100  -3.922  -1.975   9.234
  815    H    VAL 101           H        VAL 101  -2.314  -3.714   8.970
  816    HA   VAL 101           HA       VAL 101  -2.255  -5.026   6.312
  817    HB   VAL 101           HB       VAL 101  -0.142  -4.813   7.572
  818   1HG1  VAL 101          1HG1      VAL 101  -1.280  -4.939   9.833
  819   2HG1  VAL 101          2HG1      VAL 101   0.177  -5.922   9.687
  820   3HG1  VAL 101          3HG1      VAL 101  -1.412  -6.682   9.592
  821   1HG2  VAL 101          1HG2      VAL 101  -1.064  -7.701   7.519
  822   2HG2  VAL 101          2HG2      VAL 101   0.583  -7.104   7.323
  823   3HG2  VAL 101          3HG2      VAL 101  -0.622  -6.797   6.072
  824    H    GLY 102           H        GLY 102  -3.129  -7.090   5.949
  825   1HA   GLY 102          2HA       GLY 102  -4.473  -8.981   6.346
  826   2HA   GLY 102          1HA       GLY 102  -4.254  -8.705   8.074
  827    H    SER 103           H        SER 103  -6.680  -9.409   7.803
  828    HA   SER 103           HA       SER 103  -8.571  -7.513   6.769
  829   1HB   SER 103          2HB       SER 103  -8.923  -9.609   8.932
  830   2HB   SER 103          1HB       SER 103 -10.231  -8.773   8.102
  831    HG   SER 103           HG       SER 103  -9.886 -10.690   7.041
  832    H    CYS 104           H        CYS 104  -9.788  -5.924   7.881
  833    HA   CYS 104           HA       CYS 104  -8.479  -4.319   9.764
  834   1HB   CYS 104          2HB       CYS 104 -11.119  -4.458   8.587
  835   2HB   CYS 104          1HB       CYS 104 -11.254  -4.031  10.291
  836    HA   PRO 105           HA       PRO 105  -8.608  -5.924  13.858
  837   1HB   PRO 105          2HB       PRO 105 -10.776  -3.940  14.480
  838   2HB   PRO 105          1HB       PRO 105  -9.294  -4.310  15.386
  839   1HG   PRO 105          2HG       PRO 105  -9.496  -2.138  13.836
  840   2HG   PRO 105          1HG       PRO 105  -7.975  -3.025  14.021
  841   1HD   PRO 105          2HD       PRO 105  -9.762  -2.872  11.665
  842   2HD   PRO 105          1HD       PRO 105  -8.042  -3.308  11.748
  Start of MODEL   18
    1    HN   PCA   1           H        PCA   1  -6.616   8.731   1.319
    2    HA   PCA   1           HA       PCA   1  -8.143  10.725   2.027
    3   1HB   PCA   1          1HB       PCA   1  -6.913  12.042   3.416
    4   2HB   PCA   1          2HB       PCA   1  -6.192  12.708   1.970
    5   1HG   PCA   1          1HG       PCA   1  -4.942  11.283   3.846
    6   2HG   PCA   1          2HG       PCA   1  -4.416  11.462   2.156
    7    H    ASP   2           H        ASP   2  -6.242   9.597  -0.377
    8    HA   ASP   2           HA       ASP   2  -7.691  11.038  -2.397
    9   1HB   ASP   2          2HB       ASP   2  -5.001  12.058  -1.587
   10   2HB   ASP   2          1HB       ASP   2  -5.341  11.987  -3.315
   11    H    TRP   3           H        TRP   3  -7.828   9.542  -3.989
   12    HA   TRP   3           HA       TRP   3  -6.466   7.108  -4.062
   13   1HB   TRP   3          2HB       TRP   3  -8.374   7.262  -5.420
   14   2HB   TRP   3          1HB       TRP   3  -7.827   8.753  -6.176
   15    HD1  TRP   3           HD       TRP   3  -7.703   8.103  -8.628
   16    HE1  TRP   3           1HE      TRP   3  -6.417   6.340  -9.994
   17    HE3  TRP   3           3HE      TRP   3  -5.745   5.270  -4.834
   18    HZ2  TRP   3           2HZ      TRP   3  -4.789   4.042  -9.550
   19    HZ3  TRP   3           3HZ      TRP   3  -4.339   3.307  -5.347
   20    HH2  TRP   3           HH       TRP   3  -3.856   2.686  -7.697
   21    H    GLU   4           H        GLU   4  -5.452  10.216  -5.397
   22    HA   GLU   4           HA       GLU   4  -3.290   9.265  -6.999
   23   1HB   GLU   4          2HB       GLU   4  -4.184  11.624  -6.982
   24   2HB   GLU   4          1HB       GLU   4  -3.365  11.863  -5.437
   25   1HG   GLU   4          2HG       GLU   4  -1.206  11.274  -6.507
   26   2HG   GLU   4          1HG       GLU   4  -2.036  11.098  -8.053
   27    H    THR   5           H        THR   5  -2.711  11.015  -3.938
   28    HA   THR   5           HA       THR   5  -0.166   9.927  -3.483
   29    HB   THR   5           HB       THR   5  -1.169  11.784  -2.160
   30    HG1  THR   5           1HG      THR   5   0.531  10.077  -1.428
   31   1HG2  THR   5          1HG2      THR   5  -3.366  10.448  -1.861
   32   2HG2  THR   5          2HG2      THR   5  -2.798  11.413  -0.499
   33   3HG2  THR   5          3HG2      THR   5  -2.540   9.669  -0.513
   34    H    PHE   6           H        PHE   6  -3.317   8.681  -2.308
   35    HA   PHE   6           HA       PHE   6  -2.396   6.444  -0.896
   36   1HB   PHE   6          2HB       PHE   6  -4.828   7.266  -1.355
   37   2HB   PHE   6          1HB       PHE   6  -4.744   6.226  -2.777
   38    HD1  PHE   6           1HD      PHE   6  -5.045   3.885  -2.585
   39    HD2  PHE   6           2HD      PHE   6  -4.287   6.244   0.923
   40    HE1  PHE   6           1HE      PHE   6  -5.513   1.911  -1.158
   41    HE2  PHE   6           2HE      PHE   6  -4.755   4.275   2.348
   42    HZ   PHE   6           HZ       PHE   6  -5.369   2.106   1.311
   43    H    GLN   7           H        GLN   7  -2.279   7.105  -4.296
   44    HA   GLN   7           HA       GLN   7  -1.688   4.292  -4.973
   45   1HB   GLN   7          2HB       GLN   7  -3.030   5.820  -6.496
   46   2HB   GLN   7          1HB       GLN   7  -1.543   6.720  -6.781
   47   1HG   GLN   7          2HG       GLN   7  -1.644   3.735  -7.195
   48   2HG   GLN   7          1HG       GLN   7  -2.174   4.845  -8.459
   49   1HE2  GLN   7          1HE2      GLN   7  -0.358   6.905  -8.373
   50   2HE2  GLN   7          2HE2      GLN   7   1.220   6.334  -8.625
   51    H    LYS   8           H        LYS   8  -0.077   7.219  -4.134
   52    HA   LYS   8           HA       LYS   8   2.492   6.365  -5.315
   53   1HB   LYS   8          2HB       LYS   8   1.961   8.723  -3.496
   54   2HB   LYS   8          1HB       LYS   8   3.330   8.495  -4.583
   55   1HG   LYS   8          2HG       LYS   8   0.532   8.488  -5.701
   56   2HG   LYS   8          1HG       LYS   8   1.320  10.019  -5.334
   57   1HD   LYS   8          2HD       LYS   8   3.217   9.410  -6.772
   58   2HD   LYS   8          1HD       LYS   8   2.465   7.853  -7.120
   59   1HE   LYS   8          2HE       LYS   8   0.501   9.057  -8.078
   60   2HE   LYS   8          1HE       LYS   8   1.347  10.583  -7.819
   61   1HZ   LYS   8          1HZ       LYS   8   2.507   8.359  -9.393
   62   2HZ   LYS   8          2HZ       LYS   8   3.022   9.978  -9.331
   63   3HZ   LYS   8          3HZ       LYS   8   1.559   9.577 -10.096
   64    H    LYS   9           H        LYS   9   1.256   7.030  -1.999
   65    HA   LYS   9           HA       LYS   9   3.696   5.810  -0.882
   66   1HB   LYS   9          2HB       LYS   9   2.501   6.387   1.327
   67   2HB   LYS   9          1HB       LYS   9   3.019   7.726   0.304
   68   1HG   LYS   9          2HG       LYS   9   0.833   8.165  -0.448
   69   2HG   LYS   9          1HG       LYS   9   0.250   6.567   0.021
   70   1HD   LYS   9          2HD       LYS   9   0.406   7.128   2.370
   71   2HD   LYS   9          1HD       LYS   9   1.197   8.660   1.997
   72   1HE   LYS   9          2HE       LYS   9  -0.767   9.625   1.168
   73   2HE   LYS   9          1HE       LYS   9  -1.514   8.061   0.840
   74   1HZ   LYS   9          1HZ       LYS   9  -1.106   7.958   3.496
   75   2HZ   LYS   9          2HZ       LYS   9  -2.566   8.422   2.761
   76   3HZ   LYS   9          3HZ       LYS   9  -1.459   9.602   3.277
   77    H    HIS  10           H        HIS  10   0.190   5.028  -0.922
   78    HA   HIS  10           HA       HIS  10   0.700   2.624   0.690
   79   1HB   HIS  10          2HB       HIS  10  -1.763   3.824  -0.556
   80   2HB   HIS  10          1HB       HIS  10  -1.791   2.199   0.126
   81    HD1  HIS  10           1HD      HIS  10  -0.958   2.047   2.715
   82    HD2  HIS  10           2HD      HIS  10  -2.015   5.839   1.339
   83    HE1  HIS  10           1HE      HIS  10  -1.321   3.482   4.773
   84    HE2  HIS  10           2HE      HIS  10  -1.964   5.792   3.946
   85    H    LEU  11           H        LEU  11   1.046   3.295  -2.611
   86    HA   LEU  11           HA       LEU  11   1.004   0.367  -3.151
   87   1HB   LEU  11          2HB       LEU  11  -0.514   2.472  -4.676
   88   2HB   LEU  11          1HB       LEU  11  -0.036   0.959  -5.436
   89    HG   LEU  11           HG       LEU  11  -1.110   0.076  -3.061
   90   1HD1  LEU  11          1HD1      LEU  11  -2.705   2.471  -3.992
   91   2HD1  LEU  11          2HD1      LEU  11  -1.959   2.246  -2.412
   92   3HD1  LEU  11          3HD1      LEU  11  -3.322   1.239  -2.895
   93   1HD2  LEU  11          1HD2      LEU  11  -3.181  -0.386  -4.517
   94   2HD2  LEU  11          2HD2      LEU  11  -1.638  -1.007  -5.105
   95   3HD2  LEU  11          3HD2      LEU  11  -2.317   0.464  -5.799
   96    H    THR  12           H        THR  12   2.282  -0.294  -4.919
   97    HA   THR  12           HA       THR  12   4.094   1.779  -6.072
   98    HB   THR  12           HB       THR  12   5.367   0.910  -4.210
   99    HG1  THR  12           1HG      THR  12   6.587  -0.692  -5.989
  100   1HG2  THR  12          1HG2      THR  12   4.921  -1.153  -3.414
  101   2HG2  THR  12          2HG2      THR  12   5.692  -1.836  -4.843
  102   3HG2  THR  12          3HG2      THR  12   3.958  -1.530  -4.841
  103    H    ASP  13           H        ASP  13   5.761   0.016  -7.477
  104    HA   ASP  13           HA       ASP  13   3.794  -1.372  -9.265
  105   1HB   ASP  13          2HB       ASP  13   6.354   0.070 -10.011
  106   2HB   ASP  13          1HB       ASP  13   5.304  -0.793 -11.136
  107    H    THR  14           H        THR  14   6.052  -2.136  -7.030
  108    HA   THR  14           HA       THR  14   6.739  -4.629  -8.497
  109    HB   THR  14           HB       THR  14   8.620  -3.027  -8.863
  110    HG1  THR  14           1HG      THR  14   9.639  -4.891  -7.078
  111   1HG2  THR  14          1HG2      THR  14   9.032  -3.249  -5.875
  112   2HG2  THR  14          2HG2      THR  14   8.263  -1.861  -6.643
  113   3HG2  THR  14          3HG2      THR  14   9.942  -2.255  -7.012
  114    H    LYS  15           H        LYS  15   7.242  -6.388  -7.103
  115    HA   LYS  15           HA       LYS  15   5.995  -6.232  -4.481
  116   1HB   LYS  15          2HB       LYS  15   6.730  -8.616  -4.291
  117   2HB   LYS  15          1HB       LYS  15   5.829  -8.297  -5.772
  118   1HG   LYS  15          2HG       LYS  15   8.078  -7.935  -6.917
  119   2HG   LYS  15          1HG       LYS  15   8.824  -8.589  -5.460
  120   1HD   LYS  15          2HD       LYS  15   6.830  -9.998  -7.256
  121   2HD   LYS  15          1HD       LYS  15   8.538 -10.396  -7.062
  122   1HE   LYS  15          2HE       LYS  15   7.954 -10.667  -4.538
  123   2HE   LYS  15          1HE       LYS  15   6.283 -10.766  -5.097
  124   1HZ   LYS  15          1HZ       LYS  15   7.356 -12.948  -4.932
  125   2HZ   LYS  15          2HZ       LYS  15   8.508 -12.468  -6.085
  126   3HZ   LYS  15          3HZ       LYS  15   6.870 -12.597  -6.518
  127    H    LYS  16           H        LYS  16   9.163  -5.738  -5.707
  128    HA   LYS  16           HA       LYS  16  10.278  -5.811  -2.923
  129   1HB   LYS  16          2HB       LYS  16  11.533  -6.422  -5.604
  130   2HB   LYS  16          1HB       LYS  16  12.518  -6.009  -4.200
  131   1HG   LYS  16          2HG       LYS  16  12.007  -7.968  -3.085
  132   2HG   LYS  16          1HG       LYS  16  10.417  -8.107  -3.835
  133   1HD   LYS  16          2HD       LYS  16  11.311  -8.966  -5.851
  134   2HD   LYS  16          1HD       LYS  16  12.946  -8.433  -5.452
  135   1HE   LYS  16          2HE       LYS  16  11.454 -10.492  -3.811
  136   2HE   LYS  16          1HE       LYS  16  12.505 -10.927  -5.158
  137   1HZ   LYS  16          1HZ       LYS  16  13.232 -10.312  -2.531
  138   2HZ   LYS  16          2HZ       LYS  16  13.858  -9.091  -3.535
  139   3HZ   LYS  16          3HZ       LYS  16  14.243 -10.720  -3.830
  140    H    VAL  17           H        VAL  17   9.108  -3.546  -3.176
  141    HA   VAL  17           HA       VAL  17  10.093  -1.483  -4.798
  142    HB   VAL  17           HB       VAL  17   9.432   0.075  -2.994
  143   1HG1  VAL  17          1HG1      VAL  17   7.630  -2.261  -3.610
  144   2HG1  VAL  17          2HG1      VAL  17   7.653  -0.669  -4.364
  145   3HG1  VAL  17          3HG1      VAL  17   7.073  -0.850  -2.710
  146   1HG2  VAL  17          1HG2      VAL  17   9.394  -2.493  -1.411
  147   2HG2  VAL  17          2HG2      VAL  17   8.397  -1.120  -0.930
  148   3HG2  VAL  17          3HG2      VAL  17  10.150  -0.955  -0.998
  149    H    LYS  18           H        LYS  18  11.497   0.333  -4.110
  150    HA   LYS  18           HA       LYS  18  13.958  -0.736  -2.831
  151   1HB   LYS  18          2HB       LYS  18  14.743   1.675  -3.796
  152   2HB   LYS  18          1HB       LYS  18  14.762   0.211  -4.775
  153   1HG   LYS  18          2HG       LYS  18  13.658   2.018  -5.999
  154   2HG   LYS  18          1HG       LYS  18  12.489   0.758  -5.612
  155   1HD   LYS  18          2HD       LYS  18  11.564   2.041  -3.814
  156   2HD   LYS  18          1HD       LYS  18  12.897   3.190  -3.866
  157   1HE   LYS  18          2HE       LYS  18  12.177   3.780  -6.219
  158   2HE   LYS  18          1HE       LYS  18  10.736   2.800  -5.949
  159   1HZ   LYS  18          1HZ       LYS  18  10.880   4.389  -3.743
  160   2HZ   LYS  18          2HZ       LYS  18   9.857   4.628  -5.077
  161   3HZ   LYS  18          3HZ       LYS  18  11.354   5.427  -4.999
  162    H    CYS  19           H        CYS  19  12.381  -0.465  -0.891
  163    HA   CYS  19           HA       CYS  19  11.395   1.698   0.327
  164   1HB   CYS  19          2HB       CYS  19  13.339  -0.269   1.552
  165   2HB   CYS  19          1HB       CYS  19  12.414   0.892   2.504
  166    H    ASP  20           H        ASP  20  14.859   1.228  -0.200
  167    HA   ASP  20           HA       ASP  20  16.004   3.182   1.398
  168   1HB   ASP  20          2HB       ASP  20  17.346   1.770  -0.075
  169   2HB   ASP  20          1HB       ASP  20  16.661   2.559  -1.496
  170    H    VAL  21           H        VAL  21  14.336   3.662  -1.701
  171    HA   VAL  21           HA       VAL  21  14.493   6.613  -1.251
  172    HB   VAL  21           HB       VAL  21  13.481   5.326  -3.769
  173   1HG1  VAL  21          1HG1      VAL  21  14.498   7.377  -4.755
  174   2HG1  VAL  21          2HG1      VAL  21  14.978   7.884  -3.137
  175   3HG1  VAL  21          3HG1      VAL  21  13.269   7.749  -3.548
  176   1HG2  VAL  21          1HG2      VAL  21  16.359   5.636  -2.894
  177   2HG2  VAL  21          2HG2      VAL  21  15.889   5.466  -4.585
  178   3HG2  VAL  21          3HG2      VAL  21  15.554   4.166  -3.442
  179    H    GLU  22           H        GLU  22  12.281   3.890  -1.661
  180    HA   GLU  22           HA       GLU  22   9.856   5.353  -1.933
  181   1HB   GLU  22          2HB       GLU  22  10.531   2.668  -1.696
  182   2HB   GLU  22          1HB       GLU  22   9.630   2.978  -0.213
  183   1HG   GLU  22          2HG       GLU  22   7.994   2.342  -1.824
  184   2HG   GLU  22          1HG       GLU  22   7.864   4.097  -1.692
  185    H    MET  23           H        MET  23  12.103   5.521   0.478
  186    HA   MET  23           HA       MET  23  10.110   6.644   2.393
  187   1HB   MET  23          2HB       MET  23  12.265   4.602   2.927
  188   2HB   MET  23          1HB       MET  23  11.693   5.664   4.211
  189   1HG   MET  23          2HG       MET  23   9.486   4.458   2.696
  190   2HG   MET  23          1HG       MET  23  10.518   3.253   3.461
  191   1HE   MET  23          1HE       MET  23  10.620   3.976   7.064
  192   2HE   MET  23          2HE       MET  23  11.423   3.398   5.606
  193   3HE   MET  23          3HE       MET  23   9.969   2.588   6.181
  194    H    ALA  24           H        ALA  24  13.591   6.379   1.569
  195    HA   ALA  24           HA       ALA  24  14.246   8.778   3.078
  196   1HB   ALA  24          1HB       ALA  24  16.459   8.428   2.401
  197   2HB   ALA  24          2HB       ALA  24  15.980   7.691   0.872
  198   3HB   ALA  24          3HB       ALA  24  15.803   6.792   2.380
  199    H    LYS  25           H        LYS  25  12.490   8.434   0.342
  200    HA   LYS  25           HA       LYS  25  13.596  10.326  -1.472
  201   1HB   LYS  25          2HB       LYS  25  11.191  10.603  -2.240
  202   2HB   LYS  25          1HB       LYS  25  11.785   8.947  -2.223
  203   1HG   LYS  25          2HG       LYS  25  10.800   8.893   0.209
  204   2HG   LYS  25          1HG       LYS  25   9.862  10.281  -0.335
  205   1HD   LYS  25          2HD       LYS  25   9.902   7.509  -1.541
  206   2HD   LYS  25          1HD       LYS  25   8.545   8.308  -0.759
  207   1HE   LYS  25          2HE       LYS  25   8.878  10.134  -2.602
  208   2HE   LYS  25          1HE       LYS  25   9.767   8.869  -3.449
  209   1HZ   LYS  25          1HZ       LYS  25   7.090   9.201  -3.522
  210   2HZ   LYS  25          2HZ       LYS  25   7.263   7.984  -2.351
  211   3HZ   LYS  25          3HZ       LYS  25   7.904   7.765  -3.909
  212    H    ALA  26           H        ALA  26  10.866  11.931  -1.265
  213    HA   ALA  26           HA       ALA  26  11.872  13.850   0.807
  214   1HB   ALA  26          1HB       ALA  26  10.498  14.424  -1.831
  215   2HB   ALA  26          2HB       ALA  26  12.185  14.753  -1.436
  216   3HB   ALA  26          3HB       ALA  26  10.898  15.641  -0.620
  217    H    LEU  27           H        LEU  27   9.136  12.049  -0.373
  218    HA   LEU  27           HA       LEU  27   7.214  13.709   1.116
  219   1HB   LEU  27          2HB       LEU  27   5.539  12.506   0.050
  220   2HB   LEU  27          1HB       LEU  27   6.845  12.369  -1.120
  221    HG   LEU  27           HG       LEU  27   7.463  10.189   0.221
  222   1HD1  LEU  27          1HD1      LEU  27   4.854   9.346   0.741
  223   2HD1  LEU  27          2HD1      LEU  27   4.895  10.971   1.414
  224   3HD1  LEU  27          3HD1      LEU  27   6.061   9.766   1.949
  225   1HD2  LEU  27          1HD2      LEU  27   4.979  10.246  -1.523
  226   2HD2  LEU  27          2HD2      LEU  27   6.085   8.890  -1.307
  227   3HD2  LEU  27          3HD2      LEU  27   6.625  10.344  -2.145
  228    H    PHE  28           H        PHE  28   9.390  11.324   1.994
  229    HA   PHE  28           HA       PHE  28   7.670  10.545   4.323
  230   1HB   PHE  28          2HB       PHE  28   9.484   8.931   2.587
  231   2HB   PHE  28          1HB       PHE  28   9.483   8.550   4.303
  232    HD1  PHE  28           1HD      PHE  28   8.076   7.570   1.332
  233    HD2  PHE  28           2HD      PHE  28   6.871   8.705   5.297
  234    HE1  PHE  28           1HE      PHE  28   5.958   6.315   1.047
  235    HE2  PHE  28           2HE      PHE  28   4.753   7.452   5.009
  236    HZ   PHE  28           HZ       PHE  28   4.296   6.257   2.886
  237    H    ASP  29           H        ASP  29  10.948  11.342   3.225
  238    HA   ASP  29           HA       ASP  29  12.653  12.452   4.407
  239   1HB   ASP  29          2HB       ASP  29  11.049  12.406   6.948
  240   2HB   ASP  29          1HB       ASP  29  12.159  13.637   6.350
  241    H    CYS  30           H        CYS  30  12.336   9.548   4.259
  242    HA   CYS  30           HA       CYS  30  13.349   7.630   5.139
  243   1HB   CYS  30          2HB       CYS  30  15.319   9.201   5.077
  244   2HB   CYS  30          1HB       CYS  30  14.986   9.595   6.761
  245    H    LYS  31           H        LYS  31  11.162   7.370   6.297
  246    HA   LYS  31           HA       LYS  31  11.066   8.027   9.136
  247   1HB   LYS  31          2HB       LYS  31   9.392   5.957   7.694
  248   2HB   LYS  31          1HB       LYS  31   8.981   6.825   9.167
  249   1HG   LYS  31          2HG       LYS  31   9.377   8.118   6.459
  250   2HG   LYS  31          1HG       LYS  31   7.810   7.711   7.148
  251   1HD   LYS  31          2HD       LYS  31   9.828   9.662   8.296
  252   2HD   LYS  31          1HD       LYS  31   8.287  10.066   7.549
  253   1HE   LYS  31          2HE       LYS  31   7.650  10.108   9.770
  254   2HE   LYS  31          1HE       LYS  31   7.345   8.409   9.415
  255   1HZ   LYS  31          1HZ       LYS  31  10.057   9.038  10.212
  256   2HZ   LYS  31          2HZ       LYS  31   9.055   7.750  10.685
  257   3HZ   LYS  31          3HZ       LYS  31   8.888   9.274  11.418
  258    H    LYS  32           H        LYS  32   9.940   4.974   9.123
  259    HA   LYS  32           HA       LYS  32  12.520   3.585   9.492
  260   1HB   LYS  32          2HB       LYS  32  12.008   2.899  11.784
  261   2HB   LYS  32          1HB       LYS  32  12.048   4.660  11.689
  262   1HG   LYS  32          2HG       LYS  32   9.537   4.604  11.365
  263   2HG   LYS  32          1HG       LYS  32   9.598   2.882  11.742
  264   1HD   LYS  32          2HD       LYS  32  10.606   5.095  13.555
  265   2HD   LYS  32          1HD       LYS  32   9.070   4.249  13.748
  266   1HE   LYS  32          2HE       LYS  32  10.525   2.086  13.739
  267   2HE   LYS  32          1HE       LYS  32  11.865   3.179  14.092
  268   1HZ   LYS  32          1HZ       LYS  32  10.423   2.129  15.995
  269   2HZ   LYS  32          2HZ       LYS  32   9.412   3.454  15.663
  270   3HZ   LYS  32          3HZ       LYS  32  11.029   3.707  16.121
  271    H    THR  33           H        THR  33   8.994   3.515   9.416
  272    HA   THR  33           HA       THR  33   9.153   0.710   8.407
  273    HB   THR  33           HB       THR  33   8.462   0.664  10.803
  274    HG1  THR  33           1HG      THR  33   6.085  -0.012   9.870
  275   1HG2  THR  33          1HG2      THR  33   6.020   2.192   9.881
  276   2HG2  THR  33          2HG2      THR  33   7.386   2.961  10.689
  277   3HG2  THR  33          3HG2      THR  33   6.442   1.731  11.530
  278    H    ASN  34           H        ASN  34   7.611   0.257   6.785
  279    HA   ASN  34           HA       ASN  34   5.464   2.152   6.199
  280   1HB   ASN  34          2HB       ASN  34   8.069   2.343   4.850
  281   2HB   ASN  34          1HB       ASN  34   6.724   2.176   3.726
  282   1HD2  ASN  34          1HD2      ASN  34   7.195   4.490   3.117
  283   2HD2  ASN  34          2HD2      ASN  34   6.597   5.739   4.098
  284    H    THR  35           H        THR  35   4.031   1.346   4.564
  285    HA   THR  35           HA       THR  35   4.622  -1.399   3.558
  286    HB   THR  35           HB       THR  35   1.945  -0.631   4.736
  287    HG1  THR  35           1HG      THR  35   2.596  -1.502   6.611
  288   1HG2  THR  35          1HG2      THR  35   3.242  -3.277   4.026
  289   2HG2  THR  35          2HG2      THR  35   1.939  -2.489   3.139
  290   3HG2  THR  35          3HG2      THR  35   1.653  -3.094   4.770
  291    H    PHE  36           H        PHE  36   3.406  -1.963   1.663
  292    HA   PHE  36           HA       PHE  36   1.726   0.134   0.414
  293   1HB   PHE  36          2HB       PHE  36   3.824  -0.969  -1.397
  294   2HB   PHE  36          1HB       PHE  36   3.066   0.614  -1.402
  295    HD1  PHE  36           1HD      PHE  36   5.274  -1.432   0.851
  296    HD2  PHE  36           2HD      PHE  36   4.418   2.417  -0.845
  297    HE1  PHE  36           1HE      PHE  36   7.261  -0.493   1.984
  298    HE2  PHE  36           2HE      PHE  36   6.406   3.359   0.291
  299    HZ   PHE  36           HZ       PHE  36   7.832   1.904   1.700
  300    H    ILE  37           H        ILE  37   1.067  -0.867  -1.908
  301    HA   ILE  37           HA       ILE  37   0.602  -3.794  -1.493
  302    HB   ILE  37           HB       ILE  37  -1.327  -1.937  -2.882
  303   1HG1  ILE  37          2HG1      ILE  37  -1.845  -2.963  -0.109
  304   2HG1  ILE  37          1HG1      ILE  37  -0.811  -1.550  -0.285
  305   1HG2  ILE  37          1HG2      ILE  37  -2.890  -3.857  -2.217
  306   2HG2  ILE  37          2HG2      ILE  37  -1.426  -4.770  -1.857
  307   3HG2  ILE  37          3HG2      ILE  37  -1.720  -4.188  -3.493
  308   1HD1  ILE  37          1HD1      ILE  37  -3.456  -1.663  -1.713
  309   2HD1  ILE  37          2HD1      ILE  37  -2.514  -0.251  -1.231
  310   3HD1  ILE  37          3HD1      ILE  37  -3.377  -1.191  -0.015
  311    H    TYR  38           H        TYR  38   1.148  -5.090  -3.182
  312    HA   TYR  38           HA       TYR  38   2.240  -3.763  -5.603
  313   1HB   TYR  38          2HB       TYR  38   3.585  -5.554  -4.650
  314   2HB   TYR  38          1HB       TYR  38   2.215  -6.661  -4.708
  315    HD1  TYR  38           1HD      TYR  38   3.995  -4.318  -7.047
  316    HD2  TYR  38           2HD      TYR  38   2.197  -8.178  -6.474
  317    HE1  TYR  38           1HE      TYR  38   4.591  -4.943  -9.373
  318    HE2  TYR  38           2HE      TYR  38   2.794  -8.800  -8.798
  319    HH   TYR  38           HH       TYR  38   3.453  -7.941 -10.818
  320    H    ALA  39           H        ALA  39   0.367  -3.081  -6.727
  321    HA   ALA  39           HA       ALA  39  -1.108  -5.262  -8.071
  322   1HB   ALA  39          1HB       ALA  39  -2.419  -3.166  -6.328
  323   2HB   ALA  39          2HB       ALA  39  -2.582  -4.919  -6.219
  324   3HB   ALA  39          3HB       ALA  39  -3.300  -4.049  -7.575
  325    H    LEU  40           H        LEU  40  -2.076  -4.552 -10.058
  326    HA   LEU  40           HA       LEU  40  -0.803  -2.145 -11.147
  327   1HB   LEU  40          2HB       LEU  40  -1.151  -3.075 -13.212
  328   2HB   LEU  40          1HB       LEU  40  -1.288  -4.541 -12.252
  329    HG   LEU  40           HG       LEU  40  -3.858  -3.777 -12.135
  330   1HD1  LEU  40          1HD1      LEU  40  -4.587  -2.614 -14.069
  331   2HD1  LEU  40          2HD1      LEU  40  -3.043  -2.833 -14.886
  332   3HD1  LEU  40          3HD1      LEU  40  -3.174  -1.709 -13.538
  333   1HD2  LEU  40          1HD2      LEU  40  -4.184  -5.160 -14.257
  334   2HD2  LEU  40          2HD2      LEU  40  -3.236  -5.926 -12.983
  335   3HD2  LEU  40          3HD2      LEU  40  -2.425  -5.216 -14.379
  336    HA   PRO  41           HA       PRO  41  -3.827   0.963 -10.487
  337   1HB   PRO  41          2HB       PRO  41  -4.080   1.126 -13.458
  338   2HB   PRO  41          1HB       PRO  41  -3.781   2.415 -12.280
  339   1HG   PRO  41          2HG       PRO  41  -1.858   1.255 -13.860
  340   2HG   PRO  41          1HG       PRO  41  -1.545   2.114 -12.346
  341   1HD   PRO  41          2HD       PRO  41  -1.209  -0.710 -12.897
  342   2HD   PRO  41          1HD       PRO  41  -0.824   0.171 -11.404
  343    H    GLY  42           H        GLY  42  -4.748  -0.942 -13.380
  344   1HA   GLY  42          2HA       GLY  42  -7.534  -0.630 -13.148
  345   2HA   GLY  42          1HA       GLY  42  -6.773  -2.039 -13.883
  346    H    ARG  43           H        ARG  43  -5.538  -3.256 -11.776
  347    HA   ARG  43           HA       ARG  43  -7.683  -4.572 -10.434
  348   1HB   ARG  43          2HB       ARG  43  -5.345  -5.480 -10.922
  349   2HB   ARG  43          1HB       ARG  43  -4.800  -4.545  -9.530
  350   1HG   ARG  43          2HG       ARG  43  -5.282  -6.559  -8.491
  351   2HG   ARG  43          1HG       ARG  43  -6.843  -5.754  -8.336
  352   1HD   ARG  43          2HD       ARG  43  -7.397  -6.853 -10.624
  353   2HD   ARG  43          1HD       ARG  43  -6.021  -7.903 -10.287
  354    HE   ARG  43           HE       ARG  43  -7.527  -8.045  -7.971
  355   1HH1  ARG  43          1HH2      ARG  43  -8.104  -8.446 -11.347
  356   2HH1  ARG  43          2HH2      ARG  43  -9.360  -9.618 -11.129
  357   1HH2  ARG  43          1HH1      ARG  43  -9.164  -9.574  -7.667
  358   2HH2  ARG  43          2HH1      ARG  43  -9.959 -10.258  -9.046
  359    H    VAL  44           H        VAL  44  -5.754  -1.765  -9.607
  360    HA   VAL  44           HA       VAL  44  -6.460  -1.827  -6.776
  361    HB   VAL  44           HB       VAL  44  -5.368   0.434  -8.478
  362   1HG1  VAL  44          1HG1      VAL  44  -6.214   1.452  -6.532
  363   2HG1  VAL  44          2HG1      VAL  44  -4.535   1.124  -6.105
  364   3HG1  VAL  44          3HG1      VAL  44  -5.816   0.064  -5.519
  365   1HG2  VAL  44          1HG2      VAL  44  -4.030  -1.775  -8.236
  366   2HG2  VAL  44          2HG2      VAL  44  -3.833  -1.311  -6.547
  367   3HG2  VAL  44          3HG2      VAL  44  -3.204  -0.272  -7.826
  368    H    LYS  45           H        LYS  45  -7.355   0.401  -9.444
  369    HA   LYS  45           HA       LYS  45  -9.484   1.630  -7.958
  370   1HB   LYS  45          2HB       LYS  45  -9.385   1.410 -10.972
  371   2HB   LYS  45          1HB       LYS  45 -10.068   2.710  -9.995
  372   1HG   LYS  45          2HG       LYS  45  -7.809   3.287  -9.179
  373   2HG   LYS  45          1HG       LYS  45  -7.126   1.995 -10.163
  374   1HD   LYS  45          2HD       LYS  45  -6.889   4.109 -11.351
  375   2HD   LYS  45          1HD       LYS  45  -8.055   3.093 -12.197
  376   1HE   LYS  45          2HE       LYS  45  -9.869   4.402 -11.552
  377   2HE   LYS  45          1HE       LYS  45  -9.054   5.008 -10.111
  378   1HZ   LYS  45          1HZ       LYS  45  -8.983   6.801 -11.535
  379   2HZ   LYS  45          2HZ       LYS  45  -8.728   5.845 -12.916
  380   3HZ   LYS  45          3HZ       LYS  45  -7.468   6.088 -11.804
  381    H    ALA  46           H        ALA  46  -9.196  -1.358  -9.632
  382    HA   ALA  46           HA       ALA  46 -12.045  -1.747 -10.118
  383   1HB   ALA  46          1HB       ALA  46  -9.671  -3.628 -10.142
  384   2HB   ALA  46          2HB       ALA  46 -10.479  -2.920 -11.540
  385   3HB   ALA  46          3HB       ALA  46 -11.308  -4.127 -10.558
  386    H    LEU  47           H        LEU  47  -9.730  -2.595  -7.585
  387    HA   LEU  47           HA       LEU  47 -11.299  -4.477  -6.164
  388   1HB   LEU  47          2HB       LEU  47  -9.106  -2.572  -5.436
  389   2HB   LEU  47          1HB       LEU  47 -10.001  -3.339  -4.123
  390    HG   LEU  47           HG       LEU  47  -8.975  -5.034  -6.388
  391   1HD1  LEU  47          1HD1      LEU  47  -6.915  -5.395  -4.895
  392   2HD1  LEU  47          2HD1      LEU  47  -7.368  -3.885  -4.102
  393   3HD1  LEU  47          3HD1      LEU  47  -6.968  -3.894  -5.819
  394   1HD2  LEU  47          1HD2      LEU  47  -8.844  -6.705  -4.552
  395   2HD2  LEU  47          2HD2      LEU  47 -10.466  -6.031  -4.700
  396   3HD2  LEU  47          3HD2      LEU  47  -9.396  -5.478  -3.412
  397    H    CYS  48           H        CYS  48 -12.029  -1.248  -6.808
  398    HA   CYS  48           HA       CYS  48 -14.141  -1.307  -4.710
  399   1HB   CYS  48          2HB       CYS  48 -12.067   0.846  -5.109
  400   2HB   CYS  48          1HB       CYS  48 -13.660   1.254  -4.472
  401    H    LYS  49           H        LYS  49 -14.580  -1.930  -7.359
  402    HA   LYS  49           HA       LYS  49 -15.562   0.545  -8.668
  403   1HB   LYS  49          2HB       LYS  49 -15.874  -0.815 -10.629
  404   2HB   LYS  49          1HB       LYS  49 -14.304  -1.239  -9.948
  405   1HG   LYS  49          2HG       LYS  49 -15.527  -3.113  -8.692
  406   2HG   LYS  49          1HG       LYS  49 -16.891  -2.791  -9.764
  407   1HD   LYS  49          2HD       LYS  49 -15.216  -3.041 -11.700
  408   2HD   LYS  49          1HD       LYS  49 -14.120  -3.740 -10.506
  409   1HE   LYS  49          2HE       LYS  49 -16.760  -4.795 -11.491
  410   2HE   LYS  49          1HE       LYS  49 -15.216  -5.636 -11.340
  411   1HZ   LYS  49          1HZ       LYS  49 -15.468  -5.285  -8.874
  412   2HZ   LYS  49          2HZ       LYS  49 -16.543  -6.396  -9.579
  413   3HZ   LYS  49          3HZ       LYS  49 -17.073  -4.831  -9.180
  414    H    ASN  50           H        ASN  50 -17.720   1.046  -8.781
  415    HA   ASN  50           HA       ASN  50 -20.053   0.791  -8.593
  416   1HB   ASN  50          2HB       ASN  50 -19.362  -1.689  -9.336
  417   2HB   ASN  50          1HB       ASN  50 -19.839  -2.051  -7.678
  418   1HD2  ASN  50          1HD2      ASN  50 -21.825   0.296  -7.794
  419   2HD2  ASN  50          2HD2      ASN  50 -23.140  -0.320  -8.674
  420    H    ILE  51           H        ILE  51 -17.796   0.644  -6.231
  421    HA   ILE  51           HA       ILE  51 -19.288  -0.173  -3.923
  422    HB   ILE  51           HB       ILE  51 -17.011   1.815  -4.177
  423   1HG1  ILE  51          2HG1      ILE  51 -16.441  -0.438  -4.974
  424   2HG1  ILE  51          1HG1      ILE  51 -15.622  -0.103  -3.452
  425   1HG2  ILE  51          1HG2      ILE  51 -16.684   1.034  -1.712
  426   2HG2  ILE  51          2HG2      ILE  51 -18.386   0.580  -1.803
  427   3HG2  ILE  51          3HG2      ILE  51 -17.905   2.259  -2.057
  428   1HD1  ILE  51          1HD1      ILE  51 -17.825  -1.232  -2.439
  429   2HD1  ILE  51          2HD1      ILE  51 -16.462  -2.206  -2.983
  430   3HD1  ILE  51          3HD1      ILE  51 -17.865  -1.995  -4.028
  431    H    ARG  52           H        ARG  52 -19.743   1.580  -2.136
  432    HA   ARG  52           HA       ARG  52 -21.541   3.589  -3.398
  433   1HB   ARG  52          2HB       ARG  52 -22.380   1.929  -1.655
  434   2HB   ARG  52          1HB       ARG  52 -21.404   2.806  -0.478
  435   1HG   ARG  52          2HG       ARG  52 -23.361   3.994  -0.225
  436   2HG   ARG  52          1HG       ARG  52 -22.687   4.905  -1.574
  437   1HD   ARG  52          2HD       ARG  52 -24.566   2.544  -1.894
  438   2HD   ARG  52          1HD       ARG  52 -25.084   4.228  -1.913
  439    HE   ARG  52           HE       ARG  52 -23.161   4.232  -3.844
  440   1HH1  ARG  52          1HH2      ARG  52 -25.801   2.133  -3.121
  441   2HH1  ARG  52          2HH2      ARG  52 -26.062   1.677  -4.771
  442   1HH2  ARG  52          1HH1      ARG  52 -23.489   3.649  -6.001
  443   2HH2  ARG  52          2HH1      ARG  52 -24.754   2.535  -6.402
  444    H    ASP  53           H        ASP  53 -21.079   4.556  -0.300
  445    HA   ASP  53           HA       ASP  53 -19.158   6.678  -1.134
  446   1HB   ASP  53          2HB       ASP  53 -20.884   6.574   1.347
  447   2HB   ASP  53          1HB       ASP  53 -20.052   7.978   0.677
  448    H    ASN  54           H        ASN  54 -18.690   7.297   1.681
  449    HA   ASN  54           HA       ASN  54 -16.229   5.886   2.024
  450   1HB   ASN  54          2HB       ASN  54 -17.823   7.382   4.124
  451   2HB   ASN  54          1HB       ASN  54 -16.104   6.996   4.198
  452   1HD2  ASN  54          1HD2      ASN  54 -18.491   9.125   2.711
  453   2HD2  ASN  54          2HD2      ASN  54 -17.373  10.150   1.950
  454    H    THR  55           H        THR  55 -16.242   3.716   2.342
  455    HA   THR  55           HA       THR  55 -17.675   2.680   4.723
  456    HB   THR  55           HB       THR  55 -17.796   0.925   2.320
  457    HG1  THR  55           1HG      THR  55 -19.608   3.070   2.661
  458   1HG2  THR  55          1HG2      THR  55 -19.852   1.665   4.419
  459   2HG2  THR  55          2HG2      THR  55 -18.707   0.334   4.576
  460   3HG2  THR  55          3HG2      THR  55 -19.927   0.302   3.303
  461    H    ASP  56           H        ASP  56 -16.796   0.542   5.372
  462    HA   ASP  56           HA       ASP  56 -13.910   0.369   4.683
  463   1HB   ASP  56          2HB       ASP  56 -15.442  -1.029   6.893
  464   2HB   ASP  56          1HB       ASP  56 -13.689  -0.942   6.719
  465    H    VAL  57           H        VAL  57 -13.255  -1.161   3.279
  466    HA   VAL  57           HA       VAL  57 -14.948  -3.609   2.932
  467    HB   VAL  57           HB       VAL  57 -13.856  -3.710   0.636
  468   1HG1  VAL  57          1HG1      VAL  57 -15.628  -1.375   1.406
  469   2HG1  VAL  57          2HG1      VAL  57 -16.137  -2.955   0.811
  470   3HG1  VAL  57          3HG1      VAL  57 -15.303  -1.835  -0.266
  471   1HG2  VAL  57          1HG2      VAL  57 -12.780  -1.731  -0.216
  472   2HG2  VAL  57          2HG2      VAL  57 -11.992  -2.126   1.311
  473   3HG2  VAL  57          3HG2      VAL  57 -13.175  -0.820   1.242
  474    H    LEU  58           H        LEU  58 -13.385  -5.412   1.879
  475    HA   LEU  58           HA       LEU  58 -10.674  -5.349   3.027
  476   1HB   LEU  58          2HB       LEU  58 -11.929  -6.030   4.975
  477   2HB   LEU  58          1HB       LEU  58 -12.851  -7.197   4.036
  478    HG   LEU  58           HG       LEU  58 -10.876  -8.574   3.702
  479   1HD1  LEU  58          1HD1      LEU  58  -8.751  -7.877   4.946
  480   2HD1  LEU  58          2HD1      LEU  58  -9.464  -6.277   5.059
  481   3HD1  LEU  58          3HD1      LEU  58  -9.114  -6.974   3.485
  482   1HD2  LEU  58          1HD2      LEU  58 -10.341  -9.090   6.090
  483   2HD2  LEU  58          2HD2      LEU  58 -12.072  -8.927   5.792
  484   3HD2  LEU  58          3HD2      LEU  58 -11.181  -7.612   6.558
  485    H    SER  59           H        SER  59  -9.296  -6.784   1.938
  486    HA   SER  59           HA       SER  59 -10.058  -7.738  -0.602
  487   1HB   SER  59          2HB       SER  59  -7.722  -7.939   1.110
  488   2HB   SER  59          1HB       SER  59  -7.984  -9.441   0.228
  489    HG   SER  59           HG       SER  59  -8.301  -7.953  -1.644
  490    H    ARG  60           H        ARG  60 -10.588  -9.857  -1.367
  491    HA   ARG  60           HA       ARG  60 -12.155 -11.404   0.599
  492   1HB   ARG  60          2HB       ARG  60 -11.850 -11.702  -2.404
  493   2HB   ARG  60          1HB       ARG  60 -12.962 -12.635  -1.401
  494   1HG   ARG  60          2HG       ARG  60 -13.910 -10.390  -0.616
  495   2HG   ARG  60          1HG       ARG  60 -12.996  -9.659  -1.937
  496   1HD   ARG  60          2HD       ARG  60 -15.156 -10.075  -2.842
  497   2HD   ARG  60          1HD       ARG  60 -14.142 -11.377  -3.465
  498    HE   ARG  60           HE       ARG  60 -15.359 -12.198  -0.999
  499   1HH1  ARG  60          1HH2      ARG  60 -15.998 -11.517  -4.317
  500   2HH1  ARG  60          2HH2      ARG  60 -17.331 -12.619  -4.425
  501   1HH2  ARG  60          1HH1      ARG  60 -17.096 -13.641  -1.119
  502   2HH2  ARG  60          2HH1      ARG  60 -17.952 -13.820  -2.614
  503    H    ASP  61           H        ASP  61  -9.013 -11.439   0.116
  504    HA   ASP  61           HA       ASP  61  -8.723 -14.215   0.879
  505   1HB   ASP  61          2HB       ASP  61  -7.232 -14.750  -1.157
  506   2HB   ASP  61          1HB       ASP  61  -8.977 -14.774  -1.413
  507    H    ALA  62           H        ALA  62  -6.288 -12.720  -1.136
  508    HA   ALA  62           HA       ALA  62  -4.939 -11.470   1.144
  509   1HB   ALA  62          1HB       ALA  62  -2.860 -12.918   0.727
  510   2HB   ALA  62          2HB       ALA  62  -3.942 -14.028  -0.111
  511   3HB   ALA  62          3HB       ALA  62  -4.189 -13.678   1.599
  512    H    PHE  63           H        PHE  63  -2.780 -10.543   0.417
  513    HA   PHE  63           HA       PHE  63  -2.493 -10.208  -2.502
  514   1HB   PHE  63          2HB       PHE  63  -3.438  -8.060  -0.631
  515   2HB   PHE  63          1HB       PHE  63  -2.352  -7.607  -1.944
  516    HD1  PHE  63           1HD      PHE  63  -5.628  -9.165  -1.147
  517    HD2  PHE  63           2HD      PHE  63  -3.082  -7.585  -4.226
  518    HE1  PHE  63           1HE      PHE  63  -7.523  -9.225  -2.746
  519    HE2  PHE  63           2HE      PHE  63  -4.978  -7.644  -5.824
  520    HZ   PHE  63           HZ       PHE  63  -7.198  -8.465  -5.084
  521    H    LEU  64           H        LEU  64  -0.361  -9.828  -3.039
  522    HA   LEU  64           HA       LEU  64   1.612 -10.058  -0.897
  523   1HB   LEU  64          2HB       LEU  64   1.702 -11.067  -3.294
  524   2HB   LEU  64          1HB       LEU  64   2.231  -9.464  -3.793
  525    HG   LEU  64           HG       LEU  64   3.623 -10.742  -1.458
  526   1HD1  LEU  64          1HD1      LEU  64   3.633 -12.577  -3.017
  527   2HD1  LEU  64          2HD1      LEU  64   5.215 -11.803  -3.113
  528   3HD1  LEU  64          3HD1      LEU  64   4.009 -11.502  -4.364
  529   1HD2  LEU  64          1HD2      LEU  64   5.555  -9.545  -2.494
  530   2HD2  LEU  64          2HD2      LEU  64   4.218  -8.461  -2.121
  531   3HD2  LEU  64          3HD2      LEU  64   4.487  -8.988  -3.780
  532    H    LEU  65           H        LEU  65   2.164  -8.252   0.254
  533    HA   LEU  65           HA       LEU  65   2.391  -5.688  -1.266
  534   1HB   LEU  65          2HB       LEU  65   2.150  -5.107   1.506
  535   2HB   LEU  65          1HB       LEU  65   1.009  -4.740   0.229
  536    HG   LEU  65           HG       LEU  65   1.039  -7.484   1.441
  537   1HD1  LEU  65          1HD1      LEU  65  -0.305  -4.984   2.513
  538   2HD1  LEU  65          2HD1      LEU  65   0.911  -5.960   3.337
  539   3HD1  LEU  65          3HD1      LEU  65  -0.695  -6.624   3.034
  540   1HD2  LEU  65          1HD2      LEU  65  -1.100  -5.702   0.216
  541   2HD2  LEU  65          2HD2      LEU  65  -1.343  -7.359   0.761
  542   3HD2  LEU  65          3HD2      LEU  65  -0.289  -7.028  -0.611
  543    HA   PRO  66           HA       PRO  66   6.631  -5.873   0.175
  544   1HB   PRO  66          2HB       PRO  66   7.401  -3.375  -0.624
  545   2HB   PRO  66          1HB       PRO  66   7.211  -4.729  -1.752
  546   1HG   PRO  66          2HG       PRO  66   5.398  -2.443  -1.226
  547   2HG   PRO  66          1HG       PRO  66   5.741  -3.281  -2.745
  548   1HD   PRO  66          2HD       PRO  66   3.467  -3.691  -1.229
  549   2HD   PRO  66          1HD       PRO  66   4.135  -4.875  -2.375
  550    H    GLN  67           H        GLN  67   7.864  -4.902   1.971
  551    HA   GLN  67           HA       GLN  67   6.495  -2.718   3.444
  552   1HB   GLN  67          2HB       GLN  67   5.672  -5.031   4.223
  553   2HB   GLN  67          1HB       GLN  67   7.291  -5.246   4.890
  554   1HG   GLN  67          2HG       GLN  67   7.019  -3.157   6.195
  555   2HG   GLN  67          1HG       GLN  67   5.386  -2.980   5.552
  556   1HE2  GLN  67          1HE2      GLN  67   3.732  -4.046   6.681
  557   2HE2  GLN  67          2HE2      GLN  67   3.989  -5.212   7.886
  558    H    CYS  68           H        CYS  68   7.945  -1.329   4.311
  559    HA   CYS  68           HA       CYS  68  10.821  -2.053   4.168
  560   1HB   CYS  68          2HB       CYS  68   9.610   0.596   4.997
  561   2HB   CYS  68          1HB       CYS  68  11.256   0.294   4.442
  562    H    ASP  69           H        ASP  69  11.834  -2.812   5.970
  563    HA   ASP  69           HA       ASP  69  10.680  -2.074   8.643
  564   1HB   ASP  69          2HB       ASP  69  10.417  -4.498   7.951
  565   2HB   ASP  69          1HB       ASP  69  12.176  -4.623   7.985
  566    H    ARG  70           H        ARG  70  12.051  -0.609   9.548
  567    HA   ARG  70           HA       ARG  70  14.871  -0.478   8.864
  568   1HB   ARG  70          2HB       ARG  70  13.567   1.522   9.530
  569   2HB   ARG  70          1HB       ARG  70  13.357   0.837  11.140
  570   1HG   ARG  70          2HG       ARG  70  16.169   0.916  10.225
  571   2HG   ARG  70          1HG       ARG  70  15.428   2.504  10.410
  572   1HD   ARG  70          2HD       ARG  70  14.790   1.988  12.707
  573   2HD   ARG  70          1HD       ARG  70  15.400   0.343  12.538
  574    HE   ARG  70           HE       ARG  70  17.412   2.393  11.999
  575   1HH1  ARG  70          1HH2      ARG  70  15.786   0.443  14.331
  576   2HH1  ARG  70          2HH2      ARG  70  17.083   0.498  15.478
  577   1HH2  ARG  70          1HH1      ARG  70  19.116   2.478  13.484
  578   2HH2  ARG  70          2HH1      ARG  70  18.968   1.651  14.998
  579    H    ILE  71           H        ILE  71  16.644  -0.910  10.339
  580    HA   ILE  71           HA       ILE  71  16.227  -2.172  12.899
  581    HB   ILE  71           HB       ILE  71  15.461  -4.014  11.405
  582   1HG1  ILE  71          2HG1      ILE  71  18.145  -4.617  12.683
  583   2HG1  ILE  71          1HG1      ILE  71  16.648  -4.425  13.596
  584   1HG2  ILE  71          1HG2      ILE  71  16.944  -5.035   9.833
  585   2HG2  ILE  71          2HG2      ILE  71  18.323  -4.111  10.429
  586   3HG2  ILE  71          3HG2      ILE  71  17.043  -3.300   9.527
  587   1HD1  ILE  71          1HD1      ILE  71  16.937  -6.784  13.207
  588   2HD1  ILE  71          2HD1      ILE  71  17.258  -6.516  11.493
  589   3HD1  ILE  71          3HD1      ILE  71  15.641  -6.237  12.142
  590    H    LYS  72           H        LYS  72  18.358  -1.734  10.096
  591    HA   LYS  72           HA       LYS  72  20.632  -1.359  12.012
  592   1HB   LYS  72          2HB       LYS  72  22.129  -2.355  10.337
  593   2HB   LYS  72          1HB       LYS  72  20.867  -3.501  10.790
  594   1HG   LYS  72          2HG       LYS  72  19.550  -2.623   8.778
  595   2HG   LYS  72          1HG       LYS  72  21.046  -1.836   8.274
  596   1HD   LYS  72          2HD       LYS  72  22.164  -4.121   8.487
  597   2HD   LYS  72          1HD       LYS  72  20.540  -4.797   8.632
  598   1HE   LYS  72          2HE       LYS  72  21.053  -4.944   6.316
  599   2HE   LYS  72          1HE       LYS  72  20.001  -3.536   6.457
  600   1HZ   LYS  72          1HZ       LYS  72  22.878  -3.113   6.734
  601   2HZ   LYS  72          2HZ       LYS  72  21.694  -2.105   6.052
  602   3HZ   LYS  72          3HZ       LYS  72  22.285  -3.438   5.179
  603    H    LEU  73           H        LEU  73  22.481  -0.142  10.790
  604    HA   LEU  73           HA       LEU  73  23.135   1.914   9.885
  605   1HB   LEU  73          2HB       LEU  73  21.578   0.437   7.922
  606   2HB   LEU  73          1HB       LEU  73  21.391   2.167   7.666
  607    HG   LEU  73           HG       LEU  73  23.973   2.273   7.883
  608   1HD1  LEU  73          1HD1      LEU  73  24.107  -0.082   8.787
  609   2HD1  LEU  73          2HD1      LEU  73  25.174   0.236   7.419
  610   3HD1  LEU  73          3HD1      LEU  73  23.671  -0.655   7.177
  611   1HD2  LEU  73          1HD2      LEU  73  22.659   0.864   5.538
  612   2HD2  LEU  73          2HD2      LEU  73  24.242   1.639   5.491
  613   3HD2  LEU  73          3HD2      LEU  73  22.793   2.608   5.757
  614    HA   PRO  74           HA       PRO  74  20.156   5.004  11.035
  615   1HB   PRO  74          2HB       PRO  74  20.875   7.180   9.619
  616   2HB   PRO  74          1HB       PRO  74  21.962   6.454  10.821
  617   1HG   PRO  74          2HG       PRO  74  22.030   6.271   7.855
  618   2HG   PRO  74          1HG       PRO  74  23.367   6.352   9.014
  619   1HD   PRO  74          2HD       PRO  74  22.402   4.008   7.806
  620   2HD   PRO  74          1HD       PRO  74  23.440   4.074   9.245
  621    H    CYS  75           H        CYS  75  20.474   5.094   7.467
  622    HA   CYS  75           HA       CYS  75  17.498   5.433   7.315
  623   1HB   CYS  75          2HB       CYS  75  18.946   7.426   6.610
  624   2HB   CYS  75          1HB       CYS  75  19.471   6.428   5.253
  625    H    HIS  76           H        HIS  76  18.129   2.901   7.418
  626    HA   HIS  76           HA       HIS  76  18.065   1.974   4.575
  627   1HB   HIS  76          2HB       HIS  76  20.321   1.563   5.621
  628   2HB   HIS  76          1HB       HIS  76  19.520   0.553   6.823
  629    HD1  HIS  76           1HD      HIS  76  18.411  -1.676   5.971
  630    HD2  HIS  76           2HD      HIS  76  20.592   0.378   3.068
  631    HE1  HIS  76           1HE      HIS  76  18.733  -3.288   4.043
  632    HE2  HIS  76           2HE      HIS  76  20.059  -2.048   2.270
  633    H    TYR  77           H        TYR  77  16.821   0.008   4.283
  634    HA   TYR  77           HA       TYR  77  15.212  -0.838   6.650
  635   1HB   TYR  77          2HB       TYR  77  13.906  -0.471   3.963
  636   2HB   TYR  77          1HB       TYR  77  13.157  -0.547   5.559
  637    HD1  TYR  77           1HD      TYR  77  13.586   1.352   7.202
  638    HD2  TYR  77           2HD      TYR  77  14.576   1.603   3.030
  639    HE1  TYR  77           1HE      TYR  77  13.692   3.824   7.376
  640    HE2  TYR  77           2HE      TYR  77  14.682   4.074   3.204
  641    HH   TYR  77           HH       TYR  77  13.961   5.731   6.277
  642    H    LYS  78           H        LYS  78  14.028  -2.913   6.188
  643    HA   LYS  78           HA       LYS  78  15.717  -4.666   4.453
  644   1HB   LYS  78          2HB       LYS  78  15.483  -5.116   6.976
  645   2HB   LYS  78          1HB       LYS  78  13.818  -5.574   6.623
  646   1HG   LYS  78          2HG       LYS  78  14.865  -7.639   6.426
  647   2HG   LYS  78          1HG       LYS  78  14.961  -7.076   4.758
  648   1HD   LYS  78          2HD       LYS  78  17.242  -6.261   5.135
  649   2HD   LYS  78          1HD       LYS  78  17.150  -6.733   6.832
  650   1HE   LYS  78          2HE       LYS  78  17.024  -9.059   6.271
  651   2HE   LYS  78          1HE       LYS  78  16.769  -8.698   4.563
  652   1HZ   LYS  78          1HZ       LYS  78  19.131  -9.317   5.512
  653   2HZ   LYS  78          2HZ       LYS  78  19.185  -7.648   5.827
  654   3HZ   LYS  78          3HZ       LYS  78  18.945  -8.208   4.242
  655    H    LEU  79           H        LEU  79  14.676  -6.085   2.993
  656    HA   LEU  79           HA       LEU  79  12.040  -5.168   2.087
  657   1HB   LEU  79          2HB       LEU  79  14.137  -5.939   0.664
  658   2HB   LEU  79          1HB       LEU  79  13.456  -7.544   0.913
  659    HG   LEU  79           HG       LEU  79  12.575  -6.673  -1.164
  660   1HD1  LEU  79          1HD1      LEU  79  11.040  -7.875   0.490
  661   2HD1  LEU  79          2HD1      LEU  79  10.243  -6.921  -0.761
  662   3HD1  LEU  79          3HD1      LEU  79  10.381  -6.285   0.878
  663   1HD2  LEU  79          1HD2      LEU  79  11.176  -4.376   0.132
  664   2HD2  LEU  79          2HD2      LEU  79  11.830  -4.522  -1.498
  665   3HD2  LEU  79          3HD2      LEU  79  12.909  -4.192  -0.145
  666    H    SER  80           H        SER  80  10.256  -5.984   3.054
  667    HA   SER  80           HA       SER  80  10.165  -8.914   3.621
  668   1HB   SER  80          2HB       SER  80  10.493  -8.075   5.801
  669   2HB   SER  80          1HB       SER  80   9.534  -6.631   5.488
  670    HG   SER  80           HG       SER  80   8.691  -9.294   5.910
  671    H    SER  81           H        SER  81   8.466  -9.738   2.505
  672    HA   SER  81           HA       SER  81   5.987  -8.091   2.265
  673   1HB   SER  81          2HB       SER  81   7.522  -8.030   0.178
  674   2HB   SER  81          1HB       SER  81   7.040  -9.706  -0.056
  675    HG   SER  81           HG       SER  81   4.942  -8.055   0.513
  676    H    SER  82           H        SER  82   4.069  -9.391   1.835
  677    HA   SER  82           HA       SER  82   4.239 -12.299   1.862
  678   1HB   SER  82          2HB       SER  82   2.923 -12.454   4.052
  679   2HB   SER  82          1HB       SER  82   4.631 -12.059   4.208
  680    HG   SER  82           HG       SER  82   4.020 -10.281   5.125
  681    H    THR  83           H        THR  83   2.010 -13.257   1.883
  682    HA   THR  83           HA       THR  83   0.145 -11.388   0.539
  683    HB   THR  83           HB       THR  83  -0.834 -13.914   0.157
  684    HG1  THR  83           1HG      THR  83   1.051 -14.687   1.293
  685   1HG2  THR  83          1HG2      THR  83   1.255 -12.375  -1.389
  686   2HG2  THR  83          2HG2      THR  83  -0.491 -12.347  -1.637
  687   3HG2  THR  83          3HG2      THR  83   0.433 -13.796  -2.030
  688    H    ASN  84           H        ASN  84  -1.518 -10.658   1.757
  689    HA   ASN  84           HA       ASN  84  -3.044 -12.508   3.436
  690   1HB   ASN  84          2HB       ASN  84  -1.258 -11.926   5.001
  691   2HB   ASN  84          1HB       ASN  84  -1.518 -10.208   4.695
  692   1HD2  ASN  84          1HD2      ASN  84  -2.024  -9.995   7.058
  693   2HD2  ASN  84          2HD2      ASN  84  -3.557 -10.449   7.627
  694    H    THR  85           H        THR  85  -5.088 -11.553   4.111
  695    HA   THR  85           HA       THR  85  -6.163  -9.662   2.253
  696    HB   THR  85           HB       THR  85  -7.629  -9.860   4.786
  697    HG1  THR  85           1HG      THR  85  -7.176 -12.290   3.447
  698   1HG2  THR  85          1HG2      THR  85  -9.349 -10.797   3.273
  699   2HG2  THR  85          2HG2      THR  85  -8.159 -10.850   1.973
  700   3HG2  THR  85          3HG2      THR  85  -8.669  -9.298   2.640
  701    H    ILE  86           H        ILE  86  -6.961  -7.458   2.786
  702    HA   ILE  86           HA       ILE  86  -5.760  -6.216   5.176
  703    HB   ILE  86           HB       ILE  86  -4.118  -5.113   4.073
  704   1HG1  ILE  86          2HG1      ILE  86  -4.573  -3.886   1.889
  705   2HG1  ILE  86          1HG1      ILE  86  -6.248  -4.404   2.035
  706   1HG2  ILE  86          1HG2      ILE  86  -3.534  -5.913   1.777
  707   2HG2  ILE  86          2HG2      ILE  86  -5.059  -6.792   1.730
  708   3HG2  ILE  86          3HG2      ILE  86  -3.825  -7.225   2.916
  709   1HD1  ILE  86          1HD1      ILE  86  -6.505  -2.502   3.243
  710   2HD1  ILE  86          2HD1      ILE  86  -4.780  -2.340   3.524
  711   3HD1  ILE  86          3HD1      ILE  86  -5.741  -3.399   4.551
  712    H    CYS  87           H        CYS  87  -7.141  -4.718   6.026
  713    HA   CYS  87           HA       CYS  87  -9.687  -4.233   4.663
  714   1HB   CYS  87          2HB       CYS  87  -8.571  -3.811   7.389
  715   2HB   CYS  87          1HB       CYS  87  -9.852  -2.707   6.886
  716    H    ILE  88           H        ILE  88 -10.227  -2.434   3.575
  717    HA   ILE  88           HA       ILE  88  -8.597   0.030   3.918
  718    HB   ILE  88           HB       ILE  88  -7.452  -0.490   2.011
  719   1HG1  ILE  88          2HG1      ILE  88 -10.106  -0.073   0.605
  720   2HG1  ILE  88          1HG1      ILE  88  -9.139   1.247   1.262
  721   1HG2  ILE  88          1HG2      ILE  88  -8.077  -2.258   0.470
  722   2HG2  ILE  88          2HG2      ILE  88  -9.698  -2.331   1.154
  723   3HG2  ILE  88          3HG2      ILE  88  -8.314  -2.839   2.115
  724   1HD1  ILE  88          1HD1      ILE  88  -7.500  -0.531  -0.352
  725   2HD1  ILE  88          2HD1      ILE  88  -7.751   1.206  -0.512
  726   3HD1  ILE  88          3HD1      ILE  88  -8.874   0.078  -1.273
  727    H    THR  89           H        THR  89  -9.762   1.958   3.224
  728    HA   THR  89           HA       THR  89 -12.708   1.457   2.987
  729    HB   THR  89           HB       THR  89 -11.093   3.415   4.506
  730    HG1  THR  89           1HG      THR  89 -12.720   1.676   5.116
  731   1HG2  THR  89          1HG2      THR  89 -12.006   5.017   2.953
  732   2HG2  THR  89          2HG2      THR  89 -12.988   5.098   4.413
  733   3HG2  THR  89          3HG2      THR  89 -13.587   4.237   2.997
  734    H    CYS  90           H        CYS  90 -13.817   2.341   1.295
  735    HA   CYS  90           HA       CYS  90 -12.258   3.984  -0.672
  736   1HB   CYS  90          2HB       CYS  90 -14.181   1.693  -1.115
  737   2HB   CYS  90          1HB       CYS  90 -13.820   2.858  -2.388
  738    H    VAL  91           H        VAL  91 -13.986   5.034  -2.269
  739    HA   VAL  91           HA       VAL  91 -16.381   5.939  -0.755
  740    HB   VAL  91           HB       VAL  91 -14.500   7.823  -2.191
  741   1HG1  VAL  91          1HG1      VAL  91 -16.622   8.488  -0.148
  742   2HG1  VAL  91          2HG1      VAL  91 -17.024   8.340  -1.857
  743   3HG1  VAL  91          3HG1      VAL  91 -15.862   9.555  -1.328
  744   1HG2  VAL  91          1HG2      VAL  91 -13.841   8.549   0.092
  745   2HG2  VAL  91          2HG2      VAL  91 -13.382   6.877  -0.230
  746   3HG2  VAL  91          3HG2      VAL  91 -14.793   7.227   0.767
  747    H    ASN  92           H        ASN  92 -15.768   7.870  -3.390
  748    HA   ASN  92           HA       ASN  92 -17.950   6.770  -4.921
  749   1HB   ASN  92          2HB       ASN  92 -15.857   8.877  -5.492
  750   2HB   ASN  92          1HB       ASN  92 -17.065   8.413  -6.690
  751   1HD2  ASN  92          1HD2      ASN  92 -16.730   9.731  -3.373
  752   2HD2  ASN  92          2HD2      ASN  92 -18.244  10.497  -3.356
  753    H    GLN  93           H        GLN  93 -15.944   4.811  -4.426
  754    HA   GLN  93           HA       GLN  93 -15.012   3.024  -5.620
  755   1HB   GLN  93          2HB       GLN  93 -15.453   4.513  -8.210
  756   2HB   GLN  93          1HB       GLN  93 -15.389   2.777  -7.937
  757   1HG   GLN  93          2HG       GLN  93 -17.644   2.775  -7.792
  758   2HG   GLN  93          1HG       GLN  93 -17.501   3.698  -6.299
  759   1HE2  GLN  93          1HE2      GLN  93 -16.838   4.676  -9.709
  760   2HE2  GLN  93          2HE2      GLN  93 -17.921   5.982  -9.698
  761    H    LEU  94           H        LEU  94 -13.362   4.772  -4.460
  762    HA   LEU  94           HA       LEU  94 -11.048   4.828  -6.305
  763   1HB   LEU  94          2HB       LEU  94 -12.446   7.228  -5.213
  764   2HB   LEU  94          1HB       LEU  94 -10.685   7.263  -5.187
  765    HG   LEU  94           HG       LEU  94 -12.084   6.418  -7.710
  766   1HD1  LEU  94          1HD1      LEU  94 -11.723   9.261  -6.735
  767   2HD1  LEU  94          2HD1      LEU  94 -13.240   8.471  -7.165
  768   3HD1  LEU  94          3HD1      LEU  94 -12.048   8.833  -8.414
  769   1HD2  LEU  94          1HD2      LEU  94  -9.634   8.139  -7.376
  770   2HD2  LEU  94          2HD2      LEU  94 -10.083   7.121  -8.744
  771   3HD2  LEU  94          3HD2      LEU  94  -9.535   6.384  -7.238
  772    HA   PRO  95           HA       PRO  95  -9.847   3.110  -2.197
  773   1HB   PRO  95          2HB       PRO  95  -7.313   2.841  -3.768
  774   2HB   PRO  95          1HB       PRO  95  -8.128   1.652  -2.737
  775   1HG   PRO  95          2HG       PRO  95  -8.243   1.471  -5.380
  776   2HG   PRO  95          1HG       PRO  95  -9.646   1.073  -4.370
  777   1HD   PRO  95          2HD       PRO  95  -9.170   3.495  -6.062
  778   2HD   PRO  95          1HD       PRO  95 -10.695   2.659  -5.686
  779    H    ILE  96           H        ILE  96  -9.289   4.596  -0.603
  780    HA   ILE  96           HA       ILE  96  -6.931   6.333  -1.133
  781    HB   ILE  96           HB       ILE  96  -8.117   8.270  -0.123
  782   1HG1  ILE  96          2HG1      ILE  96 -10.771   7.873  -0.351
  783   2HG1  ILE  96          1HG1      ILE  96 -10.304   6.217   0.020
  784   1HG2  ILE  96          1HG2      ILE  96  -9.908   7.535  -2.373
  785   2HG2  ILE  96          2HG2      ILE  96  -8.185   7.430  -2.711
  786   3HG2  ILE  96          3HG2      ILE  96  -8.881   8.950  -2.166
  787   1HD1  ILE  96          1HD1      ILE  96  -8.868   7.666   1.891
  788   2HD1  ILE  96          2HD1      ILE  96 -10.411   6.871   2.183
  789   3HD1  ILE  96          3HD1      ILE  96 -10.369   8.580   1.760
  790    H    HIS  97           H        HIS  97  -8.759   4.405   1.142
  791    HA   HIS  97           HA       HIS  97  -6.910   5.400   3.293
  792   1HB   HIS  97          2HB       HIS  97  -9.792   4.644   3.303
  793   2HB   HIS  97          1HB       HIS  97  -8.853   4.268   4.744
  794    HD1  HIS  97           1HD      HIS  97  -7.013   6.980   4.052
  795    HD2  HIS  97           2HD      HIS  97 -11.095   6.723   4.874
  796    HE1  HIS  97           1HE      HIS  97  -7.726   9.270   4.866
  797    HE2  HIS  97           2HE      HIS  97 -10.208   9.125   5.369
  798    H    PHE  98           H        PHE  98  -5.680   3.943   4.344
  799    HA   PHE  98           HA       PHE  98  -5.937   1.058   3.562
  800   1HB   PHE  98          2HB       PHE  98  -3.784   2.312   2.999
  801   2HB   PHE  98          1HB       PHE  98  -3.515   2.474   4.731
  802    HD1  PHE  98           1HD      PHE  98  -3.182   0.336   1.862
  803    HD2  PHE  98           2HD      PHE  98  -3.451   0.327   6.149
  804    HE1  PHE  98           1HE      PHE  98  -2.187  -1.933   1.921
  805    HE2  PHE  98           2HE      PHE  98  -2.458  -1.945   6.205
  806    HZ   PHE  98           HZ       PHE  98  -1.825  -3.075   4.091
  807    H    ALA  99           H        ALA  99  -7.274   0.278   5.198
  808    HA   ALA  99           HA       ALA  99  -7.351   1.187   7.874
  809   1HB   ALA  99          1HB       ALA  99  -8.786  -0.589   8.269
  810   2HB   ALA  99          2HB       ALA  99  -7.836  -1.706   7.295
  811   3HB   ALA  99          3HB       ALA  99  -8.870  -0.513   6.510
  812    H    GLY 100           H        GLY 100  -6.024  -2.025   7.007
  813   1HA   GLY 100          2HA       GLY 100  -3.467  -1.534   8.246
  814   2HA   GLY 100          1HA       GLY 100  -4.537  -2.395   9.352
  815    H    VAL 101           H        VAL 101  -2.804  -4.106   9.057
  816    HA   VAL 101           HA       VAL 101  -2.972  -5.558   6.474
  817    HB   VAL 101           HB       VAL 101  -1.284  -6.102   8.937
  818   1HG1  VAL 101          1HG1      VAL 101  -1.293  -7.269   6.140
  819   2HG1  VAL 101          2HG1      VAL 101  -1.587  -8.127   7.652
  820   3HG1  VAL 101          3HG1      VAL 101   0.022  -7.502   7.293
  821   1HG2  VAL 101          1HG2      VAL 101  -0.729  -3.961   7.836
  822   2HG2  VAL 101          2HG2      VAL 101  -0.595  -4.791   6.286
  823   3HG2  VAL 101          3HG2      VAL 101   0.550  -5.148   7.579
  824    H    GLY 102           H        GLY 102  -4.030  -7.509   6.269
  825   1HA   GLY 102          2HA       GLY 102  -5.124  -9.501   6.980
  826   2HA   GLY 102          1HA       GLY 102  -4.866  -9.015   8.655
  827    H    SER 103           H        SER 103  -7.130  -9.538   9.069
  828    HA   SER 103           HA       SER 103  -9.169  -7.887   7.716
  829   1HB   SER 103          2HB       SER 103 -10.778  -9.182   8.996
  830   2HB   SER 103          1HB       SER 103  -9.592 -10.287   8.306
  831    HG   SER 103           HG       SER 103  -8.682 -10.545  10.261
  832    H    CYS 104           H        CYS 104 -10.351  -6.244   8.752
  833    HA   CYS 104           HA       CYS 104  -9.000  -5.018  11.064
  834   1HB   CYS 104          2HB       CYS 104 -10.876  -3.254  10.653
  835   2HB   CYS 104          1HB       CYS 104  -9.601  -3.413   9.446
  836    HA   PRO 105           HA       PRO 105 -11.847  -6.597  14.064
  837   1HB   PRO 105          2HB       PRO 105 -11.858  -4.551  15.895
  838   2HB   PRO 105          1HB       PRO 105 -10.504  -5.682  15.702
  839   1HG   PRO 105          2HG       PRO 105 -10.814  -2.907  14.659
  840   2HG   PRO 105          1HG       PRO 105  -9.386  -3.702  15.346
  841   1HD   PRO 105          2HD       PRO 105  -9.730  -3.382  12.657
  842   2HD   PRO 105          1HD       PRO 105  -8.841  -4.754  13.353
  Start of MODEL   19
    1    HN   PCA   1           H        PCA   1  -6.674   9.137   1.169
    2    HA   PCA   1           HA       PCA   1  -7.564  11.514   1.845
    3   1HB   PCA   1          1HB       PCA   1  -5.895  12.908   2.494
    4   2HB   PCA   1          2HB       PCA   1  -5.073  12.696   0.967
    5   1HG   PCA   1          1HG       PCA   1  -4.777  11.366   3.473
    6   2HG   PCA   1          2HG       PCA   1  -3.678  11.467   2.080
    7    H    ASP   2           H        ASP   2  -6.219   9.790  -0.686
    8    HA   ASP   2           HA       ASP   2  -7.943  10.916  -2.635
    9   1HB   ASP   2          2HB       ASP   2  -5.324  12.275  -2.288
   10   2HB   ASP   2          1HB       ASP   2  -5.737  11.862  -3.951
   11    H    TRP   3           H        TRP   3  -7.997   9.470  -4.343
   12    HA   TRP   3           HA       TRP   3  -6.591   7.025  -4.163
   13   1HB   TRP   3          2HB       TRP   3  -8.538   6.906  -5.437
   14   2HB   TRP   3          1HB       TRP   3  -8.169   8.380  -6.323
   15    HD1  TRP   3           HD       TRP   3  -8.023   7.657  -8.737
   16    HE1  TRP   3           1HE      TRP   3  -6.710   5.881 -10.060
   17    HE3  TRP   3           3HE      TRP   3  -5.860   5.069  -4.879
   18    HZ2  TRP   3           2HZ      TRP   3  -4.989   3.665  -9.563
   19    HZ3  TRP   3           3HZ      TRP   3  -4.395   3.133  -5.345
   20    HH2  TRP   3           HH       TRP   3  -3.955   2.428  -7.680
   21    H    GLU   4           H        GLU   4  -5.746  10.033  -5.767
   22    HA   GLU   4           HA       GLU   4  -3.616   9.011  -7.394
   23   1HB   GLU   4          2HB       GLU   4  -4.125  11.732  -6.164
   24   2HB   GLU   4          1HB       GLU   4  -2.741  11.407  -7.208
   25   1HG   GLU   4          2HG       GLU   4  -4.642  12.330  -8.497
   26   2HG   GLU   4          1HG       GLU   4  -4.253  10.688  -9.011
   27    H    THR   5           H        THR   5  -3.072  11.036  -4.483
   28    HA   THR   5           HA       THR   5  -0.446  10.166  -4.023
   29    HB   THR   5           HB       THR   5  -1.456  12.017  -2.772
   30    HG1  THR   5           1HG      THR   5   0.301  10.759  -1.885
   31   1HG2  THR   5          1HG2      THR   5  -2.911  10.026  -1.053
   32   2HG2  THR   5          2HG2      THR   5  -3.674  10.663  -2.509
   33   3HG2  THR   5          3HG2      THR   5  -3.191  11.759  -1.216
   34    H    PHE   6           H        PHE   6  -3.455   8.809  -2.632
   35    HA   PHE   6           HA       PHE   6  -2.335   6.703  -1.163
   36   1HB   PHE   6          2HB       PHE   6  -4.801   7.342  -1.393
   37   2HB   PHE   6          1HB       PHE   6  -4.806   6.396  -2.880
   38    HD1  PHE   6           1HD      PHE   6  -5.031   4.046  -2.815
   39    HD2  PHE   6           2HD      PHE   6  -4.015   6.194   0.763
   40    HE1  PHE   6           1HE      PHE   6  -5.307   1.969  -1.492
   41    HE2  PHE   6           2HE      PHE   6  -4.289   4.118   2.085
   42    HZ   PHE   6           HZ       PHE   6  -4.936   2.003   0.960
   43    H    GLN   7           H        GLN   7  -2.444   7.189  -4.588
   44    HA   GLN   7           HA       GLN   7  -1.776   4.367  -5.165
   45   1HB   GLN   7          2HB       GLN   7  -3.257   5.625  -6.720
   46   2HB   GLN   7          1HB       GLN   7  -1.946   6.758  -7.029
   47   1HG   GLN   7          2HG       GLN   7  -0.559   4.961  -7.930
   48   2HG   GLN   7          1HG       GLN   7  -1.817   3.781  -7.561
   49   1HE2  GLN   7          1HE2      GLN   7  -2.052   7.068  -9.021
   50   2HE2  GLN   7          2HE2      GLN   7  -2.834   6.545 -10.436
   51    H    LYS   8           H        LYS   8  -0.228   7.376  -4.519
   52    HA   LYS   8           HA       LYS   8   2.287   6.589  -5.850
   53   1HB   LYS   8          2HB       LYS   8   1.745   8.979  -4.075
   54   2HB   LYS   8          1HB       LYS   8   3.088   8.773  -5.198
   55   1HG   LYS   8          2HG       LYS   8   0.269   8.584  -6.232
   56   2HG   LYS   8          1HG       LYS   8   0.969  10.170  -5.928
   57   1HD   LYS   8          2HD       LYS   8   2.904   9.563  -7.376
   58   2HD   LYS   8          1HD       LYS   8   2.125   8.020  -7.727
   59   1HE   LYS   8          2HE       LYS   8   1.284  10.791  -8.548
   60   2HE   LYS   8          1HE       LYS   8   1.449   9.343  -9.541
   61   1HZ   LYS   8          1HZ       LYS   8  -0.831   9.596  -9.262
   62   2HZ   LYS   8          2HZ       LYS   8  -0.693  10.026  -7.624
   63   3HZ   LYS   8          3HZ       LYS   8  -0.424   8.420  -8.110
   64    H    LYS   9           H        LYS   9   1.293   7.323  -2.462
   65    HA   LYS   9           HA       LYS   9   3.854   6.211  -1.519
   66   1HB   LYS   9          2HB       LYS   9   2.880   6.843   0.757
   67   2HB   LYS   9          1HB       LYS   9   3.185   8.166  -0.366
   68   1HG   LYS   9          2HG       LYS   9   0.901   8.434  -0.868
   69   2HG   LYS   9          1HG       LYS   9   0.488   6.825  -0.275
   70   1HD   LYS   9          2HD       LYS   9   0.725   7.474   1.993
   71   2HD   LYS   9          1HD       LYS   9   1.603   8.943   1.566
   72   1HE   LYS   9          2HE       LYS   9  -0.886   9.185   2.234
   73   2HE   LYS   9          1HE       LYS   9  -0.344  10.021   0.780
   74   1HZ   LYS   9          1HZ       LYS   9  -2.389   8.189   0.971
   75   2HZ   LYS   9          2HZ       LYS   9  -1.129   7.360   0.187
   76   3HZ   LYS   9          3HZ       LYS   9  -1.716   8.821  -0.453
   77    H    HIS  10           H        HIS  10   0.401   5.282  -1.350
   78    HA   HIS  10           HA       HIS  10   1.087   2.979   0.353
   79   1HB   HIS  10          2HB       HIS  10  -1.462   4.096  -0.766
   80   2HB   HIS  10          1HB       HIS  10  -1.432   2.446  -0.149
   81    HD1  HIS  10           1HD      HIS  10  -0.439   2.226   2.395
   82    HD2  HIS  10           2HD      HIS  10  -1.723   6.017   1.218
   83    HE1  HIS  10           1HE      HIS  10  -0.757   3.569   4.521
   84    HE2  HIS  10           2HE      HIS  10  -1.539   5.876   3.816
   85    H    LEU  11           H        LEU  11   1.162   3.535  -3.005
   86    HA   LEU  11           HA       LEU  11   1.044   0.565  -3.458
   87   1HB   LEU  11          2HB       LEU  11  -0.377   2.757  -4.811
   88   2HB   LEU  11          1HB       LEU  11   0.456   1.680  -5.923
   89    HG   LEU  11           HG       LEU  11  -0.641  -0.249  -4.654
   90   1HD1  LEU  11          1HD1      LEU  11  -2.773   0.423  -3.489
   91   2HD1  LEU  11          2HD1      LEU  11  -2.233   2.098  -3.576
   92   3HD1  LEU  11          3HD1      LEU  11  -1.314   0.923  -2.643
   93   1HD2  LEU  11          1HD2      LEU  11  -2.889   0.219  -5.782
   94   2HD2  LEU  11          2HD2      LEU  11  -1.466   0.278  -6.821
   95   3HD2  LEU  11          3HD2      LEU  11  -2.209   1.776  -6.255
   96    H    THR  12           H        THR  12   2.448  -0.234  -5.123
   97    HA   THR  12           HA       THR  12   4.504   1.677  -6.121
   98    HB   THR  12           HB       THR  12   5.568   0.803  -4.146
   99    HG1  THR  12           1HG      THR  12   6.721  -0.955  -5.899
  100   1HG2  THR  12          1HG2      THR  12   5.684  -2.008  -4.749
  101   2HG2  THR  12          2HG2      THR  12   3.997  -1.505  -4.675
  102   3HG2  THR  12          3HG2      THR  12   5.063  -1.221  -3.302
  103    H    ASP  13           H        ASP  13   6.143  -0.055  -7.470
  104    HA   ASP  13           HA       ASP  13   4.232  -1.496  -9.279
  105   1HB   ASP  13          2HB       ASP  13   5.862  -0.941 -11.105
  106   2HB   ASP  13          1HB       ASP  13   5.086   0.474 -10.392
  107    H    THR  14           H        THR  14   6.133  -2.437  -6.956
  108    HA   THR  14           HA       THR  14   6.977  -4.840  -8.412
  109    HB   THR  14           HB       THR  14   8.864  -3.278  -8.823
  110    HG1  THR  14           1HG      THR  14  10.387  -4.741  -8.233
  111   1HG2  THR  14          1HG2      THR  14   8.521  -1.968  -6.713
  112   2HG2  THR  14          2HG2      THR  14  10.195  -2.455  -6.973
  113   3HG2  THR  14          3HG2      THR  14   9.193  -3.328  -5.814
  114    H    LYS  15           H        LYS  15   7.481  -6.580  -6.993
  115    HA   LYS  15           HA       LYS  15   6.224  -6.405  -4.383
  116   1HB   LYS  15          2HB       LYS  15   7.345  -8.777  -4.201
  117   2HB   LYS  15          1HB       LYS  15   6.023  -8.534  -5.344
  118   1HG   LYS  15          2HG       LYS  15   7.494  -8.391  -7.196
  119   2HG   LYS  15          1HG       LYS  15   8.901  -8.137  -6.165
  120   1HD   LYS  15          2HD       LYS  15   8.849 -10.445  -7.048
  121   2HD   LYS  15          1HD       LYS  15   8.691 -10.429  -5.291
  122   1HE   LYS  15          2HE       LYS  15   7.064 -11.947  -6.569
  123   2HE   LYS  15          1HE       LYS  15   6.352 -10.845  -5.391
  124   1HZ   LYS  15          1HZ       LYS  15   5.339 -10.978  -7.731
  125   2HZ   LYS  15          2HZ       LYS  15   6.665 -10.027  -8.205
  126   3HZ   LYS  15          3HZ       LYS  15   5.574  -9.448  -7.037
  127    H    LYS  16           H        LYS  16   9.393  -5.860  -5.598
  128    HA   LYS  16           HA       LYS  16  10.480  -5.813  -2.805
  129   1HB   LYS  16          2HB       LYS  16  11.982  -6.237  -5.407
  130   2HB   LYS  16          1HB       LYS  16  12.692  -6.228  -3.793
  131   1HG   LYS  16          2HG       LYS  16  11.714  -8.266  -3.199
  132   2HG   LYS  16          1HG       LYS  16  10.427  -8.113  -4.394
  133   1HD   LYS  16          2HD       LYS  16  11.997  -9.807  -5.151
  134   2HD   LYS  16          1HD       LYS  16  12.136  -8.396  -6.201
  135   1HE   LYS  16          2HE       LYS  16  14.150  -7.683  -5.147
  136   2HE   LYS  16          1HE       LYS  16  13.919  -8.788  -3.791
  137   1HZ   LYS  16          1HZ       LYS  16  14.738  -9.393  -6.555
  138   2HZ   LYS  16          2HZ       LYS  16  13.991 -10.588  -5.607
  139   3HZ   LYS  16          3HZ       LYS  16  15.451  -9.885  -5.097
  140    H    VAL  17           H        VAL  17   9.285  -3.582  -3.123
  141    HA   VAL  17           HA       VAL  17  10.241  -1.553  -4.809
  142    HB   VAL  17           HB       VAL  17   9.538   0.047  -3.064
  143   1HG1  VAL  17          1HG1      VAL  17   7.933  -1.376  -4.532
  144   2HG1  VAL  17          2HG1      VAL  17   7.262  -0.487  -3.165
  145   3HG1  VAL  17          3HG1      VAL  17   7.568  -2.216  -3.029
  146   1HG2  VAL  17          1HG2      VAL  17   8.496  -1.198  -0.971
  147   2HG2  VAL  17          2HG2      VAL  17  10.214  -0.808  -1.001
  148   3HG2  VAL  17          3HG2      VAL  17   9.675  -2.443  -1.381
  149    H    LYS  18           H        LYS  18  11.596   0.327  -4.116
  150    HA   LYS  18           HA       LYS  18  14.105  -0.708  -2.914
  151   1HB   LYS  18          2HB       LYS  18  15.017   1.525  -3.802
  152   2HB   LYS  18          1HB       LYS  18  14.526   0.345  -5.017
  153   1HG   LYS  18          2HG       LYS  18  12.359   1.463  -5.270
  154   2HG   LYS  18          1HG       LYS  18  12.784   2.612  -4.003
  155   1HD   LYS  18          2HD       LYS  18  13.351   3.842  -5.894
  156   2HD   LYS  18          1HD       LYS  18  14.892   3.059  -5.548
  157   1HE   LYS  18          2HE       LYS  18  14.420   2.793  -7.912
  158   2HE   LYS  18          1HE       LYS  18  14.236   1.221  -7.136
  159   1HZ   LYS  18          1HZ       LYS  18  12.046   3.108  -7.814
  160   2HZ   LYS  18          2HZ       LYS  18  11.843   1.630  -7.000
  161   3HZ   LYS  18          3HZ       LYS  18  12.393   1.649  -8.608
  162    H    CYS  19           H        CYS  19  12.589  -0.580  -0.912
  163    HA   CYS  19           HA       CYS  19  11.590   1.558   0.387
  164   1HB   CYS  19          2HB       CYS  19  13.427  -0.577   1.471
  165   2HB   CYS  19          1HB       CYS  19  12.653   0.608   2.523
  166    H    ASP  20           H        ASP  20  15.022   1.100  -0.271
  167    HA   ASP  20           HA       ASP  20  16.178   2.954   1.491
  168   1HB   ASP  20          2HB       ASP  20  17.575   1.589   0.058
  169   2HB   ASP  20          1HB       ASP  20  16.892   2.333  -1.389
  170    H    VAL  21           H        VAL  21  14.549   3.502  -1.591
  171    HA   VAL  21           HA       VAL  21  14.751   6.445  -1.149
  172    HB   VAL  21           HB       VAL  21  13.567   5.345  -3.649
  173   1HG1  VAL  21          1HG1      VAL  21  14.197   7.820  -2.958
  174   2HG1  VAL  21          2HG1      VAL  21  14.469   7.270  -4.610
  175   3HG1  VAL  21          3HG1      VAL  21  15.811   7.334  -3.468
  176   1HG2  VAL  21          1HG2      VAL  21  16.495   5.053  -2.924
  177   2HG2  VAL  21          2HG2      VAL  21  15.880   4.945  -4.573
  178   3HG2  VAL  21          3HG2      VAL  21  15.376   3.764  -3.365
  179    H    GLU  22           H        GLU  22  12.521   3.736  -1.498
  180    HA   GLU  22           HA       GLU  22  10.104   5.268  -1.652
  181   1HB   GLU  22          2HB       GLU  22  10.776   2.531  -1.579
  182   2HB   GLU  22          1HB       GLU  22   9.751   2.795  -0.169
  183   1HG   GLU  22          2HG       GLU  22   8.169   4.054  -1.762
  184   2HG   GLU  22          1HG       GLU  22   9.102   3.330  -3.072
  185    H    MET  23           H        MET  23  12.414   5.241   0.643
  186    HA   MET  23           HA       MET  23  10.491   6.030   2.800
  187   1HB   MET  23          2HB       MET  23  13.150   4.629   3.205
  188   2HB   MET  23          1HB       MET  23  11.970   5.034   4.450
  189   1HG   MET  23          2HG       MET  23  11.200   3.287   2.115
  190   2HG   MET  23          1HG       MET  23  11.995   2.602   3.528
  191   1HE   MET  23          1HE       MET  23  11.258   2.373   5.657
  192   2HE   MET  23          2HE       MET  23   9.665   2.681   6.338
  193   3HE   MET  23          3HE       MET  23  10.804   4.010   6.150
  194    H    ALA  24           H        ALA  24  13.867   6.297   1.643
  195    HA   ALA  24           HA       ALA  24  14.360   8.691   3.218
  196   1HB   ALA  24          1HB       ALA  24  16.103   7.013   2.365
  197   2HB   ALA  24          2HB       ALA  24  16.505   8.721   2.190
  198   3HB   ALA  24          3HB       ALA  24  15.934   7.802   0.797
  199    H    LYS  25           H        LYS  25  12.344   8.265   0.697
  200    HA   LYS  25           HA       LYS  25  12.965  10.271  -1.197
  201   1HB   LYS  25          2HB       LYS  25  10.519   8.876  -0.270
  202   2HB   LYS  25          1HB       LYS  25  10.231  10.417  -1.067
  203   1HG   LYS  25          2HG       LYS  25  10.961   9.667  -3.111
  204   2HG   LYS  25          1HG       LYS  25  12.181   8.614  -2.410
  205   1HD   LYS  25          2HD       LYS  25  10.778   6.922  -2.966
  206   2HD   LYS  25          1HD       LYS  25   9.853   7.411  -1.549
  207   1HE   LYS  25          2HE       LYS  25   9.388   8.217  -4.428
  208   2HE   LYS  25          1HE       LYS  25   8.295   7.333  -3.363
  209   1HZ   LYS  25          1HZ       LYS  25   9.168  10.152  -3.023
  210   2HZ   LYS  25          2HZ       LYS  25   8.160   9.302  -1.950
  211   3HZ   LYS  25          3HZ       LYS  25   7.634   9.636  -3.531
  212    H    ALA  26           H        ALA  26  10.825  12.113  -1.103
  213    HA   ALA  26           HA       ALA  26  11.706  13.832   1.168
  214   1HB   ALA  26          1HB       ALA  26  10.215  14.573  -1.366
  215   2HB   ALA  26          2HB       ALA  26  11.954  14.740  -1.131
  216   3HB   ALA  26          3HB       ALA  26  10.837  15.698  -0.159
  217    H    LEU  27           H        LEU  27   8.988  12.037  -0.009
  218    HA   LEU  27           HA       LEU  27   7.084  13.604   1.636
  219   1HB   LEU  27          2HB       LEU  27   5.349  12.344   0.603
  220   2HB   LEU  27          1HB       LEU  27   6.511  12.684  -0.674
  221    HG   LEU  27           HG       LEU  27   7.536  10.341   0.159
  222   1HD1  LEU  27          1HD1      LEU  27   6.106   9.582   1.822
  223   2HD1  LEU  27          2HD1      LEU  27   5.309   8.890   0.412
  224   3HD1  LEU  27          3HD1      LEU  27   4.695  10.377   1.127
  225   1HD2  LEU  27          1HD2      LEU  27   6.779  10.907  -2.137
  226   2HD2  LEU  27          2HD2      LEU  27   5.113  10.588  -1.655
  227   3HD2  LEU  27          3HD2      LEU  27   6.291   9.276  -1.678
  228    H    PHE  28           H        PHE  28   9.294  11.212   2.195
  229    HA   PHE  28           HA       PHE  28   7.631  10.004   4.379
  230   1HB   PHE  28          2HB       PHE  28   9.830   8.879   2.654
  231   2HB   PHE  28          1HB       PHE  28   9.496   8.181   4.234
  232    HD1  PHE  28           1HD      PHE  28   8.758   7.875   0.847
  233    HD2  PHE  28           2HD      PHE  28   6.817   7.886   4.680
  234    HE1  PHE  28           1HE      PHE  28   6.861   6.596  -0.108
  235    HE2  PHE  28           2HE      PHE  28   4.921   6.611   3.723
  236    HZ   PHE  28           HZ       PHE  28   4.944   5.964   1.331
  237    H    ASP  29           H        ASP  29  10.945  11.025   3.518
  238    HA   ASP  29           HA       ASP  29  12.531  12.149   4.839
  239   1HB   ASP  29          2HB       ASP  29  10.729  12.052   7.243
  240   2HB   ASP  29          1HB       ASP  29  11.864  13.306   6.745
  241    H    CYS  30           H        CYS  30  12.519   9.319   4.578
  242    HA   CYS  30           HA       CYS  30  13.462   7.405   5.561
  243   1HB   CYS  30          2HB       CYS  30  15.316   9.128   5.767
  244   2HB   CYS  30          1HB       CYS  30  14.778   9.395   7.425
  245    H    LYS  31           H        LYS  31  11.042   7.289   6.438
  246    HA   LYS  31           HA       LYS  31  10.557   7.820   9.216
  247   1HB   LYS  31          2HB       LYS  31   9.268   5.601   7.612
  248   2HB   LYS  31          1HB       LYS  31   8.587   6.473   8.979
  249   1HG   LYS  31          2HG       LYS  31   9.354   7.884   6.423
  250   2HG   LYS  31          1HG       LYS  31   7.773   7.141   6.626
  251   1HD   LYS  31          2HD       LYS  31   8.954   9.271   8.431
  252   2HD   LYS  31          1HD       LYS  31   7.722   9.540   7.203
  253   1HE   LYS  31          2HE       LYS  31   6.298   9.230   8.970
  254   2HE   LYS  31          1HE       LYS  31   6.546   7.526   8.591
  255   1HZ   LYS  31          1HZ       LYS  31   8.562   8.711  10.295
  256   2HZ   LYS  31          2HZ       LYS  31   7.773   7.212  10.421
  257   3HZ   LYS  31          3HZ       LYS  31   7.015   8.625  10.985
  258    H    LYS  32           H        LYS  32   9.539   4.987   9.650
  259    HA   LYS  32           HA       LYS  32  12.130   3.624  10.245
  260   1HB   LYS  32          2HB       LYS  32  11.623   4.405  12.385
  261   2HB   LYS  32          1HB       LYS  32   9.884   4.357  12.100
  262   1HG   LYS  32          2HG       LYS  32   9.778   2.016  12.397
  263   2HG   LYS  32          1HG       LYS  32  11.520   1.826  12.193
  264   1HD   LYS  32          2HD       LYS  32  11.945   2.937  14.312
  265   2HD   LYS  32          1HD       LYS  32  10.231   3.314  14.497
  266   1HE   LYS  32          2HE       LYS  32   9.683   0.940  14.640
  267   2HE   LYS  32          1HE       LYS  32  11.367   0.507  14.343
  268   1HZ   LYS  32          1HZ       LYS  32  11.383   0.459  16.590
  269   2HZ   LYS  32          2HZ       LYS  32  10.118   1.581  16.750
  270   3HZ   LYS  32          3HZ       LYS  32  11.692   2.116  16.398
  271    H    THR  33           H        THR  33   8.671   3.430   9.618
  272    HA   THR  33           HA       THR  33   9.060   0.674   8.580
  273    HB   THR  33           HB       THR  33   8.222   0.215  10.783
  274    HG1  THR  33           1HG      THR  33   6.694  -0.119   8.598
  275   1HG2  THR  33          1HG2      THR  33   6.203   1.350  11.666
  276   2HG2  THR  33          2HG2      THR  33   6.163   2.368  10.227
  277   3HG2  THR  33          3HG2      THR  33   7.512   2.491  11.356
  278    H    ASN  34           H        ASN  34   7.485   0.147   6.926
  279    HA   ASN  34           HA       ASN  34   5.400   2.093   6.266
  280   1HB   ASN  34          2HB       ASN  34   7.588   3.069   5.395
  281   2HB   ASN  34          1HB       ASN  34   7.624   1.724   4.255
  282   1HD2  ASN  34          1HD2      ASN  34   5.461   1.472   2.954
  283   2HD2  ASN  34          2HD2      ASN  34   4.716   2.911   2.448
  284    H    THR  35           H        THR  35   4.003   1.339   4.593
  285    HA   THR  35           HA       THR  35   4.542  -1.405   3.562
  286    HB   THR  35           HB       THR  35   2.016  -0.485   4.966
  287    HG1  THR  35           1HG      THR  35   3.259  -1.238   6.516
  288   1HG2  THR  35          1HG2      THR  35   2.635  -2.931   3.308
  289   2HG2  THR  35          2HG2      THR  35   1.286  -1.808   3.132
  290   3HG2  THR  35          3HG2      THR  35   1.340  -2.915   4.505
  291    H    PHE  36           H        PHE  36   3.424  -1.870   1.597
  292    HA   PHE  36           HA       PHE  36   1.869   0.355   0.361
  293   1HB   PHE  36          2HB       PHE  36   3.923  -0.993  -1.359
  294   2HB   PHE  36          1HB       PHE  36   3.222   0.610  -1.517
  295    HD1  PHE  36           1HD      PHE  36   4.528   2.447  -0.933
  296    HD2  PHE  36           2HD      PHE  36   5.356  -1.366   0.846
  297    HE1  PHE  36           1HE      PHE  36   6.514   3.407   0.197
  298    HE2  PHE  36           2HE      PHE  36   7.338  -0.411   1.980
  299    HZ   PHE  36           HZ       PHE  36   7.922   1.974   1.648
  300    H    ILE  37           H        ILE  37   1.264  -0.663  -2.051
  301    HA   ILE  37           HA       ILE  37   0.470  -3.505  -1.558
  302    HB   ILE  37           HB       ILE  37  -1.254  -1.366  -2.835
  303   1HG1  ILE  37          2HG1      ILE  37  -1.882  -2.697  -0.210
  304   2HG1  ILE  37          1HG1      ILE  37  -0.760  -1.343  -0.225
  305   1HG2  ILE  37          1HG2      ILE  37  -3.015  -3.152  -2.539
  306   2HG2  ILE  37          2HG2      ILE  37  -1.721  -4.267  -2.104
  307   3HG2  ILE  37          3HG2      ILE  37  -1.763  -3.552  -3.715
  308   1HD1  ILE  37          1HD1      ILE  37  -3.297  -0.982  -1.738
  309   2HD1  ILE  37          2HD1      ILE  37  -2.377   0.180  -0.782
  310   3HD1  ILE  37          3HD1      ILE  37  -3.409  -1.000   0.022
  311    H    TYR  38           H        TYR  38   1.072  -4.844  -3.199
  312    HA   TYR  38           HA       TYR  38   2.113  -3.579  -5.684
  313   1HB   TYR  38          2HB       TYR  38   3.514  -5.285  -4.601
  314   2HB   TYR  38          1HB       TYR  38   2.201  -6.454  -4.721
  315    HD1  TYR  38           1HD      TYR  38   3.989  -4.036  -6.976
  316    HD2  TYR  38           2HD      TYR  38   2.327  -7.967  -6.480
  317    HE1  TYR  38           1HE      TYR  38   4.726  -4.638  -9.267
  318    HE2  TYR  38           2HE      TYR  38   3.065  -8.568  -8.770
  319    HH   TYR  38           HH       TYR  38   4.493  -7.926 -10.467
  320    H    ALA  39           H        ALA  39   0.250  -3.046  -6.863
  321    HA   ALA  39           HA       ALA  39  -1.152  -5.331  -8.090
  322   1HB   ALA  39          1HB       ALA  39  -2.557  -4.915  -6.137
  323   2HB   ALA  39          2HB       ALA  39  -3.399  -4.361  -7.584
  324   3HB   ALA  39          3HB       ALA  39  -2.622  -3.194  -6.514
  325    H    LEU  40           H        LEU  40  -2.349  -4.654 -10.028
  326    HA   LEU  40           HA       LEU  40  -1.110  -2.276 -11.239
  327   1HB   LEU  40          2HB       LEU  40  -1.469  -3.292 -13.253
  328   2HB   LEU  40          1HB       LEU  40  -1.620  -4.726 -12.247
  329    HG   LEU  40           HG       LEU  40  -4.179  -3.933 -12.142
  330   1HD1  LEU  40          1HD1      LEU  40  -4.904  -2.830 -14.123
  331   2HD1  LEU  40          2HD1      LEU  40  -3.342  -3.045 -14.908
  332   3HD1  LEU  40          3HD1      LEU  40  -3.511  -1.901 -13.581
  333   1HD2  LEU  40          1HD2      LEU  40  -2.881  -5.364 -14.481
  334   2HD2  LEU  40          2HD2      LEU  40  -4.598  -5.431 -14.083
  335   3HD2  LEU  40          3HD2      LEU  40  -3.408  -6.107 -12.971
  336    HA   PRO  41           HA       PRO  41  -4.197   0.770 -10.526
  337   1HB   PRO  41          2HB       PRO  41  -4.428   0.985 -13.496
  338   2HB   PRO  41          1HB       PRO  41  -4.148   2.254 -12.291
  339   1HG   PRO  41          2HG       PRO  41  -2.206   1.160 -13.885
  340   2HG   PRO  41          1HG       PRO  41  -1.909   1.969 -12.340
  341   1HD   PRO  41          2HD       PRO  41  -1.574  -0.842 -12.986
  342   2HD   PRO  41          1HD       PRO  41  -1.154   0.003 -11.483
  343    H    GLY  42           H        GLY  42  -5.057  -1.099 -13.463
  344   1HA   GLY  42          2HA       GLY  42  -7.837  -0.819 -13.319
  345   2HA   GLY  42          1HA       GLY  42  -7.053  -2.245 -13.989
  346    H    ARG  43           H        ARG  43  -5.938  -3.479 -11.863
  347    HA   ARG  43           HA       ARG  43  -8.139  -4.718 -10.550
  348   1HB   ARG  43          2HB       ARG  43  -5.179  -4.706  -9.920
  349   2HB   ARG  43          1HB       ARG  43  -6.347  -5.714  -9.066
  350   1HG   ARG  43          2HG       ARG  43  -7.060  -6.568 -11.385
  351   2HG   ARG  43          1HG       ARG  43  -5.584  -5.815 -11.988
  352   1HD   ARG  43          2HD       ARG  43  -5.102  -8.140 -11.484
  353   2HD   ARG  43          1HD       ARG  43  -4.289  -7.130 -10.287
  354    HE   ARG  43           HE       ARG  43  -6.792  -7.758  -9.183
  355   1HH1  ARG  43          1HH2      ARG  43  -3.987  -9.378 -10.361
  356   2HH1  ARG  43          2HH2      ARG  43  -4.153 -10.728  -9.289
  357   1HH2  ARG  43          1HH1      ARG  43  -7.026  -9.510  -7.776
  358   2HH2  ARG  43          2HH1      ARG  43  -5.873 -10.803  -7.825
  359    H    VAL  44           H        VAL  44  -6.124  -1.975  -9.656
  360    HA   VAL  44           HA       VAL  44  -6.957  -1.949  -6.873
  361    HB   VAL  44           HB       VAL  44  -5.785   0.261  -8.588
  362   1HG1  VAL  44          1HG1      VAL  44  -5.032   1.011  -6.207
  363   2HG1  VAL  44          2HG1      VAL  44  -6.338  -0.027  -5.637
  364   3HG1  VAL  44          3HG1      VAL  44  -6.693   1.335  -6.702
  365   1HG2  VAL  44          1HG2      VAL  44  -4.333  -1.441  -6.559
  366   2HG2  VAL  44          2HG2      VAL  44  -3.654  -0.453  -7.852
  367   3HG2  VAL  44          3HG2      VAL  44  -4.483  -1.960  -8.237
  368    H    LYS  45           H        LYS  45  -7.736   0.233  -9.606
  369    HA   LYS  45           HA       LYS  45  -9.892   1.529  -8.217
  370   1HB   LYS  45          2HB       LYS  45 -10.493   2.447 -10.399
  371   2HB   LYS  45          1HB       LYS  45  -8.738   2.475 -10.224
  372   1HG   LYS  45          2HG       LYS  45  -8.788   0.161 -11.390
  373   2HG   LYS  45          1HG       LYS  45 -10.430   0.593 -11.866
  374   1HD   LYS  45          2HD       LYS  45  -7.901   2.143 -12.490
  375   2HD   LYS  45          1HD       LYS  45  -8.907   1.261 -13.640
  376   1HE   LYS  45          2HE       LYS  45  -9.595   3.776 -12.113
  377   2HE   LYS  45          1HE       LYS  45  -9.564   3.539 -13.860
  378   1HZ   LYS  45          1HZ       LYS  45 -11.785   3.349 -13.438
  379   2HZ   LYS  45          2HZ       LYS  45 -11.562   2.670 -11.897
  380   3HZ   LYS  45          3HZ       LYS  45 -11.328   1.723 -13.288
  381    H    ALA  46           H        ALA  46  -9.606  -1.496  -9.820
  382    HA   ALA  46           HA       ALA  46 -12.486  -1.825 -10.294
  383   1HB   ALA  46          1HB       ALA  46 -10.879  -2.868 -11.831
  384   2HB   ALA  46          2HB       ALA  46 -11.816  -4.114 -11.010
  385   3HB   ALA  46          3HB       ALA  46 -10.168  -3.771 -10.494
  386    H    LEU  47           H        LEU  47 -10.194  -2.468  -7.765
  387    HA   LEU  47           HA       LEU  47 -11.732  -4.563  -6.472
  388   1HB   LEU  47          2HB       LEU  47  -9.350  -2.893  -5.778
  389   2HB   LEU  47          1HB       LEU  47 -10.216  -3.664  -4.450
  390    HG   LEU  47           HG       LEU  47  -9.458  -5.274  -6.883
  391   1HD1  LEU  47          1HD1      LEU  47  -7.687  -4.778  -4.470
  392   2HD1  LEU  47          2HD1      LEU  47  -7.397  -4.122  -6.081
  393   3HD1  LEU  47          3HD1      LEU  47  -7.338  -5.864  -5.815
  394   1HD2  LEU  47          1HD2      LEU  47  -9.424  -7.089  -5.184
  395   2HD2  LEU  47          2HD2      LEU  47 -10.983  -6.269  -5.223
  396   3HD2  LEU  47          3HD2      LEU  47  -9.832  -5.912  -3.936
  397    H    CYS  48           H        CYS  48 -12.469  -1.378  -6.935
  398    HA   CYS  48           HA       CYS  48 -14.059  -1.287  -4.395
  399   1HB   CYS  48          2HB       CYS  48 -12.536   0.913  -5.802
  400   2HB   CYS  48          1HB       CYS  48 -13.856   1.264  -4.689
  401    H    LYS  49           H        LYS  49 -14.504  -2.047  -7.382
  402    HA   LYS  49           HA       LYS  49 -16.377  -0.078  -8.375
  403   1HB   LYS  49          2HB       LYS  49 -16.866  -1.705 -10.099
  404   2HB   LYS  49          1HB       LYS  49 -15.127  -1.729  -9.798
  405   1HG   LYS  49          2HG       LYS  49 -15.577  -3.640  -8.162
  406   2HG   LYS  49          1HG       LYS  49 -17.201  -3.713  -8.844
  407   1HD   LYS  49          2HD       LYS  49 -16.089  -3.900 -11.133
  408   2HD   LYS  49          1HD       LYS  49 -14.574  -4.167 -10.271
  409   1HE   LYS  49          2HE       LYS  49 -15.643  -6.314 -10.849
  410   2HE   LYS  49          1HE       LYS  49 -15.577  -6.094  -9.099
  411   1HZ   LYS  49          1HZ       LYS  49 -17.930  -5.423 -10.780
  412   2HZ   LYS  49          2HZ       LYS  49 -17.847  -5.400  -9.083
  413   3HZ   LYS  49          3HZ       LYS  49 -17.756  -6.874  -9.922
  414    H    ASN  50           H        ASN  50 -18.594  -0.017  -8.158
  415    HA   ASN  50           HA       ASN  50 -20.751  -0.621  -7.450
  416   1HB   ASN  50          2HB       ASN  50 -19.732  -3.226  -6.344
  417   2HB   ASN  50          1HB       ASN  50 -21.293  -2.858  -7.072
  418   1HD2  ASN  50          1HD2      ASN  50 -19.693  -1.314  -9.265
  419   2HD2  ASN  50          2HD2      ASN  50 -19.180  -2.550 -10.309
  420    H    ILE  51           H        ILE  51 -18.254   0.206  -5.626
  421    HA   ILE  51           HA       ILE  51 -19.415  -0.478  -2.993
  422    HB   ILE  51           HB       ILE  51 -16.968   1.150  -3.733
  423   1HG1  ILE  51          2HG1      ILE  51 -16.702  -1.205  -4.326
  424   2HG1  ILE  51          1HG1      ILE  51 -15.740  -0.855  -2.893
  425   1HG2  ILE  51          1HG2      ILE  51 -17.551   1.918  -1.600
  426   2HG2  ILE  51          2HG2      ILE  51 -16.446   0.593  -1.243
  427   3HG2  ILE  51          3HG2      ILE  51 -18.186   0.348  -1.104
  428   1HD1  ILE  51          1HD1      ILE  51 -16.797  -2.810  -2.225
  429   2HD1  ILE  51          2HD1      ILE  51 -18.263  -2.454  -3.134
  430   3HD1  ILE  51          3HD1      ILE  51 -17.940  -1.613  -1.618
  431    H    ARG  52           H        ARG  52 -19.479   1.463  -1.411
  432    HA   ARG  52           HA       ARG  52 -20.976   3.676  -2.759
  433   1HB   ARG  52          2HB       ARG  52 -21.048   2.855   0.159
  434   2HB   ARG  52          1HB       ARG  52 -22.117   4.007  -0.643
  435   1HG   ARG  52          2HG       ARG  52 -21.899   1.065  -1.355
  436   2HG   ARG  52          1HG       ARG  52 -23.177   1.769  -0.365
  437   1HD   ARG  52          2HD       ARG  52 -23.517   3.384  -2.397
  438   2HD   ARG  52          1HD       ARG  52 -22.640   2.150  -3.301
  439    HE   ARG  52           HE       ARG  52 -24.558   0.669  -2.032
  440   1HH1  ARG  52          1HH2      ARG  52 -24.589   3.607  -3.838
  441   2HH1  ARG  52          2HH2      ARG  52 -26.192   3.369  -4.449
  442   1HH2  ARG  52          1HH1      ARG  52 -26.650   0.342  -2.821
  443   2HH2  ARG  52          2HH1      ARG  52 -27.358   1.521  -3.874
  444    H    ASP  53           H        ASP  53 -20.845   5.390  -0.429
  445    HA   ASP  53           HA       ASP  53 -18.492   6.882  -0.987
  446   1HB   ASP  53          2HB       ASP  53 -19.966   6.912   1.650
  447   2HB   ASP  53          1HB       ASP  53 -19.083   8.236   0.888
  448    H    ASN  54           H        ASN  54 -17.626   7.380   1.716
  449    HA   ASN  54           HA       ASN  54 -15.400   5.592   1.816
  450   1HB   ASN  54          2HB       ASN  54 -16.517   7.399   3.982
  451   2HB   ASN  54          1HB       ASN  54 -14.922   6.646   4.009
  452   1HD2  ASN  54          1HD2      ASN  54 -16.926   8.802   1.921
  453   2HD2  ASN  54          2HD2      ASN  54 -15.610   9.700   1.336
  454    H    THR  55           H        THR  55 -15.546   3.490   2.321
  455    HA   THR  55           HA       THR  55 -17.049   2.695   4.757
  456    HB   THR  55           HB       THR  55 -17.436   0.625   2.818
  457    HG1  THR  55           1HG      THR  55 -18.892   2.542   1.715
  458   1HG2  THR  55          1HG2      THR  55 -19.334   2.635   4.066
  459   2HG2  THR  55          2HG2      THR  55 -18.920   1.044   4.706
  460   3HG2  THR  55          3HG2      THR  55 -19.838   1.180   3.206
  461    H    ASP  56           H        ASP  56 -16.173   0.789   5.732
  462    HA   ASP  56           HA       ASP  56 -13.368   0.292   5.015
  463   1HB   ASP  56          2HB       ASP  56 -15.082  -0.949   7.191
  464   2HB   ASP  56          1HB       ASP  56 -13.328  -1.079   7.053
  465    H    VAL  57           H        VAL  57 -12.832  -1.240   3.549
  466    HA   VAL  57           HA       VAL  57 -14.676  -3.580   3.214
  467    HB   VAL  57           HB       VAL  57 -13.675  -3.713   0.892
  468   1HG1  VAL  57          1HG1      VAL  57 -15.889  -2.751   1.252
  469   2HG1  VAL  57          2HG1      VAL  57 -15.033  -1.798   0.040
  470   3HG1  VAL  57          3HG1      VAL  57 -15.173  -1.200   1.694
  471   1HG2  VAL  57          1HG2      VAL  57 -11.685  -2.237   1.619
  472   2HG2  VAL  57          2HG2      VAL  57 -12.785  -0.873   1.417
  473   3HG2  VAL  57          3HG2      VAL  57 -12.396  -1.903   0.040
  474    H    LEU  58           H        LEU  58 -13.482  -5.550   2.373
  475    HA   LEU  58           HA       LEU  58 -10.737  -5.757   3.553
  476   1HB   LEU  58          2HB       LEU  58 -13.068  -6.965   4.540
  477   2HB   LEU  58          1HB       LEU  58 -12.301  -8.245   3.610
  478    HG   LEU  58           HG       LEU  58 -11.598  -8.223   5.999
  479   1HD1  LEU  58          1HD1      LEU  58  -9.104  -8.180   5.517
  480   2HD1  LEU  58          2HD1      LEU  58  -9.512  -7.649   3.890
  481   3HD1  LEU  58          3HD1      LEU  58 -10.063  -9.219   4.468
  482   1HD2  LEU  58          1HD2      LEU  58  -9.824  -5.892   5.664
  483   2HD2  LEU  58          2HD2      LEU  58 -10.797  -6.376   7.051
  484   3HD2  LEU  58          3HD2      LEU  58 -11.538  -5.480   5.728
  485    H    SER  59           H        SER  59  -9.257  -6.916   2.251
  486    HA   SER  59           HA       SER  59  -9.804  -7.194  -0.504
  487   1HB   SER  59          2HB       SER  59  -7.548  -7.353  -0.303
  488   2HB   SER  59          1HB       SER  59  -7.652  -8.039   1.310
  489    HG   SER  59           HG       SER  59  -6.900  -9.649   0.018
  490    H    ARG  60           H        ARG  60 -10.092  -9.151  -1.798
  491    HA   ARG  60           HA       ARG  60 -12.209 -10.801  -0.810
  492   1HB   ARG  60          2HB       ARG  60 -10.395 -11.215  -3.202
  493   2HB   ARG  60          1HB       ARG  60 -11.914 -12.064  -2.915
  494   1HG   ARG  60          2HG       ARG  60 -13.084  -9.850  -2.871
  495   2HG   ARG  60          1HG       ARG  60 -11.561  -9.080  -3.317
  496   1HD   ARG  60          2HD       ARG  60 -12.760  -9.406  -5.363
  497   2HD   ARG  60          1HD       ARG  60 -11.505 -10.645  -5.329
  498    HE   ARG  60           HE       ARG  60 -14.010 -11.576  -4.181
  499   1HH1  ARG  60          1HH2      ARG  60 -12.203 -10.992  -7.058
  500   2HH1  ARG  60          2HH2      ARG  60 -13.042 -12.189  -7.987
  501   1HH2  ARG  60          1HH1      ARG  60 -15.116 -13.144  -5.376
  502   2HH2  ARG  60          2HH1      ARG  60 -14.690 -13.408  -7.034
  503    H    ASP  61           H        ASP  61  -8.718 -11.406  -1.175
  504    HA   ASP  61           HA       ASP  61  -9.026 -13.693   0.698
  505   1HB   ASP  61          2HB       ASP  61  -9.151 -14.624  -1.612
  506   2HB   ASP  61          1HB       ASP  61  -7.569 -13.922  -1.951
  507    H    ALA  62           H        ALA  62  -6.367 -12.517  -1.388
  508    HA   ALA  62           HA       ALA  62  -4.995 -11.398   0.957
  509   1HB   ALA  62          1HB       ALA  62  -2.949 -12.834   0.504
  510   2HB   ALA  62          2HB       ALA  62  -3.982 -13.848  -0.503
  511   3HB   ALA  62          3HB       ALA  62  -4.316 -13.687   1.222
  512    H    PHE  63           H        PHE  63  -2.822 -10.455   0.261
  513    HA   PHE  63           HA       PHE  63  -2.556  -9.955  -2.633
  514   1HB   PHE  63          2HB       PHE  63  -3.452  -7.887  -0.643
  515   2HB   PHE  63          1HB       PHE  63  -2.421  -7.394  -1.987
  516    HD1  PHE  63           1HD      PHE  63  -5.724  -8.645  -1.011
  517    HD2  PHE  63           2HD      PHE  63  -3.181  -7.635  -4.320
  518    HE1  PHE  63           1HE      PHE  63  -7.688  -8.665  -2.526
  519    HE2  PHE  63           2HE      PHE  63  -5.143  -7.654  -5.836
  520    HZ   PHE  63           HZ       PHE  63  -7.396  -8.171  -4.939
  521    H    LEU  64           H        LEU  64  -0.437  -9.605  -3.160
  522    HA   LEU  64           HA       LEU  64   1.559  -9.906  -1.051
  523   1HB   LEU  64          2HB       LEU  64   1.621 -10.833  -3.479
  524   2HB   LEU  64          1HB       LEU  64   2.142  -9.214  -3.934
  525    HG   LEU  64           HG       LEU  64   3.527 -10.748  -1.725
  526   1HD1  LEU  64          1HD1      LEU  64   4.123 -10.808  -4.697
  527   2HD1  LEU  64          2HD1      LEU  64   3.616 -12.174  -3.703
  528   3HD1  LEU  64          3HD1      LEU  64   5.195 -11.433  -3.443
  529   1HD2  LEU  64          1HD2      LEU  64   4.183  -8.474  -1.716
  530   2HD2  LEU  64          2HD2      LEU  64   4.155  -8.363  -3.475
  531   3HD2  LEU  64          3HD2      LEU  64   5.440  -9.258  -2.668
  532    H    LEU  65           H        LEU  65   2.095  -8.130   0.164
  533    HA   LEU  65           HA       LEU  65   2.373  -5.540  -1.297
  534   1HB   LEU  65          2HB       LEU  65   2.107  -4.983   1.467
  535   2HB   LEU  65          1HB       LEU  65   0.976  -4.606   0.182
  536    HG   LEU  65           HG       LEU  65   0.989  -7.352   1.393
  537   1HD1  LEU  65          1HD1      LEU  65  -0.318  -4.832   2.457
  538   2HD1  LEU  65          2HD1      LEU  65   0.840  -5.864   3.298
  539   3HD1  LEU  65          3HD1      LEU  65  -0.783  -6.461   2.952
  540   1HD2  LEU  65          1HD2      LEU  65  -1.408  -7.193   0.714
  541   2HD2  LEU  65          2HD2      LEU  65  -0.330  -6.942  -0.656
  542   3HD2  LEU  65          3HD2      LEU  65  -1.113  -5.564   0.111
  543    HA   PRO  66           HA       PRO  66   6.588  -5.851   0.187
  544   1HB   PRO  66          2HB       PRO  66   7.447  -3.410  -0.693
  545   2HB   PRO  66          1HB       PRO  66   7.224  -4.800  -1.771
  546   1HG   PRO  66          2HG       PRO  66   5.501  -2.428  -1.372
  547   2HG   PRO  66          1HG       PRO  66   5.799  -3.371  -2.838
  548   1HD   PRO  66          2HD       PRO  66   3.521  -3.582  -1.267
  549   2HD   PRO  66          1HD       PRO  66   4.101  -4.824  -2.398
  550    H    GLN  67           H        GLN  67   7.848  -4.836   1.957
  551    HA   GLN  67           HA       GLN  67   6.506  -2.580   3.345
  552   1HB   GLN  67          2HB       GLN  67   7.234  -5.106   4.838
  553   2HB   GLN  67          1HB       GLN  67   6.318  -3.724   5.437
  554   1HG   GLN  67          2HG       GLN  67   4.554  -4.225   3.724
  555   2HG   GLN  67          1HG       GLN  67   5.440  -5.690   3.304
  556   1HE2  GLN  67          1HE2      GLN  67   2.947  -6.219   4.214
  557   2HE2  GLN  67          2HE2      GLN  67   2.960  -6.753   5.826
  558    H    CYS  68           H        CYS  68   7.964  -1.199   4.246
  559    HA   CYS  68           HA       CYS  68  10.833  -1.960   4.097
  560   1HB   CYS  68          2HB       CYS  68   9.622   0.706   4.881
  561   2HB   CYS  68          1HB       CYS  68  11.291   0.393   4.408
  562    H    ASP  69           H        ASP  69  11.885  -2.661   5.876
  563    HA   ASP  69           HA       ASP  69  10.713  -1.995   8.559
  564   1HB   ASP  69          2HB       ASP  69  11.864  -4.532   7.434
  565   2HB   ASP  69          1HB       ASP  69  11.973  -4.225   9.168
  566    H    ARG  70           H        ARG  70  12.030  -0.522   9.519
  567    HA   ARG  70           HA       ARG  70  14.859  -0.294   8.842
  568   1HB   ARG  70          2HB       ARG  70  13.324   1.623   9.547
  569   2HB   ARG  70          1HB       ARG  70  13.426   0.979  11.184
  570   1HG   ARG  70          2HG       ARG  70  15.262   2.315  11.376
  571   2HG   ARG  70          1HG       ARG  70  16.081   1.045  10.470
  572   1HD   ARG  70          2HD       ARG  70  16.594   2.974   9.234
  573   2HD   ARG  70          1HD       ARG  70  15.208   2.318   8.363
  574    HE   ARG  70           HE       ARG  70  14.006   4.240   8.993
  575   1HH1  ARG  70          1HH2      ARG  70  16.705   3.680  11.063
  576   2HH1  ARG  70          2HH2      ARG  70  16.487   5.142  11.964
  577   1HH2  ARG  70          1HH1      ARG  70  13.708   6.156  10.158
  578   2HH2  ARG  70          2HH1      ARG  70  14.792   6.544  11.451
  579    H    ILE  71           H        ILE  71  16.622  -0.819  10.229
  580    HA   ILE  71           HA       ILE  71  16.275  -1.906  12.866
  581    HB   ILE  71           HB       ILE  71  15.316  -3.822  11.722
  582   1HG1  ILE  71          2HG1      ILE  71  16.843  -5.572  12.447
  583   2HG1  ILE  71          1HG1      ILE  71  18.207  -4.458  12.402
  584   1HG2  ILE  71          1HG2      ILE  71  17.875  -3.955  10.104
  585   2HG2  ILE  71          2HG2      ILE  71  16.370  -3.265   9.498
  586   3HG2  ILE  71          3HG2      ILE  71  16.447  -4.974   9.925
  587   1HD1  ILE  71          1HD1      ILE  71  17.479  -3.287  14.298
  588   2HD1  ILE  71          2HD1      ILE  71  17.049  -4.950  14.695
  589   3HD1  ILE  71          3HD1      ILE  71  15.812  -3.834  14.116
  590    H    LYS  72           H        LYS  72  18.275  -1.906   9.927
  591    HA   LYS  72           HA       LYS  72  20.706  -1.748  11.670
  592   1HB   LYS  72          2HB       LYS  72  20.429  -3.616   9.894
  593   2HB   LYS  72          1HB       LYS  72  20.719  -2.343   8.710
  594   1HG   LYS  72          2HG       LYS  72  22.841  -1.775   9.897
  595   2HG   LYS  72          1HG       LYS  72  22.569  -3.140  10.978
  596   1HD   LYS  72          2HD       LYS  72  22.859  -3.308   7.961
  597   2HD   LYS  72          1HD       LYS  72  24.096  -3.757   9.135
  598   1HE   LYS  72          2HE       LYS  72  21.491  -5.127   8.518
  599   2HE   LYS  72          1HE       LYS  72  23.104  -5.822   8.668
  600   1HZ   LYS  72          1HZ       LYS  72  21.822  -6.388  10.591
  601   2HZ   LYS  72          2HZ       LYS  72  21.419  -4.761  10.870
  602   3HZ   LYS  72          3HZ       LYS  72  23.025  -5.287  11.055
  603    H    LEU  73           H        LEU  73  22.427  -0.265  10.848
  604    HA   LEU  73           HA       LEU  73  23.069   1.919  10.296
  605   1HB   LEU  73          2HB       LEU  73  21.768   0.666   8.018
  606   2HB   LEU  73          1HB       LEU  73  21.507   2.405   7.976
  607    HG   LEU  73           HG       LEU  73  24.063   2.574   8.457
  608   1HD1  LEU  73          1HD1      LEU  73  24.247   0.120   8.997
  609   2HD1  LEU  73          2HD1      LEU  73  25.387   0.671   7.768
  610   3HD1  LEU  73          3HD1      LEU  73  23.941  -0.220   7.293
  611   1HD2  LEU  73          1HD2      LEU  73  24.543   2.193   5.987
  612   2HD2  LEU  73          2HD2      LEU  73  23.186   3.266   6.329
  613   3HD2  LEU  73          3HD2      LEU  73  22.889   1.597   5.842
  614    HA   PRO  74           HA       PRO  74  19.886   4.737  11.566
  615   1HB   PRO  74          2HB       PRO  74  20.578   7.097  10.450
  616   2HB   PRO  74          1HB       PRO  74  21.602   6.299  11.660
  617   1HG   PRO  74          2HG       PRO  74  21.928   6.450   8.711
  618   2HG   PRO  74          1HG       PRO  74  23.156   6.459   9.986
  619   1HD   PRO  74          2HD       PRO  74  22.436   4.229   8.446
  620   2HD   PRO  74          1HD       PRO  74  23.330   4.173   9.978
  621    H    CYS  75           H        CYS  75  20.338   4.679   8.055
  622    HA   CYS  75           HA       CYS  75  17.408   5.188   7.751
  623   1HB   CYS  75          2HB       CYS  75  18.968   7.185   7.177
  624   2HB   CYS  75          1HB       CYS  75  19.411   6.236   5.757
  625    H    HIS  76           H        HIS  76  18.328   2.638   7.824
  626    HA   HIS  76           HA       HIS  76  18.324   1.809   4.940
  627   1HB   HIS  76          2HB       HIS  76  20.489   1.316   6.111
  628   2HB   HIS  76          1HB       HIS  76  19.594   0.318   7.258
  629    HD1  HIS  76           1HD      HIS  76  18.260   0.187   3.837
  630    HD2  HIS  76           2HD      HIS  76  21.101  -1.918   6.051
  631    HE1  HIS  76           1HE      HIS  76  18.709  -1.961   2.570
  632    HE2  HIS  76           2HE      HIS  76  20.436  -3.250   3.908
  633    H    TYR  77           H        TYR  77  17.010  -0.057   4.471
  634    HA   TYR  77           HA       TYR  77  15.258  -0.981   6.706
  635   1HB   TYR  77          2HB       TYR  77  14.068  -0.467   4.000
  636   2HB   TYR  77          1HB       TYR  77  13.279  -0.501   5.577
  637    HD1  TYR  77           1HD      TYR  77  13.197   1.447   6.982
  638    HD2  TYR  77           2HD      TYR  77  15.479   1.481   3.342
  639    HE1  TYR  77           1HE      TYR  77  13.451   3.907   7.163
  640    HE2  TYR  77           2HE      TYR  77  15.733   3.942   3.526
  641    HH   TYR  77           HH       TYR  77  14.120   5.766   6.108
  642    H    LYS  78           H        LYS  78  14.136  -3.010   6.201
  643    HA   LYS  78           HA       LYS  78  15.741  -4.704   4.334
  644   1HB   LYS  78          2HB       LYS  78  15.190  -5.086   7.010
  645   2HB   LYS  78          1HB       LYS  78  13.921  -6.041   6.249
  646   1HG   LYS  78          2HG       LYS  78  16.889  -6.275   5.658
  647   2HG   LYS  78          1HG       LYS  78  15.950  -7.396   6.645
  648   1HD   LYS  78          2HD       LYS  78  14.414  -7.544   4.507
  649   2HD   LYS  78          1HD       LYS  78  15.851  -6.949   3.674
  650   1HE   LYS  78          2HE       LYS  78  17.169  -8.814   4.612
  651   2HE   LYS  78          1HE       LYS  78  15.731  -9.413   5.438
  652   1HZ   LYS  78          1HZ       LYS  78  15.234  -8.955   2.674
  653   2HZ   LYS  78          2HZ       LYS  78  15.020 -10.371   3.587
  654   3HZ   LYS  78          3HZ       LYS  78  16.529 -10.029   2.887
  655    H    LEU  79           H        LEU  79  14.612  -6.050   2.853
  656    HA   LEU  79           HA       LEU  79  11.954  -5.052   2.104
  657   1HB   LEU  79          2HB       LEU  79  13.970  -5.761   0.546
  658   2HB   LEU  79          1HB       LEU  79  13.299  -7.376   0.751
  659    HG   LEU  79           HG       LEU  79  12.318  -6.414  -1.237
  660   1HD1  LEU  79          1HD1      LEU  79  10.223  -6.100   0.917
  661   2HD1  LEU  79          2HD1      LEU  79  10.858  -7.678   0.448
  662   3HD1  LEU  79          3HD1      LEU  79  10.010  -6.681  -0.732
  663   1HD2  LEU  79          1HD2      LEU  79  10.998  -4.171   0.228
  664   2HD2  LEU  79          2HD2      LEU  79  11.565  -4.249  -1.438
  665   3HD2  LEU  79          3HD2      LEU  79  12.715  -3.981  -0.131
  666    H    SER  80           H        SER  80  10.186  -5.911   3.049
  667    HA   SER  80           HA       SER  80  10.104  -8.860   3.511
  668   1HB   SER  80          2HB       SER  80  10.427  -8.178   5.721
  669   2HB   SER  80          1HB       SER  80   9.600  -6.643   5.474
  670    HG   SER  80           HG       SER  80   8.396  -9.218   5.488
  671    H    SER  81           H        SER  81   8.382  -9.648   2.404
  672    HA   SER  81           HA       SER  81   5.902  -7.993   2.258
  673   1HB   SER  81          2HB       SER  81   6.725  -9.529  -0.176
  674   2HB   SER  81          1HB       SER  81   5.780  -8.047  -0.052
  675    HG   SER  81           HG       SER  81   8.143  -8.041  -0.789
  676    H    SER  82           H        SER  82   3.991  -9.316   1.657
  677    HA   SER  82           HA       SER  82   4.179 -12.210   1.631
  678   1HB   SER  82          2HB       SER  82   4.599 -11.733   4.055
  679   2HB   SER  82          1HB       SER  82   3.041 -10.915   4.130
  680    HG   SER  82           HG       SER  82   3.437 -13.603   3.297
  681    H    THR  83           H        THR  83   1.958 -13.185   1.618
  682    HA   THR  83           HA       THR  83   0.082 -11.288   0.331
  683    HB   THR  83           HB       THR  83  -0.900 -13.800  -0.112
  684    HG1  THR  83           1HG      THR  83   1.789 -14.232  -0.517
  685   1HG2  THR  83          1HG2      THR  83  -0.519 -12.152  -1.846
  686   2HG2  THR  83          2HG2      THR  83   0.319 -13.637  -2.300
  687   3HG2  THR  83          3HG2      THR  83   1.227 -12.281  -1.631
  688    H    ASN  84           H        ASN  84  -1.563 -10.585   1.579
  689    HA   ASN  84           HA       ASN  84  -3.094 -12.470   3.214
  690   1HB   ASN  84          2HB       ASN  84  -2.791 -11.217   5.330
  691   2HB   ASN  84          1HB       ASN  84  -1.269 -11.913   4.770
  692   1HD2  ASN  84          1HD2      ASN  84  -1.189  -9.688   6.505
  693   2HD2  ASN  84          2HD2      ASN  84  -0.645  -8.327   5.649
  694    H    THR  85           H        THR  85  -5.131 -11.508   3.923
  695    HA   THR  85           HA       THR  85  -6.135  -9.525   2.103
  696    HB   THR  85           HB       THR  85  -7.765  -9.777   4.496
  697    HG1  THR  85           1HG      THR  85  -6.906 -11.669   5.001
  698   1HG2  THR  85          1HG2      THR  85  -8.878  -9.358   2.459
  699   2HG2  THR  85          2HG2      THR  85  -9.219 -11.055   2.779
  700   3HG2  THR  85          3HG2      THR  85  -7.983 -10.615   1.608
  701    H    ILE  86           H        ILE  86  -7.120  -7.408   2.895
  702    HA   ILE  86           HA       ILE  86  -5.810  -6.294   5.304
  703    HB   ILE  86           HB       ILE  86  -4.436  -4.797   4.247
  704   1HG1  ILE  86          2HG1      ILE  86  -6.243  -3.500   3.213
  705   2HG1  ILE  86          1HG1      ILE  86  -4.943  -3.739   2.054
  706   1HG2  ILE  86          1HG2      ILE  86  -3.510  -5.683   2.136
  707   2HG2  ILE  86          2HG2      ILE  86  -4.900  -6.755   1.979
  708   3HG2  ILE  86          3HG2      ILE  86  -3.768  -6.968   3.315
  709   1HD1  ILE  86          1HD1      ILE  86  -6.635  -5.968   1.718
  710   2HD1  ILE  86          2HD1      ILE  86  -6.462  -4.593   0.630
  711   3HD1  ILE  86          3HD1      ILE  86  -7.710  -4.581   1.871
  712    H    CYS  87           H        CYS  87  -6.655  -3.978   5.682
  713    HA   CYS  87           HA       CYS  87  -9.490  -3.808   4.732
  714   1HB   CYS  87          2HB       CYS  87  -9.419  -2.345   7.068
  715   2HB   CYS  87          1HB       CYS  87  -9.943  -4.019   6.960
  716    H    ILE  88           H        ILE  88 -10.015  -1.923   3.690
  717    HA   ILE  88           HA       ILE  88  -8.360   0.490   4.167
  718    HB   ILE  88           HB       ILE  88  -7.105  -0.039   2.337
  719   1HG1  ILE  88          2HG1      ILE  88  -9.608   0.532   0.732
  720   2HG1  ILE  88          1HG1      ILE  88  -8.708   1.798   1.563
  721   1HG2  ILE  88          1HG2      ILE  88  -9.400  -1.803   1.444
  722   2HG2  ILE  88          2HG2      ILE  88  -7.910  -2.326   2.223
  723   3HG2  ILE  88          3HG2      ILE  88  -7.864  -1.662   0.591
  724   1HD1  ILE  88          1HD1      ILE  88  -7.290   1.909  -0.175
  725   2HD1  ILE  88          2HD1      ILE  88  -8.142   0.591  -0.975
  726   3HD1  ILE  88          3HD1      ILE  88  -6.807   0.239   0.118
  727    H    THR  89           H        THR  89  -9.434   2.446   3.512
  728    HA   THR  89           HA       THR  89 -12.375   2.121   3.312
  729    HB   THR  89           HB       THR  89 -10.575   4.452   3.968
  730    HG1  THR  89           1HG      THR  89 -12.733   3.304   5.383
  731   1HG2  THR  89          1HG2      THR  89 -12.254   5.491   2.672
  732   2HG2  THR  89          2HG2      THR  89 -12.818   5.658   4.335
  733   3HG2  THR  89          3HG2      THR  89 -13.509   4.417   3.290
  734    H    CYS  90           H        CYS  90 -13.439   2.483   1.450
  735    HA   CYS  90           HA       CYS  90 -12.004   3.877  -0.782
  736   1HB   CYS  90          2HB       CYS  90 -12.663   1.207  -0.730
  737   2HB   CYS  90          1HB       CYS  90 -14.073   1.900  -1.526
  738    H    VAL  91           H        VAL  91 -13.317   5.230  -2.105
  739    HA   VAL  91           HA       VAL  91 -15.797   6.146  -0.793
  740    HB   VAL  91           HB       VAL  91 -14.718   7.324  -3.342
  741   1HG1  VAL  91          1HG1      VAL  91 -15.725   8.740  -0.872
  742   2HG1  VAL  91          2HG1      VAL  91 -16.850   8.068  -2.048
  743   3HG1  VAL  91          3HG1      VAL  91 -15.706   9.314  -2.539
  744   1HG2  VAL  91          1HG2      VAL  91 -13.269   8.771  -1.806
  745   2HG2  VAL  91          2HG2      VAL  91 -12.705   7.122  -2.073
  746   3HG2  VAL  91          3HG2      VAL  91 -13.527   7.540  -0.570
  747    H    ASN  92           H        ASN  92 -16.922   7.109  -3.375
  748    HA   ASN  92           HA       ASN  92 -18.768   5.115  -3.928
  749   1HB   ASN  92          2HB       ASN  92 -17.631   7.252  -5.728
  750   2HB   ASN  92          1HB       ASN  92 -18.963   6.208  -6.229
  751   1HD2  ASN  92          1HD2      ASN  92 -20.699   6.056  -4.217
  752   2HD2  ASN  92          2HD2      ASN  92 -21.163   7.577  -3.623
  753    H    GLN  93           H        GLN  93 -15.515   5.348  -5.007
  754    HA   GLN  93           HA       GLN  93 -15.266   2.631  -5.724
  755   1HB   GLN  93          2HB       GLN  93 -15.086   2.978  -8.270
  756   2HB   GLN  93          1HB       GLN  93 -16.710   2.903  -7.591
  757   1HG   GLN  93          2HG       GLN  93 -17.004   5.249  -7.736
  758   2HG   GLN  93          1HG       GLN  93 -15.275   5.538  -7.930
  759   1HE2  GLN  93          1HE2      GLN  93 -16.865   2.916  -9.685
  760   2HE2  GLN  93          2HE2      GLN  93 -16.764   3.639 -11.218
  761    H    LEU  94           H        LEU  94 -13.745   4.696  -4.440
  762    HA   LEU  94           HA       LEU  94 -11.252   4.512  -6.053
  763   1HB   LEU  94          2HB       LEU  94 -12.764   6.934  -5.557
  764   2HB   LEU  94          1HB       LEU  94 -11.180   7.052  -4.796
  765    HG   LEU  94           HG       LEU  94 -10.146   6.344  -6.975
  766   1HD1  LEU  94          1HD1      LEU  94 -13.021   6.182  -7.708
  767   2HD1  LEU  94          2HD1      LEU  94 -11.639   5.295  -8.350
  768   3HD1  LEU  94          3HD1      LEU  94 -11.968   6.933  -8.906
  769   1HD2  LEU  94          1HD2      LEU  94 -10.302   8.525  -7.964
  770   2HD2  LEU  94          2HD2      LEU  94 -10.491   8.756  -6.225
  771   3HD2  LEU  94          3HD2      LEU  94 -11.905   8.791  -7.278
  772    HA   PRO  95           HA       PRO  95 -10.045   3.431  -1.814
  773   1HB   PRO  95          2HB       PRO  95  -7.570   2.490  -2.376
  774   2HB   PRO  95          1HB       PRO  95  -9.035   1.577  -2.790
  775   1HG   PRO  95          2HG       PRO  95  -7.292   3.245  -4.536
  776   2HG   PRO  95          1HG       PRO  95  -8.069   1.689  -4.872
  777   1HD   PRO  95          2HD       PRO  95  -9.063   4.123  -5.729
  778   2HD   PRO  95          1HD       PRO  95 -10.060   2.669  -5.490
  779    H    ILE  96           H        ILE  96  -9.161   4.820  -0.256
  780    HA   ILE  96           HA       ILE  96  -6.909   6.558  -1.118
  781    HB   ILE  96           HB       ILE  96  -8.045   8.523  -0.077
  782   1HG1  ILE  96          2HG1      ILE  96 -10.715   7.986  -0.123
  783   2HG1  ILE  96          1HG1      ILE  96 -10.113   6.416   0.402
  784   1HG2  ILE  96          1HG2      ILE  96  -8.173   7.733  -2.588
  785   2HG2  ILE  96          2HG2      ILE  96  -9.205   9.050  -2.037
  786   3HG2  ILE  96          3HG2      ILE  96  -9.865   7.424  -2.207
  787   1HD1  ILE  96          1HD1      ILE  96  -8.701   7.805   2.106
  788   2HD1  ILE  96          2HD1      ILE  96 -10.414   7.550   2.425
  789   3HD1  ILE  96          3HD1      ILE  96  -9.861   9.085   1.759
  790    H    HIS  97           H        HIS  97  -8.562   4.871   1.510
  791    HA   HIS  97           HA       HIS  97  -6.314   5.815   3.276
  792   1HB   HIS  97          2HB       HIS  97  -9.094   6.116   3.693
  793   2HB   HIS  97          1HB       HIS  97  -8.571   4.857   4.813
  794    HD1  HIS  97           1HD      HIS  97  -7.156   5.561   6.798
  795    HD2  HIS  97           2HD      HIS  97  -7.688   8.650   4.045
  796    HE1  HIS  97           1HE      HIS  97  -6.239   7.658   7.886
  797    HE2  HIS  97           2HE      HIS  97  -6.557   9.543   6.219
  798    H    PHE  98           H        PHE  98  -5.035   4.258   4.084
  799    HA   PHE  98           HA       PHE  98  -5.788   1.424   3.609
  800   1HB   PHE  98          2HB       PHE  98  -3.574   2.056   2.832
  801   2HB   PHE  98          1HB       PHE  98  -3.172   2.739   4.406
  802    HD1  PHE  98           1HD      PHE  98  -2.070   1.403   5.984
  803    HD2  PHE  98           2HD      PHE  98  -4.310  -0.470   2.832
  804    HE1  PHE  98           1HE      PHE  98  -1.271  -0.820   6.737
  805    HE2  PHE  98           2HE      PHE  98  -3.510  -2.692   3.585
  806    HZ   PHE  98           HZ       PHE  98  -1.990  -2.867   5.537
  807    H    ALA  99           H        ALA  99  -6.942   0.572   5.286
  808    HA   ALA  99           HA       ALA  99  -6.909   1.578   7.962
  809   1HB   ALA  99          1HB       ALA  99  -7.568  -1.290   7.437
  810   2HB   ALA  99          2HB       ALA  99  -8.573  -0.059   6.680
  811   3HB   ALA  99          3HB       ALA  99  -8.419  -0.117   8.436
  812    H    GLY 100           H        GLY 100  -5.893  -1.748   7.161
  813   1HA   GLY 100          2HA       GLY 100  -3.239  -1.354   8.319
  814   2HA   GLY 100          1HA       GLY 100  -4.325  -2.280   9.357
  815    H    VAL 101           H        VAL 101  -2.893  -4.137   9.029
  816    HA   VAL 101           HA       VAL 101  -3.033  -5.330   6.292
  817    HB   VAL 101           HB       VAL 101  -1.175  -6.735   6.964
  818   1HG1  VAL 101          1HG1      VAL 101   0.501  -4.949   7.593
  819   2HG1  VAL 101          2HG1      VAL 101  -0.852  -3.832   7.769
  820   3HG1  VAL 101          3HG1      VAL 101  -0.502  -4.553   6.198
  821   1HG2  VAL 101          1HG2      VAL 101  -0.194  -6.326   9.302
  822   2HG2  VAL 101          2HG2      VAL 101  -1.691  -7.256   9.234
  823   3HG2  VAL 101          3HG2      VAL 101  -1.731  -5.554   9.694
  824    H    GLY 102           H        GLY 102  -3.533  -7.641   6.162
  825   1HA   GLY 102          2HA       GLY 102  -4.633  -9.616   6.837
  826   2HA   GLY 102          1HA       GLY 102  -4.669  -8.989   8.483
  827    H    SER 103           H        SER 103  -6.473  -7.735   9.147
  828    HA   SER 103           HA       SER 103  -8.530  -6.916   7.279
  829   1HB   SER 103          2HB       SER 103  -9.273  -9.167   9.155
  830   2HB   SER 103          1HB       SER 103 -10.246  -8.480   7.859
  831    HG   SER 103           HG       SER 103  -8.140 -10.289   7.771
  832    H    CYS 104           H        CYS 104  -9.881  -5.413   8.246
  833    HA   CYS 104           HA       CYS 104  -9.362  -4.887  11.139
  834   1HB   CYS 104          2HB       CYS 104 -10.468  -3.074   8.981
  835   2HB   CYS 104          1HB       CYS 104 -10.248  -2.612  10.666
  836    HA   PRO 105           HA       PRO 105 -13.504  -6.156  12.082
  837   1HB   PRO 105          2HB       PRO 105 -13.981  -4.649  14.327
  838   2HB   PRO 105          1HB       PRO 105 -12.931  -6.080  14.316
  839   1HG   PRO 105          2HG       PRO 105 -12.196  -3.193  14.211
  840   2HG   PRO 105          1HG       PRO 105 -11.429  -4.521  15.100
  841   1HD   PRO 105          2HD       PRO 105 -10.414  -3.549  12.761
  842   2HD   PRO 105          1HD       PRO 105 -10.230  -5.248  13.251
  Start of MODEL   20
    1    HN   PCA   1           H        PCA   1  -6.366   9.158   0.915
    2    HA   PCA   1           HA       PCA   1  -7.809  11.236   1.643
    3   1HB   PCA   1          1HB       PCA   1  -6.416  12.668   2.729
    4   2HB   PCA   1          2HB       PCA   1  -5.834  13.146   1.151
    5   1HG   PCA   1          1HG       PCA   1  -4.429  11.894   3.041
    6   2HG   PCA   1          2HG       PCA   1  -4.079  11.864   1.297
    7    H    ASP   2           H        ASP   2  -6.004   9.949  -0.834
    8    HA   ASP   2           HA       ASP   2  -7.743  11.109  -2.830
    9   1HB   ASP   2          2HB       ASP   2  -4.967  12.205  -2.467
   10   2HB   ASP   2          1HB       ASP   2  -5.613  12.051  -4.102
   11    H    TRP   3           H        TRP   3  -7.967   9.475  -4.280
   12    HA   TRP   3           HA       TRP   3  -6.569   7.064  -4.206
   13   1HB   TRP   3          2HB       TRP   3  -8.552   7.020  -5.448
   14   2HB   TRP   3          1HB       TRP   3  -8.117   8.454  -6.371
   15    HD1  TRP   3           HD       TRP   3  -7.995   7.663  -8.773
   16    HE1  TRP   3           1HE      TRP   3  -6.753   5.798 -10.041
   17    HE3  TRP   3           3HE      TRP   3  -5.972   5.082  -4.835
   18    HZ2  TRP   3           2HZ      TRP   3  -5.130   3.523  -9.474
   19    HZ3  TRP   3           3HZ      TRP   3  -4.588   3.077  -5.240
   20    HH2  TRP   3           HH       TRP   3  -4.163   2.291  -7.552
   21    H    GLU   4           H        GLU   4  -5.674  10.048  -5.839
   22    HA   GLU   4           HA       GLU   4  -3.639   8.978  -7.535
   23   1HB   GLU   4          2HB       GLU   4  -4.480  11.303  -7.720
   24   2HB   GLU   4          1HB       GLU   4  -3.729  11.688  -6.170
   25   1HG   GLU   4          2HG       GLU   4  -1.522  11.258  -7.054
   26   2HG   GLU   4          1HG       GLU   4  -2.195  10.635  -8.561
   27    H    THR   5           H        THR   5  -2.802  10.980  -4.707
   28    HA   THR   5           HA       THR   5  -0.243   9.898  -4.339
   29    HB   THR   5           HB       THR   5  -1.118  11.879  -3.120
   30    HG1  THR   5           1HG      THR   5   0.006  11.424  -1.256
   31   1HG2  THR   5          1HG2      THR   5  -2.416   9.971  -1.190
   32   2HG2  THR   5          2HG2      THR   5  -3.315  10.602  -2.567
   33   3HG2  THR   5          3HG2      THR   5  -2.664  11.709  -1.359
   34    H    PHE   6           H        PHE   6  -3.297   8.826  -2.816
   35    HA   PHE   6           HA       PHE   6  -2.320   6.713  -1.264
   36   1HB   PHE   6          2HB       PHE   6  -4.760   7.535  -1.609
   37   2HB   PHE   6          1HB       PHE   6  -4.797   6.407  -2.962
   38    HD1  PHE   6           1HD      PHE   6  -4.051   6.626   0.694
   39    HD2  PHE   6           2HD      PHE   6  -5.181   4.111  -2.599
   40    HE1  PHE   6           1HE      PHE   6  -4.466   4.756   2.263
   41    HE2  PHE   6           2HE      PHE   6  -5.596   2.240  -1.029
   42    HZ   PHE   6           HZ       PHE   6  -5.243   2.562   1.402
   43    H    GLN   7           H        GLN   7  -2.473   7.035  -4.715
   44    HA   GLN   7           HA       GLN   7  -1.938   4.163  -5.165
   45   1HB   GLN   7          2HB       GLN   7  -3.414   5.531  -6.700
   46   2HB   GLN   7          1HB       GLN   7  -1.978   6.417  -7.194
   47   1HG   GLN   7          2HG       GLN   7  -2.095   3.406  -7.340
   48   2HG   GLN   7          1HG       GLN   7  -2.709   4.411  -8.649
   49   1HE2  GLN   7          1HE2      GLN   7  -0.427   6.431  -7.767
   50   2HE2  GLN   7          2HE2      GLN   7   0.935   5.803  -8.560
   51    H    LYS   8           H        LYS   8  -0.244   7.151  -4.764
   52    HA   LYS   8           HA       LYS   8   2.188   6.168  -6.117
   53   1HB   LYS   8          2HB       LYS   8   1.839   8.688  -4.481
   54   2HB   LYS   8          1HB       LYS   8   3.100   8.349  -5.665
   55   1HG   LYS   8          2HG       LYS   8   0.219   8.235  -6.525
   56   2HG   LYS   8          1HG       LYS   8   1.003   9.802  -6.352
   57   1HD   LYS   8          2HD       LYS   8   2.747   9.163  -7.921
   58   2HD   LYS   8          1HD       LYS   8   2.109   7.522  -8.015
   59   1HE   LYS   8          2HE       LYS   8   0.101   8.268  -9.091
   60   2HE   LYS   8          1HE       LYS   8   0.475   9.959  -8.757
   61   1HZ   LYS   8          1HZ       LYS   8   0.968   9.149 -11.072
   62   2HZ   LYS   8          2HZ       LYS   8   2.231   8.232 -10.401
   63   3HZ   LYS   8          3HZ       LYS   8   2.248   9.927 -10.275
   64    H    LYS   9           H        LYS   9   1.358   7.167  -2.751
   65    HA   LYS   9           HA       LYS   9   3.919   6.109  -1.811
   66   1HB   LYS   9          2HB       LYS   9   2.745   6.645   0.488
   67   2HB   LYS   9          1HB       LYS   9   3.299   7.954  -0.554
   68   1HG   LYS   9          2HG       LYS   9   1.137   8.479  -1.279
   69   2HG   LYS   9          1HG       LYS   9   0.505   6.885  -0.869
   70   1HD   LYS   9          2HD       LYS   9   0.663   7.371   1.507
   71   2HD   LYS   9          1HD       LYS   9   1.462   8.908   1.176
   72   1HE   LYS   9          2HE       LYS   9  -0.494   9.892   0.335
   73   2HE   LYS   9          1HE       LYS   9  -1.252   8.334   0.007
   74   1HZ   LYS   9          1HZ       LYS   9  -0.804   8.256   2.674
   75   2HZ   LYS   9          2HZ       LYS   9  -2.284   8.651   1.939
   76   3HZ   LYS   9          3HZ       LYS   9  -1.218   9.881   2.426
   77    H    HIS  10           H        HIS  10   0.497   5.212  -1.120
   78    HA   HIS  10           HA       HIS  10   1.277   2.863   0.371
   79   1HB   HIS  10          2HB       HIS  10  -1.343   3.723  -0.862
   80   2HB   HIS  10          1HB       HIS  10  -1.163   2.223   0.046
   81    HD1  HIS  10           1HD      HIS  10  -0.692   2.407   2.598
   82    HD2  HIS  10           2HD      HIS  10  -1.220   6.093   0.718
   83    HE1  HIS  10           1HE      HIS  10  -0.966   4.121   4.444
   84    HE2  HIS  10           2HE      HIS  10  -1.288   6.368   3.311
   85    H    LEU  11           H        LEU  11   0.828   3.409  -3.069
   86    HA   LEU  11           HA       LEU  11   1.029   0.437  -3.449
   87   1HB   LEU  11          2HB       LEU  11  -0.380   2.590  -4.957
   88   2HB   LEU  11          1HB       LEU  11   0.280   1.248  -5.887
   89    HG   LEU  11           HG       LEU  11  -0.936  -0.352  -4.490
   90   1HD1  LEU  11          1HD1      LEU  11  -2.708   0.721  -2.918
   91   2HD1  LEU  11          2HD1      LEU  11  -1.683   2.155  -2.988
   92   3HD1  LEU  11          3HD1      LEU  11  -1.041   0.641  -2.357
   93   1HD2  LEU  11          1HD2      LEU  11  -3.272   0.367  -5.108
   94   2HD2  LEU  11          2HD2      LEU  11  -2.115   0.460  -6.435
   95   3HD2  LEU  11          3HD2      LEU  11  -2.602   1.927  -5.587
   96    H    THR  12           H        THR  12   2.496  -0.363  -5.003
   97    HA   THR  12           HA       THR  12   4.465   1.614  -6.083
   98    HB   THR  12           HB       THR  12   5.610   0.731  -4.183
   99    HG1  THR  12           1HG      THR  12   7.136   0.566  -5.615
  100   1HG2  THR  12          1HG2      THR  12   4.923  -1.209  -3.270
  101   2HG2  THR  12          2HG2      THR  12   5.692  -2.068  -4.602
  102   3HG2  THR  12          3HG2      THR  12   3.996  -1.605  -4.715
  103    H    ASP  13           H        ASP  13   6.106  -0.128  -7.455
  104    HA   ASP  13           HA       ASP  13   4.185  -1.515  -9.293
  105   1HB   ASP  13          2HB       ASP  13   5.846  -0.960 -11.100
  106   2HB   ASP  13          1HB       ASP  13   5.059   0.449 -10.388
  107    H    THR  14           H        THR  14   6.158  -2.438  -6.974
  108    HA   THR  14           HA       THR  14   6.964  -4.859  -8.454
  109    HB   THR  14           HB       THR  14   8.870  -3.313  -8.805
  110    HG1  THR  14           1HG      THR  14  10.041  -5.023  -8.606
  111   1HG2  THR  14          1HG2      THR  14   8.475  -2.015  -6.690
  112   2HG2  THR  14          2HG2      THR  14  10.156  -2.492  -6.928
  113   3HG2  THR  14          3HG2      THR  14   9.140  -3.379  -5.792
  114    H    LYS  15           H        LYS  15   7.368  -6.633  -7.063
  115    HA   LYS  15           HA       LYS  15   6.105  -6.460  -4.456
  116   1HB   LYS  15          2HB       LYS  15   7.227  -8.887  -4.357
  117   2HB   LYS  15          1HB       LYS  15   5.795  -8.579  -5.338
  118   1HG   LYS  15          2HG       LYS  15   8.483  -8.097  -6.577
  119   2HG   LYS  15          1HG       LYS  15   7.946  -9.763  -6.380
  120   1HD   LYS  15          2HD       LYS  15   6.039  -7.770  -7.567
  121   2HD   LYS  15          1HD       LYS  15   7.335  -8.410  -8.576
  122   1HE   LYS  15          2HE       LYS  15   6.606 -10.709  -8.074
  123   2HE   LYS  15          1HE       LYS  15   5.317 -10.081  -7.047
  124   1HZ   LYS  15          1HZ       LYS  15   5.111 -10.592  -9.701
  125   2HZ   LYS  15          2HZ       LYS  15   5.349  -8.910  -9.666
  126   3HZ   LYS  15          3HZ       LYS  15   4.061  -9.607  -8.805
  127    H    LYS  16           H        LYS  16   9.227  -5.820  -5.609
  128    HA   LYS  16           HA       LYS  16  10.332  -5.966  -2.827
  129   1HB   LYS  16          2HB       LYS  16  11.791  -6.399  -5.453
  130   2HB   LYS  16          1HB       LYS  16  12.544  -6.394  -3.858
  131   1HG   LYS  16          2HG       LYS  16  11.583  -8.421  -3.242
  132   2HG   LYS  16          1HG       LYS  16  10.218  -8.229  -4.342
  133   1HD   LYS  16          2HD       LYS  16  11.509  -8.825  -6.234
  134   2HD   LYS  16          1HD       LYS  16  13.032  -8.583  -5.376
  135   1HE   LYS  16          2HE       LYS  16  12.760 -10.558  -4.099
  136   2HE   LYS  16          1HE       LYS  16  11.040 -10.667  -4.479
  137   1HZ   LYS  16          1HZ       LYS  16  12.838 -12.105  -5.734
  138   2HZ   LYS  16          2HZ       LYS  16  12.921 -10.718  -6.712
  139   3HZ   LYS  16          3HZ       LYS  16  11.445 -11.536  -6.516
  140    H    VAL  17           H        VAL  17   9.184  -3.686  -3.133
  141    HA   VAL  17           HA       VAL  17  10.246  -1.648  -4.742
  142    HB   VAL  17           HB       VAL  17   9.508  -0.067  -3.010
  143   1HG1  VAL  17          1HG1      VAL  17   7.224  -0.594  -3.120
  144   2HG1  VAL  17          2HG1      VAL  17   7.528  -2.327  -3.017
  145   3HG1  VAL  17          3HG1      VAL  17   7.908  -1.454  -4.499
  146   1HG2  VAL  17          1HG2      VAL  17  10.225  -1.020  -0.969
  147   2HG2  VAL  17          2HG2      VAL  17   9.481  -2.577  -1.332
  148   3HG2  VAL  17          3HG2      VAL  17   8.471  -1.194  -0.915
  149    H    LYS  18           H        LYS  18  11.569   0.226  -3.856
  150    HA   LYS  18           HA       LYS  18  14.047  -0.894  -2.648
  151   1HB   LYS  18          2HB       LYS  18  14.898   1.486  -3.409
  152   2HB   LYS  18          1HB       LYS  18  14.675   0.218  -4.616
  153   1HG   LYS  18          2HG       LYS  18  12.490   1.092  -5.215
  154   2HG   LYS  18          1HG       LYS  18  12.566   2.277  -3.910
  155   1HD   LYS  18          2HD       LYS  18  13.143   3.338  -6.047
  156   2HD   LYS  18          1HD       LYS  18  14.548   3.311  -4.983
  157   1HE   LYS  18          2HE       LYS  18  14.129   1.024  -6.882
  158   2HE   LYS  18          1HE       LYS  18  14.778   2.542  -7.500
  159   1HZ   LYS  18          1HZ       LYS  18  16.109   1.973  -5.125
  160   2HZ   LYS  18          2HZ       LYS  18  16.741   1.964  -6.702
  161   3HZ   LYS  18          3HZ       LYS  18  16.098   0.540  -6.032
  162    H    CYS  19           H        CYS  19  12.550  -0.833  -0.650
  163    HA   CYS  19           HA       CYS  19  11.478   1.222   0.706
  164   1HB   CYS  19          2HB       CYS  19  13.424  -0.845   1.723
  165   2HB   CYS  19          1HB       CYS  19  12.646   0.302   2.814
  166    H    ASP  20           H        ASP  20  14.972   0.860   0.199
  167    HA   ASP  20           HA       ASP  20  15.991   2.822   1.900
  168   1HB   ASP  20          2HB       ASP  20  17.293   1.337   0.294
  169   2HB   ASP  20          1HB       ASP  20  16.884   2.493  -0.974
  170    H    VAL  21           H        VAL  21  14.493   3.261  -1.282
  171    HA   VAL  21           HA       VAL  21  14.547   6.213  -0.855
  172    HB   VAL  21           HB       VAL  21  13.614   4.916  -3.394
  173   1HG1  VAL  21          1HG1      VAL  21  13.465   7.302  -3.350
  174   2HG1  VAL  21          2HG1      VAL  21  14.884   6.923  -4.319
  175   3HG1  VAL  21          3HG1      VAL  21  15.075   7.461  -2.652
  176   1HG2  VAL  21          1HG2      VAL  21  16.488   5.160  -2.467
  177   2HG2  VAL  21          2HG2      VAL  21  16.028   4.924  -4.153
  178   3HG2  VAL  21          3HG2      VAL  21  15.645   3.689  -2.953
  179    H    GLU  22           H        GLU  22  12.419   3.437  -1.372
  180    HA   GLU  22           HA       GLU  22   9.963   4.774  -1.751
  181   1HB   GLU  22          2HB       GLU  22  10.771   2.131  -1.280
  182   2HB   GLU  22          1HB       GLU  22   9.689   2.500   0.063
  183   1HG   GLU  22          2HG       GLU  22   9.065   2.822  -2.888
  184   2HG   GLU  22          1HG       GLU  22   8.389   1.608  -1.802
  185    H    MET  23           H        MET  23  12.097   4.968   0.822
  186    HA   MET  23           HA       MET  23   9.983   6.144   2.591
  187   1HB   MET  23          2HB       MET  23  12.454   4.618   3.462
  188   2HB   MET  23          1HB       MET  23  11.270   5.362   4.535
  189   1HG   MET  23          2HG       MET  23   9.521   3.883   3.682
  190   2HG   MET  23          1HG       MET  23  10.651   3.180   2.525
  191   1HE   MET  23          1HE       MET  23  11.554   4.068   6.476
  192   2HE   MET  23          2HE       MET  23  10.456   2.810   7.038
  193   3HE   MET  23          3HE       MET  23   9.856   4.087   5.984
  194    H    ALA  24           H        ALA  24  13.486   6.095   1.850
  195    HA   ALA  24           HA       ALA  24  14.034   8.562   3.221
  196   1HB   ALA  24          1HB       ALA  24  16.179   8.491   2.141
  197   2HB   ALA  24          2HB       ALA  24  15.566   7.443   0.861
  198   3HB   ALA  24          3HB       ALA  24  15.739   6.822   2.502
  199    H    LYS  25           H        LYS  25  12.008   8.094   0.736
  200    HA   LYS  25           HA       LYS  25  12.651   9.951  -1.282
  201   1HB   LYS  25          2HB       LYS  25  10.118   8.866  -0.129
  202   2HB   LYS  25          1HB       LYS  25   9.973  10.306  -1.131
  203   1HG   LYS  25          2HG       LYS  25  10.499   9.191  -3.052
  204   2HG   LYS  25          1HG       LYS  25  11.710   8.189  -2.262
  205   1HD   LYS  25          2HD       LYS  25   9.979   6.691  -2.875
  206   2HD   LYS  25          1HD       LYS  25   9.749   6.963  -1.148
  207   1HE   LYS  25          2HE       LYS  25   7.580   7.202  -2.081
  208   2HE   LYS  25          1HE       LYS  25   8.144   8.856  -1.842
  209   1HZ   LYS  25          1HZ       LYS  25   8.746   7.560  -4.393
  210   2HZ   LYS  25          2HZ       LYS  25   8.407   9.191  -4.057
  211   3HZ   LYS  25          3HZ       LYS  25   7.146   8.053  -4.124
  212    H    ALA  26           H        ALA  26  10.760  11.965  -1.299
  213    HA   ALA  26           HA       ALA  26  11.718  13.719   0.916
  214   1HB   ALA  26          1HB       ALA  26  12.065  14.428  -1.481
  215   2HB   ALA  26          2HB       ALA  26  11.139  15.579  -0.519
  216   3HB   ALA  26          3HB       ALA  26  10.311  14.509  -1.651
  217    H    LEU  27           H        LEU  27   8.987  11.968  -0.145
  218    HA   LEU  27           HA       LEU  27   7.085  13.766   1.265
  219   1HB   LEU  27          2HB       LEU  27   5.360  12.646   0.148
  220   2HB   LEU  27          1HB       LEU  27   6.664  12.581  -1.032
  221    HG   LEU  27           HG       LEU  27   7.261  10.305   0.158
  222   1HD1  LEU  27          1HD1      LEU  27   4.654   9.433   0.593
  223   2HD1  LEU  27          2HD1      LEU  27   4.675  11.013   1.367
  224   3HD1  LEU  27          3HD1      LEU  27   5.840   9.782   1.846
  225   1HD2  LEU  27          1HD2      LEU  27   6.526  10.543  -2.186
  226   2HD2  LEU  27          2HD2      LEU  27   4.845  10.611  -1.657
  227   3HD2  LEU  27          3HD2      LEU  27   5.779   9.131  -1.439
  228    H    PHE  28           H        PHE  28   9.153  11.298   2.049
  229    HA   PHE  28           HA       PHE  28   7.379  10.355   4.277
  230   1HB   PHE  28          2HB       PHE  28   9.361   8.938   2.543
  231   2HB   PHE  28          1HB       PHE  28   9.235   8.424   4.220
  232    HD1  PHE  28           1HD      PHE  28   8.012   7.802   1.018
  233    HD2  PHE  28           2HD      PHE  28   6.646   8.294   5.063
  234    HE1  PHE  28           1HE      PHE  28   5.956   6.526   0.480
  235    HE2  PHE  28           2HE      PHE  28   4.589   7.019   4.523
  236    HZ   PHE  28           HZ       PHE  28   4.244   6.135   2.232
  237    H    ASP  29           H        ASP  29  10.743  11.133   3.375
  238    HA   ASP  29           HA       ASP  29  12.338  12.315   4.655
  239   1HB   ASP  29          2HB       ASP  29  10.114  13.127   5.905
  240   2HB   ASP  29          1HB       ASP  29  10.749  12.089   7.181
  241    H    CYS  30           H        CYS  30  12.258   9.466   4.288
  242    HA   CYS  30           HA       CYS  30  13.216   7.503   5.141
  243   1HB   CYS  30          2HB       CYS  30  14.922   9.732   5.695
  244   2HB   CYS  30          1HB       CYS  30  15.019   8.639   7.072
  245    H    LYS  31           H        LYS  31  10.976   7.316   6.270
  246    HA   LYS  31           HA       LYS  31  10.782   7.876   9.094
  247   1HB   LYS  31          2HB       LYS  31   9.290   5.749   7.534
  248   2HB   LYS  31          1HB       LYS  31   8.783   6.501   9.040
  249   1HG   LYS  31          2HG       LYS  31   9.128   7.919   6.384
  250   2HG   LYS  31          1HG       LYS  31   7.587   7.469   7.102
  251   1HD   LYS  31          2HD       LYS  31   9.589   9.482   8.164
  252   2HD   LYS  31          1HD       LYS  31   7.960   9.800   7.579
  253   1HE   LYS  31          2HE       LYS  31   8.804   8.478  10.148
  254   2HE   LYS  31          1HE       LYS  31   7.673   9.806   9.904
  255   1HZ   LYS  31          1HZ       LYS  31   7.130   7.128   8.791
  256   2HZ   LYS  31          2HZ       LYS  31   6.038   8.386   9.121
  257   3HZ   LYS  31          3HZ       LYS  31   6.730   7.501  10.396
  258    H    LYS  32           H        LYS  32   9.768   5.015   9.566
  259    HA   LYS  32           HA       LYS  32  12.400   3.630   9.851
  260   1HB   LYS  32          2HB       LYS  32  11.767   2.958  12.148
  261   2HB   LYS  32          1HB       LYS  32  11.898   4.711  12.008
  262   1HG   LYS  32          2HG       LYS  32   9.414   4.797  11.623
  263   2HG   LYS  32          1HG       LYS  32   9.351   3.070  11.979
  264   1HD   LYS  32          2HD       LYS  32  10.411   5.203  13.858
  265   2HD   LYS  32          1HD       LYS  32   8.830   4.431  13.985
  266   1HE   LYS  32          2HE       LYS  32  10.205   2.201  13.982
  267   2HE   LYS  32          1HE       LYS  32  11.555   3.241  14.441
  268   1HZ   LYS  32          1HZ       LYS  32   9.028   2.756  15.888
  269   2HZ   LYS  32          2HZ       LYS  32   9.960   4.143  16.193
  270   3HZ   LYS  32          3HZ       LYS  32  10.619   2.599  16.451
  271    H    THR  33           H        THR  33   8.886   3.467   9.701
  272    HA   THR  33           HA       THR  33   9.122   0.625   8.802
  273    HB   THR  33           HB       THR  33   8.269   0.677  11.141
  274    HG1  THR  33           1HG      THR  33   6.073  -0.211  10.453
  275   1HG2  THR  33          1HG2      THR  33   5.896   2.182  10.028
  276   2HG2  THR  33          2HG2      THR  33   7.239   2.993  10.834
  277   3HG2  THR  33          3HG2      THR  33   6.257   1.823  11.716
  278    H    ASN  34           H        ASN  34   7.670   0.101   7.088
  279    HA   ASN  34           HA       ASN  34   5.660   2.092   6.281
  280   1HB   ASN  34          2HB       ASN  34   8.060   2.708   5.375
  281   2HB   ASN  34          1HB       ASN  34   7.727   1.431   4.207
  282   1HD2  ASN  34          1HD2      ASN  34   7.764   4.559   4.045
  283   2HD2  ASN  34          2HD2      ASN  34   6.310   4.918   3.248
  284    H    THR  35           H        THR  35   4.231   1.295   4.657
  285    HA   THR  35           HA       THR  35   4.599  -1.543   3.826
  286    HB   THR  35           HB       THR  35   2.180  -0.380   5.238
  287    HG1  THR  35           1HG      THR  35   4.246  -2.085   5.861
  288   1HG2  THR  35          1HG2      THR  35   2.512  -2.900   3.609
  289   2HG2  THR  35          2HG2      THR  35   1.257  -1.669   3.472
  290   3HG2  THR  35          3HG2      THR  35   1.278  -2.758   4.860
  291    H    PHE  36           H        PHE  36   3.354  -2.079   1.902
  292    HA   PHE  36           HA       PHE  36   1.884   0.135   0.587
  293   1HB   PHE  36          2HB       PHE  36   3.948  -1.175  -1.135
  294   2HB   PHE  36          1HB       PHE  36   3.273   0.446  -1.232
  295    HD1  PHE  36           1HD      PHE  36   5.938  -1.625   0.096
  296    HD2  PHE  36           2HD      PHE  36   4.045   2.210   0.385
  297    HE1  PHE  36           1HE      PHE  36   7.941  -0.730   1.228
  298    HE2  PHE  36           2HE      PHE  36   6.055   3.113   1.519
  299    HZ   PHE  36           HZ       PHE  36   8.009   1.639   1.928
  300    H    ILE  37           H        ILE  37   1.218  -0.824  -1.766
  301    HA   ILE  37           HA       ILE  37   0.522  -3.711  -1.397
  302    HB   ILE  37           HB       ILE  37  -1.277  -1.595  -2.596
  303   1HG1  ILE  37          2HG1      ILE  37  -1.953  -2.925  -0.004
  304   2HG1  ILE  37          1HG1      ILE  37  -0.713  -1.680   0.055
  305   1HG2  ILE  37          1HG2      ILE  37  -2.988  -3.398  -2.343
  306   2HG2  ILE  37          2HG2      ILE  37  -1.707  -4.491  -1.818
  307   3HG2  ILE  37          3HG2      ILE  37  -1.688  -3.832  -3.454
  308   1HD1  ILE  37          1HD1      ILE  37  -3.198  -1.045  -1.469
  309   2HD1  ILE  37          2HD1      ILE  37  -2.172   0.007  -0.493
  310   3HD1  ILE  37          3HD1      ILE  37  -3.307  -1.088   0.291
  311    H    TYR  38           H        TYR  38   0.944  -4.981  -3.167
  312    HA   TYR  38           HA       TYR  38   1.975  -3.582  -5.597
  313   1HB   TYR  38          2HB       TYR  38   3.419  -5.330  -4.675
  314   2HB   TYR  38          1HB       TYR  38   2.101  -6.497  -4.770
  315    HD1  TYR  38           1HD      TYR  38   3.816  -4.005  -6.994
  316    HD2  TYR  38           2HD      TYR  38   2.079  -7.917  -6.615
  317    HE1  TYR  38           1HE      TYR  38   4.425  -4.504  -9.346
  318    HE2  TYR  38           2HE      TYR  38   2.689  -8.415  -8.967
  319    HH   TYR  38           HH       TYR  38   4.324  -5.978 -10.996
  320    H    ALA  39           H        ALA  39   0.219  -3.054  -6.873
  321    HA   ALA  39           HA       ALA  39  -1.291  -5.274  -8.056
  322   1HB   ALA  39          1HB       ALA  39  -3.497  -4.406  -7.470
  323   2HB   ALA  39          2HB       ALA  39  -2.765  -3.071  -6.580
  324   3HB   ALA  39          3HB       ALA  39  -2.589  -4.724  -5.993
  325    H    LEU  40           H        LEU  40  -2.503  -4.548  -9.967
  326    HA   LEU  40           HA       LEU  40  -1.257  -2.145 -11.149
  327   1HB   LEU  40          2HB       LEU  40  -1.541  -3.151 -13.183
  328   2HB   LEU  40          1HB       LEU  40  -1.649  -4.597 -12.188
  329    HG   LEU  40           HG       LEU  40  -4.243  -3.903 -12.126
  330   1HD1  LEU  40          1HD1      LEU  40  -3.629  -1.853 -13.557
  331   2HD1  LEU  40          2HD1      LEU  40  -4.970  -2.839 -14.127
  332   3HD1  LEU  40          3HD1      LEU  40  -3.384  -2.992 -14.877
  333   1HD2  LEU  40          1HD2      LEU  40  -3.500  -6.055 -12.909
  334   2HD2  LEU  40          2HD2      LEU  40  -2.764  -5.341 -14.343
  335   3HD2  LEU  40          3HD2      LEU  40  -4.518  -5.370 -14.176
  336    HA   PRO  41           HA       PRO  41  -4.450   0.812 -10.552
  337   1HB   PRO  41          2HB       PRO  41  -4.675   0.931 -13.528
  338   2HB   PRO  41          1HB       PRO  41  -4.449   2.246 -12.360
  339   1HG   PRO  41          2HG       PRO  41  -2.459   1.166 -13.911
  340   2HG   PRO  41          1HG       PRO  41  -2.200   2.049 -12.402
  341   1HD   PRO  41          2HD       PRO  41  -1.733  -0.763 -12.928
  342   2HD   PRO  41          1HD       PRO  41  -1.389   0.151 -11.445
  343    H    GLY  42           H        GLY  42  -5.227  -1.175 -13.433
  344   1HA   GLY  42          2HA       GLY  42  -8.014  -1.007 -13.313
  345   2HA   GLY  42          1HA       GLY  42  -7.167  -2.426 -13.920
  346    H    ARG  43           H        ARG  43  -5.995  -3.487 -11.712
  347    HA   ARG  43           HA       ARG  43  -8.150  -4.795 -10.382
  348   1HB   ARG  43          2HB       ARG  43  -5.204  -4.597  -9.715
  349   2HB   ARG  43          1HB       ARG  43  -6.331  -5.639  -8.843
  350   1HG   ARG  43          2HG       ARG  43  -6.948  -6.680 -11.062
  351   2HG   ARG  43          1HG       ARG  43  -5.621  -5.770 -11.785
  352   1HD   ARG  43          2HD       ARG  43  -4.001  -6.880 -10.383
  353   2HD   ARG  43          1HD       ARG  43  -5.274  -7.649  -9.434
  354    HE   ARG  43           HE       ARG  43  -5.394  -8.318 -12.273
  355   1HH1  ARG  43          1HH2      ARG  43  -4.033  -8.999  -9.179
  356   2HH1  ARG  43          2HH2      ARG  43  -3.683 -10.654  -9.549
  357   1HH2  ARG  43          1HH1      ARG  43  -4.945 -10.477 -12.774
  358   2HH2  ARG  43          2HH1      ARG  43  -4.199 -11.491 -11.585
  359    H    VAL  44           H        VAL  44  -6.293  -1.914  -9.568
  360    HA   VAL  44           HA       VAL  44  -7.215  -1.837  -6.806
  361    HB   VAL  44           HB       VAL  44  -6.034   0.370  -8.518
  362   1HG1  VAL  44          1HG1      VAL  44  -5.324   1.014  -6.021
  363   2HG1  VAL  44          2HG1      VAL  44  -6.793   0.124  -5.631
  364   3HG1  VAL  44          3HG1      VAL  44  -6.869   1.528  -6.695
  365   1HG2  VAL  44          1HG2      VAL  44  -4.683  -1.806  -8.152
  366   2HG2  VAL  44          2HG2      VAL  44  -4.599  -1.317  -6.460
  367   3HG2  VAL  44          3HG2      VAL  44  -3.902  -0.288  -7.711
  368    H    LYS  45           H        LYS  45  -7.938   0.257  -9.634
  369    HA   LYS  45           HA       LYS  45 -10.158   1.551  -8.360
  370   1HB   LYS  45          2HB       LYS  45 -10.733   2.375 -10.568
  371   2HB   LYS  45          1HB       LYS  45  -8.976   2.401 -10.414
  372   1HG   LYS  45          2HG       LYS  45  -8.984   0.092 -11.504
  373   2HG   LYS  45          1HG       LYS  45 -10.677   0.386 -11.897
  374   1HD   LYS  45          2HD       LYS  45  -8.429   2.267 -12.670
  375   2HD   LYS  45          1HD       LYS  45  -9.061   1.014 -13.737
  376   1HE   LYS  45          2HE       LYS  45 -10.554   3.395 -12.610
  377   2HE   LYS  45          1HE       LYS  45 -10.207   3.048 -14.302
  378   1HZ   LYS  45          1HZ       LYS  45 -12.423   2.403 -13.941
  379   2HZ   LYS  45          2HZ       LYS  45 -12.050   1.603 -12.490
  380   3HZ   LYS  45          3HZ       LYS  45 -11.536   0.957 -13.975
  381    H    ALA  46           H        ALA  46  -9.758  -1.542  -9.796
  382    HA   ALA  46           HA       ALA  46 -12.552  -2.025 -10.437
  383   1HB   ALA  46          1HB       ALA  46 -10.934  -3.362 -11.591
  384   2HB   ALA  46          2HB       ALA  46 -11.738  -4.455 -10.464
  385   3HB   ALA  46          3HB       ALA  46 -10.140  -3.819 -10.083
  386    H    LEU  47           H        LEU  47 -10.432  -2.682  -7.664
  387    HA   LEU  47           HA       LEU  47 -12.307  -4.268  -6.189
  388   1HB   LEU  47          2HB       LEU  47  -9.918  -2.596  -5.408
  389   2HB   LEU  47          1HB       LEU  47 -10.900  -3.402  -4.184
  390    HG   LEU  47           HG       LEU  47  -9.939  -5.000  -6.541
  391   1HD1  LEU  47          1HD1      LEU  47  -7.850  -5.521  -5.338
  392   2HD1  LEU  47          2HD1      LEU  47  -8.270  -4.345  -4.093
  393   3HD1  LEU  47          3HD1      LEU  47  -7.933  -3.806  -5.738
  394   1HD2  LEU  47          1HD2      LEU  47 -11.532  -5.812  -4.687
  395   2HD2  LEU  47          2HD2      LEU  47 -10.133  -5.753  -3.616
  396   3HD2  LEU  47          3HD2      LEU  47 -10.126  -6.824  -5.017
  397    H    CYS  48           H        CYS  48 -12.331  -0.959  -6.991
  398    HA   CYS  48           HA       CYS  48 -14.336  -0.423  -4.823
  399   1HB   CYS  48          2HB       CYS  48 -12.173   1.317  -5.994
  400   2HB   CYS  48          1HB       CYS  48 -13.625   2.052  -5.317
  401    H    LYS  49           H        LYS  49 -14.851  -1.569  -7.460
  402    HA   LYS  49           HA       LYS  49 -16.046   0.680  -8.970
  403   1HB   LYS  49          2HB       LYS  49 -16.281  -0.835 -10.768
  404   2HB   LYS  49          1HB       LYS  49 -14.752  -1.293 -10.018
  405   1HG   LYS  49          2HG       LYS  49 -16.141  -2.969  -8.633
  406   2HG   LYS  49          1HG       LYS  49 -17.430  -2.675  -9.801
  407   1HD   LYS  49          2HD       LYS  49 -15.810  -3.259 -11.634
  408   2HD   LYS  49          1HD       LYS  49 -14.649  -3.724 -10.391
  409   1HE   LYS  49          2HE       LYS  49 -16.070  -5.475  -9.588
  410   2HE   LYS  49          1HE       LYS  49 -17.435  -4.893 -10.541
  411   1HZ   LYS  49          1HZ       LYS  49 -16.365  -5.516 -12.537
  412   2HZ   LYS  49          2HZ       LYS  49 -16.223  -6.845 -11.488
  413   3HZ   LYS  49          3HZ       LYS  49 -14.894  -5.821 -11.751
  414    H    ASN  50           H        ASN  50 -18.128   1.238  -8.660
  415    HA   ASN  50           HA       ASN  50 -20.446   0.984  -8.327
  416   1HB   ASN  50          2HB       ASN  50 -19.862  -1.471  -9.189
  417   2HB   ASN  50          1HB       ASN  50 -20.183  -1.882  -7.503
  418   1HD2  ASN  50          1HD2      ASN  50 -21.740   0.550  -9.672
  419   2HD2  ASN  50          2HD2      ASN  50 -23.311  -0.062  -9.468
  420    H    ILE  51           H        ILE  51 -18.128   1.101  -6.158
  421    HA   ILE  51           HA       ILE  51 -19.144   0.035  -3.738
  422    HB   ILE  51           HB       ILE  51 -17.613   2.617  -4.181
  423   1HG1  ILE  51          2HG1      ILE  51 -16.477   0.612  -5.043
  424   2HG1  ILE  51          1HG1      ILE  51 -15.644   1.234  -3.622
  425   1HG2  ILE  51          1HG2      ILE  51 -18.407   2.813  -1.987
  426   2HG2  ILE  51          2HG2      ILE  51 -16.854   2.013  -1.759
  427   3HG2  ILE  51          3HG2      ILE  51 -18.344   1.072  -1.706
  428   1HD1  ILE  51          1HD1      ILE  51 -17.232  -1.276  -3.953
  429   2HD1  ILE  51          2HD1      ILE  51 -17.299  -0.480  -2.381
  430   3HD1  ILE  51          3HD1      ILE  51 -15.750  -1.000  -3.041
  431    H    ARG  52           H        ARG  52 -19.959   1.624  -1.912
  432    HA   ARG  52           HA       ARG  52 -22.319   3.056  -3.049
  433   1HB   ARG  52          2HB       ARG  52 -23.339   2.748  -0.823
  434   2HB   ARG  52          1HB       ARG  52 -22.853   1.204  -1.523
  435   1HG   ARG  52          2HG       ARG  52 -20.607   1.627  -0.227
  436   2HG   ARG  52          1HG       ARG  52 -21.584   2.741   0.731
  437   1HD   ARG  52          2HD       ARG  52 -21.701   0.641   1.861
  438   2HD   ARG  52          1HD       ARG  52 -23.243   0.822   1.024
  439    HE   ARG  52           HE       ARG  52 -21.761  -0.557  -0.815
  440   1HH1  ARG  52          1HH2      ARG  52 -22.315  -0.901   2.572
  441   2HH1  ARG  52          2HH2      ARG  52 -22.144  -2.624   2.560
  442   1HH2  ARG  52          1HH1      ARG  52 -21.536  -2.806  -0.849
  443   2HH2  ARG  52          2HH1      ARG  52 -21.703  -3.703   0.623
  444    H    ASP  53           H        ASP  53 -20.031   3.338  -0.324
  445    HA   ASP  53           HA       ASP  53 -19.518   6.131  -0.867
  446   1HB   ASP  53          2HB       ASP  53 -21.910   6.044   0.148
  447   2HB   ASP  53          1HB       ASP  53 -21.089   5.680   1.665
  448    H    ASN  54           H        ASN  54 -19.034   6.869   1.845
  449    HA   ASN  54           HA       ASN  54 -16.413   5.782   2.192
  450   1HB   ASN  54          2HB       ASN  54 -16.544   6.922   4.455
  451   2HB   ASN  54          1HB       ASN  54 -16.875   7.968   3.074
  452   1HD2  ASN  54          1HD2      ASN  54 -18.981   8.885   2.897
  453   2HD2  ASN  54          2HD2      ASN  54 -20.214   8.610   4.032
  454    H    THR  55           H        THR  55 -16.170   3.633   2.633
  455    HA   THR  55           HA       THR  55 -17.281   2.617   5.162
  456    HB   THR  55           HB       THR  55 -17.762   0.878   2.764
  457    HG1  THR  55           1HG      THR  55 -18.683   3.039   2.442
  458   1HG2  THR  55          1HG2      THR  55 -19.583   0.046   4.183
  459   2HG2  THR  55          2HG2      THR  55 -19.233   1.291   5.382
  460   3HG2  THR  55          3HG2      THR  55 -18.057   0.016   5.065
  461    H    ASP  56           H        ASP  56 -16.346   0.405   5.632
  462    HA   ASP  56           HA       ASP  56 -13.539   0.339   4.688
  463   1HB   ASP  56          2HB       ASP  56 -14.929  -1.235   6.875
  464   2HB   ASP  56          1HB       ASP  56 -13.196  -1.245   6.545
  465    H    VAL  57           H        VAL  57 -12.638  -1.442   3.623
  466    HA   VAL  57           HA       VAL  57 -14.532  -3.621   2.830
  467    HB   VAL  57           HB       VAL  57 -13.756  -3.570   0.591
  468   1HG1  VAL  57          1HG1      VAL  57 -14.220  -1.302  -0.138
  469   2HG1  VAL  57          2HG1      VAL  57 -13.821  -0.665   1.457
  470   3HG1  VAL  57          3HG1      VAL  57 -15.257  -1.666   1.242
  471   1HG2  VAL  57          1HG2      VAL  57 -11.511  -1.885   1.709
  472   2HG2  VAL  57          2HG2      VAL  57 -11.856  -1.929  -0.019
  473   3HG2  VAL  57          3HG2      VAL  57 -11.398  -3.407   0.827
  474    H    LEU  58           H        LEU  58 -13.285  -5.592   2.050
  475    HA   LEU  58           HA       LEU  58 -10.641  -5.868   3.409
  476   1HB   LEU  58          2HB       LEU  58 -13.013  -6.868   4.447
  477   2HB   LEU  58          1HB       LEU  58 -12.389  -8.248   3.551
  478    HG   LEU  58           HG       LEU  58 -11.633  -8.222   5.919
  479   1HD1  LEU  58          1HD1      LEU  58  -9.392  -7.752   3.936
  480   2HD1  LEU  58          2HD1      LEU  58 -10.269  -9.270   4.134
  481   3HD1  LEU  58          3HD1      LEU  58  -9.281  -8.644   5.453
  482   1HD2  LEU  58          1HD2      LEU  58  -9.684  -6.052   5.466
  483   2HD2  LEU  58          2HD2      LEU  58 -10.630  -6.433   6.902
  484   3HD2  LEU  58          3HD2      LEU  58 -11.357  -5.507   5.590
  485    H    SER  59           H        SER  59  -9.150  -7.046   2.161
  486    HA   SER  59           HA       SER  59  -9.699  -7.548  -0.563
  487   1HB   SER  59          2HB       SER  59  -7.450  -7.733  -0.434
  488   2HB   SER  59          1HB       SER  59  -7.513  -8.151   1.270
  489    HG   SER  59           HG       SER  59  -6.855  -9.996   0.394
  490    H    ARG  60           H        ARG  60  -9.924  -9.607  -1.702
  491    HA   ARG  60           HA       ARG  60 -12.025 -11.212  -0.586
  492   1HB   ARG  60          2HB       ARG  60 -10.292 -12.031  -2.917
  493   2HB   ARG  60          1HB       ARG  60 -11.994 -12.398  -2.637
  494   1HG   ARG  60          2HG       ARG  60 -10.813  -9.676  -3.260
  495   2HG   ARG  60          1HG       ARG  60 -11.838 -10.644  -4.318
  496   1HD   ARG  60          2HD       ARG  60 -13.582 -10.553  -2.424
  497   2HD   ARG  60          1HD       ARG  60 -12.594  -9.261  -1.743
  498    HE   ARG  60           HE       ARG  60 -12.998  -8.526  -4.405
  499   1HH1  ARG  60          1HH2      ARG  60 -14.915  -9.341  -1.657
  500   2HH1  ARG  60          2HH2      ARG  60 -16.236  -8.315  -2.109
  501   1HH2  ARG  60          1HH1      ARG  60 -14.711  -7.184  -5.010
  502   2HH2  ARG  60          2HH1      ARG  60 -16.121  -7.094  -4.008
  503    H    ASP  61           H        ASP  61  -8.524 -11.794  -0.979
  504    HA   ASP  61           HA       ASP  61  -8.768 -13.949   1.046
  505   1HB   ASP  61          2HB       ASP  61  -7.549 -14.371  -1.699
  506   2HB   ASP  61          1HB       ASP  61  -7.461 -15.520  -0.364
  507    H    ALA  62           H        ALA  62  -6.152 -13.091  -1.235
  508    HA   ALA  62           HA       ALA  62  -4.634 -11.915   1.030
  509   1HB   ALA  62          1HB       ALA  62  -3.388 -14.019  -0.743
  510   2HB   ALA  62          2HB       ALA  62  -4.149 -14.419   0.796
  511   3HB   ALA  62          3HB       ALA  62  -2.751 -13.344   0.757
  512    H    PHE  63           H        PHE  63  -2.606 -10.844   0.244
  513    HA   PHE  63           HA       PHE  63  -2.493 -10.235  -2.639
  514   1HB   PHE  63          2HB       PHE  63  -3.389  -8.279  -0.539
  515   2HB   PHE  63          1HB       PHE  63  -2.433  -7.693  -1.900
  516    HD1  PHE  63           1HD      PHE  63  -5.575  -9.406  -0.940
  517    HD2  PHE  63           2HD      PHE  63  -3.346  -7.575  -4.118
  518    HE1  PHE  63           1HE      PHE  63  -7.600  -9.433  -2.373
  519    HE2  PHE  63           2HE      PHE  63  -5.370  -7.602  -5.554
  520    HZ   PHE  63           HZ       PHE  63  -7.496  -8.531  -4.681
  521    H    LEU  64           H        LEU  64  -0.399  -9.773  -3.232
  522    HA   LEU  64           HA       LEU  64   1.683 -10.068  -1.205
  523   1HB   LEU  64          2HB       LEU  64   1.739 -10.924  -3.633
  524   2HB   LEU  64          1HB       LEU  64   2.092  -9.259  -4.089
  525    HG   LEU  64           HG       LEU  64   3.707 -10.802  -2.039
  526   1HD1  LEU  64          1HD1      LEU  64   3.886 -11.912  -4.216
  527   2HD1  LEU  64          2HD1      LEU  64   5.385 -11.061  -3.850
  528   3HD1  LEU  64          3HD1      LEU  64   4.235 -10.368  -4.994
  529   1HD2  LEU  64          1HD2      LEU  64   4.206  -8.558  -1.673
  530   2HD2  LEU  64          2HD2      LEU  64   3.885  -8.101  -3.346
  531   3HD2  LEU  64          3HD2      LEU  64   5.381  -8.936  -2.931
  532    H    LEU  65           H        LEU  65   2.147  -8.313   0.078
  533    HA   LEU  65           HA       LEU  65   2.303  -5.659  -1.287
  534   1HB   LEU  65          2HB       LEU  65   2.062  -5.218   1.497
  535   2HB   LEU  65          1HB       LEU  65   0.890  -4.844   0.250
  536    HG   LEU  65           HG       LEU  65   1.046  -7.630   1.353
  537   1HD1  LEU  65          1HD1      LEU  65  -0.396  -5.235   2.534
  538   2HD1  LEU  65          2HD1      LEU  65   0.892  -6.162   3.300
  539   3HD1  LEU  65          3HD1      LEU  65  -0.679  -6.909   3.012
  540   1HD2  LEU  65          1HD2      LEU  65  -1.160  -5.883   0.191
  541   2HD2  LEU  65          2HD2      LEU  65  -1.367  -7.550   0.723
  542   3HD2  LEU  65          3HD2      LEU  65  -0.331  -7.187  -0.654
  543    HA   PRO  66           HA       PRO  66   6.553  -5.998   0.151
  544   1HB   PRO  66          2HB       PRO  66   7.420  -3.613  -0.889
  545   2HB   PRO  66          1HB       PRO  66   7.238  -5.088  -1.854
  546   1HG   PRO  66          2HG       PRO  66   5.502  -2.705  -1.718
  547   2HG   PRO  66          1HG       PRO  66   5.817  -3.795  -3.069
  548   1HD   PRO  66          2HD       PRO  66   3.524  -3.823  -1.499
  549   2HD   PRO  66          1HD       PRO  66   4.086  -5.167  -2.514
  550    H    GLN  67           H        GLN  67   7.642  -5.081   1.991
  551    HA   GLN  67           HA       GLN  67   6.505  -2.573   3.091
  552   1HB   GLN  67          2HB       GLN  67   6.810  -4.927   4.942
  553   2HB   GLN  67          1HB       GLN  67   5.815  -3.483   5.134
  554   1HG   GLN  67          2HG       GLN  67   4.372  -4.264   3.262
  555   2HG   GLN  67          1HG       GLN  67   5.335  -5.738   3.164
  556   1HE2  GLN  67          1HE2      GLN  67   5.387  -5.020   6.380
  557   2HE2  GLN  67          2HE2      GLN  67   4.022  -5.884   6.899
  558    H    CYS  68           H        CYS  68   7.868  -1.531   4.596
  559    HA   CYS  68           HA       CYS  68  10.707  -2.476   4.506
  560   1HB   CYS  68          2HB       CYS  68   9.744   0.276   5.289
  561   2HB   CYS  68          1HB       CYS  68  11.358  -0.204   4.759
  562    H    ASP  69           H        ASP  69  11.922  -2.556   6.437
  563    HA   ASP  69           HA       ASP  69  10.500  -2.004   8.991
  564   1HB   ASP  69          2HB       ASP  69  10.174  -4.430   8.386
  565   2HB   ASP  69          1HB       ASP  69  11.927  -4.623   8.443
  566    H    ARG  70           H        ARG  70  11.887  -0.524   9.876
  567    HA   ARG  70           HA       ARG  70  14.688  -0.389   9.288
  568   1HB   ARG  70          2HB       ARG  70  13.420   1.551  10.109
  569   2HB   ARG  70          1HB       ARG  70  13.150   0.736  11.648
  570   1HG   ARG  70          2HG       ARG  70  15.991   0.847  10.843
  571   2HG   ARG  70          1HG       ARG  70  15.264   2.430  11.118
  572   1HD   ARG  70          2HD       ARG  70  14.950   0.168  13.095
  573   2HD   ARG  70          1HD       ARG  70  16.312   1.285  13.160
  574    HE   ARG  70           HE       ARG  70  13.564   1.895  13.916
  575   1HH1  ARG  70          1HH2      ARG  70  16.566   3.083  12.707
  576   2HH1  ARG  70          2HH2      ARG  70  16.305   4.700  13.271
  577   1HH2  ARG  70          1HH1      ARG  70  13.206   4.000  14.658
  578   2HH2  ARG  70          2HH1      ARG  70  14.403   5.219  14.375
  579    H    ILE  71           H        ILE  71  16.221  -1.773   9.956
  580    HA   ILE  71           HA       ILE  71  16.029  -2.933  12.699
  581    HB   ILE  71           HB       ILE  71  16.670  -4.465  10.156
  582   1HG1  ILE  71          2HG1      ILE  71  14.459  -4.887  12.190
  583   2HG1  ILE  71          1HG1      ILE  71  14.236  -4.015  10.673
  584   1HG2  ILE  71          1HG2      ILE  71  18.120  -5.249  11.917
  585   2HG2  ILE  71          2HG2      ILE  71  16.805  -6.414  11.770
  586   3HG2  ILE  71          3HG2      ILE  71  16.798  -5.238  13.084
  587   1HD1  ILE  71          1HD1      ILE  71  13.550  -6.363  10.420
  588   2HD1  ILE  71          2HD1      ILE  71  15.149  -6.895  10.942
  589   3HD1  ILE  71          3HD1      ILE  71  14.963  -6.022   9.421
  590    H    LYS  72           H        LYS  72  18.047  -2.372   9.821
  591    HA   LYS  72           HA       LYS  72  20.439  -2.203  11.619
  592   1HB   LYS  72          2HB       LYS  72  20.309  -2.665   8.622
  593   2HB   LYS  72          1HB       LYS  72  21.776  -2.633   9.599
  594   1HG   LYS  72          2HG       LYS  72  21.108  -4.598  10.812
  595   2HG   LYS  72          1HG       LYS  72  19.492  -4.555  10.107
  596   1HD   LYS  72          2HD       LYS  72  20.470  -4.938   7.864
  597   2HD   LYS  72          1HD       LYS  72  22.076  -5.025   8.590
  598   1HE   LYS  72          2HE       LYS  72  19.826  -6.822   9.501
  599   2HE   LYS  72          1HE       LYS  72  20.879  -7.262   8.157
  600   1HZ   LYS  72          1HZ       LYS  72  22.190  -6.338  10.585
  601   2HZ   LYS  72          2HZ       LYS  72  22.636  -7.575   9.508
  602   3HZ   LYS  72          3HZ       LYS  72  21.433  -7.853  10.675
  603    H    LEU  73           H        LEU  73  21.554  -0.267  11.683
  604    HA   LEU  73           HA       LEU  73  21.832   2.050  11.454
  605   1HB   LEU  73          2HB       LEU  73  21.208   1.826   8.529
  606   2HB   LEU  73          1HB       LEU  73  22.529   2.671   9.328
  607    HG   LEU  73           HG       LEU  73  22.286  -0.331   9.000
  608   1HD1  LEU  73          1HD1      LEU  73  24.205  -0.094   7.529
  609   2HD1  LEU  73          2HD1      LEU  73  24.287   1.637   7.858
  610   3HD1  LEU  73          3HD1      LEU  73  22.921   0.974   6.961
  611   1HD2  LEU  73          1HD2      LEU  73  23.387   0.020  11.081
  612   2HD2  LEU  73          2HD2      LEU  73  24.244   1.437  10.476
  613   3HD2  LEU  73          3HD2      LEU  73  24.696  -0.173   9.917
  614    HA   PRO  74           HA       PRO  74  17.829   3.935  11.082
  615   1HB   PRO  74          2HB       PRO  74  18.359   6.508  10.453
  616   2HB   PRO  74          1HB       PRO  74  18.872   5.785  11.989
  617   1HG   PRO  74          2HG       PRO  74  20.478   6.513   9.635
  618   2HG   PRO  74          1HG       PRO  74  20.968   6.328  11.325
  619   1HD   PRO  74          2HD       PRO  74  21.281   4.425   9.182
  620   2HD   PRO  74          1HD       PRO  74  21.762   4.235  10.882
  621    H    CYS  75           H        CYS  75  18.935   6.108   8.651
  622    HA   CYS  75           HA       CYS  75  16.754   6.046   6.980
  623   1HB   CYS  75          2HB       CYS  75  19.432   6.967   6.889
  624   2HB   CYS  75          1HB       CYS  75  19.121   6.162   5.354
  625    H    HIS  76           H        HIS  76  18.911   3.431   7.499
  626    HA   HIS  76           HA       HIS  76  18.312   2.144   4.901
  627   1HB   HIS  76          2HB       HIS  76  20.549   1.987   6.266
  628   2HB   HIS  76          1HB       HIS  76  19.685   0.768   7.201
  629    HD1  HIS  76           1HD      HIS  76  21.436   1.293   4.002
  630    HD2  HIS  76           2HD      HIS  76  18.760  -1.497   5.569
  631    HE1  HIS  76           1HE      HIS  76  21.508  -0.716   2.458
  632    HE2  HIS  76           2HE      HIS  76  19.884  -2.420   3.403
  633    H    TYR  77           H        TYR  77  17.012   0.261   4.711
  634    HA   TYR  77           HA       TYR  77  15.510  -0.575   7.152
  635   1HB   TYR  77          2HB       TYR  77  14.124  -0.200   4.503
  636   2HB   TYR  77          1HB       TYR  77  13.407  -0.350   6.106
  637    HD1  TYR  77           1HD      TYR  77  13.823   1.500   7.805
  638    HD2  TYR  77           2HD      TYR  77  14.712   1.922   3.626
  639    HE1  TYR  77           1HE      TYR  77  13.864   3.963   8.062
  640    HE2  TYR  77           2HE      TYR  77  14.754   4.391   3.882
  641    HH   TYR  77           HH       TYR  77  14.313   6.097   5.262
  642    H    LYS  78           H        LYS  78  14.218  -2.626   6.657
  643    HA   LYS  78           HA       LYS  78  15.883  -4.423   4.940
  644   1HB   LYS  78          2HB       LYS  78  15.621  -4.897   7.448
  645   2HB   LYS  78          1HB       LYS  78  13.933  -5.264   7.097
  646   1HG   LYS  78          2HG       LYS  78  14.863  -7.380   6.877
  647   2HG   LYS  78          1HG       LYS  78  14.996  -6.808   5.216
  648   1HD   LYS  78          2HD       LYS  78  17.317  -6.090   5.638
  649   2HD   LYS  78          1HD       LYS  78  17.187  -6.641   7.309
  650   1HE   LYS  78          2HE       LYS  78  16.783  -8.441   4.905
  651   2HE   LYS  78          1HE       LYS  78  18.310  -8.294   5.776
  652   1HZ   LYS  78          1HZ       LYS  78  17.474  -9.322   7.614
  653   2HZ   LYS  78          2HZ       LYS  78  16.575 -10.120   6.413
  654   3HZ   LYS  78          3HZ       LYS  78  15.873  -8.855   7.304
  655    H    LEU  79           H        LEU  79  14.806  -5.775   3.429
  656    HA   LEU  79           HA       LEU  79  12.134  -4.789   2.635
  657   1HB   LEU  79          2HB       LEU  79  14.282  -5.383   1.128
  658   2HB   LEU  79          1HB       LEU  79  13.501  -6.964   1.111
  659    HG   LEU  79           HG       LEU  79  12.213  -4.333   0.320
  660   1HD1  LEU  79          1HD1      LEU  79  13.924  -5.431  -1.249
  661   2HD1  LEU  79          2HD1      LEU  79  12.325  -5.115  -1.923
  662   3HD1  LEU  79          3HD1      LEU  79  12.760  -6.747  -1.415
  663   1HD2  LEU  79          1HD2      LEU  79  10.475  -5.658   1.230
  664   2HD2  LEU  79          2HD2      LEU  79  11.167  -7.154   0.602
  665   3HD2  LEU  79          3HD2      LEU  79  10.405  -6.004  -0.497
  666    H    SER  80           H        SER  80  10.313  -5.862   3.181
  667    HA   SER  80           HA       SER  80  10.390  -8.809   3.533
  668   1HB   SER  80          2HB       SER  80  10.737  -8.008   5.798
  669   2HB   SER  80          1HB       SER  80   9.430  -6.841   5.632
  670    HG   SER  80           HG       SER  80   9.130  -9.655   5.392
  671    H    SER  81           H        SER  81   8.579  -9.706   2.620
  672    HA   SER  81           HA       SER  81   6.127  -8.031   2.362
  673   1HB   SER  81          2HB       SER  81   7.047  -9.655   0.005
  674   2HB   SER  81          1HB       SER  81   5.974  -8.259   0.043
  675    HG   SER  81           HG       SER  81   8.653  -8.023   0.871
  676    H    SER  82           H        SER  82   4.201  -9.361   1.853
  677    HA   SER  82           HA       SER  82   4.422 -12.267   1.964
  678   1HB   SER  82          2HB       SER  82   4.682 -12.038   4.302
  679   2HB   SER  82          1HB       SER  82   3.563 -10.679   4.382
  680    HG   SER  82           HG       SER  82   1.893 -12.149   3.821
  681    H    THR  83           H        THR  83   2.190 -13.262   2.002
  682    HA   THR  83           HA       THR  83   0.338 -11.506   0.491
  683    HB   THR  83           HB       THR  83  -0.590 -14.058   0.211
  684    HG1  THR  83           1HG      THR  83   1.406 -14.583   1.487
  685   1HG2  THR  83          1HG2      THR  83  -0.163 -12.561  -1.642
  686   2HG2  THR  83          2HG2      THR  83   0.726 -14.056  -1.933
  687   3HG2  THR  83          3HG2      THR  83   1.573 -12.627  -1.342
  688    H    ASN  84           H        ASN  84  -1.369 -10.749   1.625
  689    HA   ASN  84           HA       ASN  84  -2.907 -12.532   3.366
  690   1HB   ASN  84          2HB       ASN  84  -2.682 -11.169   5.392
  691   2HB   ASN  84          1HB       ASN  84  -1.096 -11.754   4.888
  692   1HD2  ASN  84          1HD2      ASN  84  -1.604  -9.317   6.480
  693   2HD2  ASN  84          2HD2      ASN  84  -1.018  -8.013   5.564
  694    H    THR  85           H        THR  85  -4.944 -11.452   4.077
  695    HA   THR  85           HA       THR  85  -6.040  -9.808   2.007
  696    HB   THR  85           HB       THR  85  -7.498  -9.595   4.520
  697    HG1  THR  85           1HG      THR  85  -7.801 -11.920   4.657
  698   1HG2  THR  85          1HG2      THR  85  -7.950 -10.924   1.843
  699   2HG2  THR  85          2HG2      THR  85  -8.708  -9.465   2.479
  700   3HG2  THR  85          3HG2      THR  85  -9.124 -11.037   3.150
  701    H    ILE  86           H        ILE  86  -7.180  -7.618   2.728
  702    HA   ILE  86           HA       ILE  86  -5.440  -6.051   4.551
  703    HB   ILE  86           HB       ILE  86  -4.875  -4.415   2.889
  704   1HG1  ILE  86          2HG1      ILE  86  -6.730  -5.967   1.049
  705   2HG1  ILE  86          1HG1      ILE  86  -7.012  -4.346   1.680
  706   1HG2  ILE  86          1HG2      ILE  86  -3.556  -5.717   1.342
  707   2HG2  ILE  86          2HG2      ILE  86  -4.620  -7.110   1.529
  708   3HG2  ILE  86          3HG2      ILE  86  -3.598  -6.593   2.870
  709   1HD1  ILE  86          1HD1      ILE  86  -4.818  -3.675   0.558
  710   2HD1  ILE  86          2HD1      ILE  86  -6.162  -4.036  -0.526
  711   3HD1  ILE  86          3HD1      ILE  86  -4.885  -5.226  -0.278
  712    H    CYS  87           H        CYS  87  -6.455  -4.114   5.297
  713    HA   CYS  87           HA       CYS  87  -9.369  -3.930   4.649
  714   1HB   CYS  87          2HB       CYS  87  -9.184  -4.479   6.957
  715   2HB   CYS  87          1HB       CYS  87  -7.815  -3.401   7.188
  716    H    ILE  88           H        ILE  88  -9.990  -2.048   3.688
  717    HA   ILE  88           HA       ILE  88  -8.396   0.409   4.138
  718    HB   ILE  88           HB       ILE  88  -7.232   0.149   2.211
  719   1HG1  ILE  88          2HG1      ILE  88  -9.915   0.292   0.793
  720   2HG1  ILE  88          1HG1      ILE  88  -9.057   1.696   1.429
  721   1HG2  ILE  88          1HG2      ILE  88  -9.218  -2.033   1.538
  722   2HG2  ILE  88          2HG2      ILE  88  -7.596  -2.232   2.196
  723   3HG2  ILE  88          3HG2      ILE  88  -7.811  -1.648   0.549
  724   1HD1  ILE  88          1HD1      ILE  88  -7.803   1.792  -0.425
  725   2HD1  ILE  88          2HD1      ILE  88  -8.678   0.411  -1.083
  726   3HD1  ILE  88          3HD1      ILE  88  -7.213   0.155  -0.137
  727    H    THR  89           H        THR  89  -9.570   2.353   3.367
  728    HA   THR  89           HA       THR  89 -12.512   1.810   3.265
  729    HB   THR  89           HB       THR  89 -10.862   3.861   4.619
  730    HG1  THR  89           1HG      THR  89 -12.410   3.563   6.133
  731   1HG2  THR  89          1HG2      THR  89 -13.465   4.535   3.230
  732   2HG2  THR  89          2HG2      THR  89 -11.923   5.381   3.094
  733   3HG2  THR  89          3HG2      THR  89 -12.841   5.459   4.596
  734    H    CYS  90           H        CYS  90 -13.630   2.404   1.524
  735    HA   CYS  90           HA       CYS  90 -12.282   4.096  -0.549
  736   1HB   CYS  90          2HB       CYS  90 -13.090   1.495  -0.840
  737   2HB   CYS  90          1HB       CYS  90 -14.540   2.348  -1.367
  738    H    VAL  91           H        VAL  91 -14.196   5.060  -2.045
  739    HA   VAL  91           HA       VAL  91 -16.578   5.757  -0.469
  740    HB   VAL  91           HB       VAL  91 -15.133   7.426   0.389
  741   1HG1  VAL  91          1HG1      VAL  91 -14.063   8.949  -1.613
  742   2HG1  VAL  91          2HG1      VAL  91 -13.998   7.347  -2.346
  743   3HG1  VAL  91          3HG1      VAL  91 -13.203   7.642  -0.800
  744   1HG2  VAL  91          1HG2      VAL  91 -16.437   9.253  -0.055
  745   2HG2  VAL  91          2HG2      VAL  91 -17.403   8.095  -0.965
  746   3HG2  VAL  91          3HG2      VAL  91 -16.229   9.115  -1.798
  747    H    ASN  92           H        ASN  92 -15.557   7.924  -2.898
  748    HA   ASN  92           HA       ASN  92 -17.845   7.329  -4.557
  749   1HB   ASN  92          2HB       ASN  92 -15.438   9.128  -4.947
  750   2HB   ASN  92          1HB       ASN  92 -16.743   9.000  -6.126
  751   1HD2  ASN  92          1HD2      ASN  92 -19.058   9.230  -4.968
  752   2HD2  ASN  92          2HD2      ASN  92 -19.170  10.507  -3.855
  753    H    GLN  93           H        GLN  93 -16.424   5.011  -4.298
  754    HA   GLN  93           HA       GLN  93 -15.590   3.240  -5.585
  755   1HB   GLN  93          2HB       GLN  93 -16.105   5.111  -7.925
  756   2HB   GLN  93          1HB       GLN  93 -15.809   3.379  -8.030
  757   1HG   GLN  93          2HG       GLN  93 -18.159   3.541  -8.120
  758   2HG   GLN  93          1HG       GLN  93 -17.836   3.137  -6.434
  759   1HE2  GLN  93          1HE2      GLN  93 -19.020   4.421  -5.020
  760   2HE2  GLN  93          2HE2      GLN  93 -19.470   6.033  -5.304
  761    H    LEU  94           H        LEU  94 -13.829   5.114  -4.409
  762    HA   LEU  94           HA       LEU  94 -11.466   4.763  -6.163
  763   1HB   LEU  94          2HB       LEU  94 -12.595   7.368  -5.187
  764   2HB   LEU  94          1HB       LEU  94 -10.844   7.200  -5.286
  765    HG   LEU  94           HG       LEU  94 -12.437   6.312  -7.657
  766   1HD1  LEU  94          1HD1      LEU  94 -13.515   8.437  -7.119
  767   2HD1  LEU  94          2HD1      LEU  94 -12.472   8.645  -8.527
  768   3HD1  LEU  94          3HD1      LEU  94 -11.942   9.216  -6.944
  769   1HD2  LEU  94          1HD2      LEU  94 -10.482   6.844  -8.831
  770   2HD2  LEU  94          2HD2      LEU  94  -9.841   6.313  -7.276
  771   3HD2  LEU  94          3HD2      LEU  94  -9.972   8.034  -7.635
  772    HA   PRO  95           HA       PRO  95 -10.255   3.560  -1.968
  773   1HB   PRO  95          2HB       PRO  95  -7.814   2.509  -2.593
  774   2HB   PRO  95          1HB       PRO  95  -9.337   1.655  -2.909
  775   1HG   PRO  95          2HG       PRO  95  -7.591   3.169  -4.783
  776   2HG   PRO  95          1HG       PRO  95  -8.496   1.669  -5.042
  777   1HD   PRO  95          2HD       PRO  95  -9.345   4.147  -5.915
  778   2HD   PRO  95          1HD       PRO  95 -10.438   2.784  -5.588
  779    H    ILE  96           H        ILE  96  -9.417   4.996  -0.462
  780    HA   ILE  96           HA       ILE  96  -6.971   6.513  -1.229
  781    HB   ILE  96           HB       ILE  96  -7.943   8.605  -0.414
  782   1HG1  ILE  96          2HG1      ILE  96 -10.566   8.480  -0.155
  783   2HG1  ILE  96          1HG1      ILE  96 -10.269   6.782   0.203
  784   1HG2  ILE  96          1HG2      ILE  96  -9.201   9.061  -2.333
  785   2HG2  ILE  96          2HG2      ILE  96  -9.969   7.474  -2.329
  786   3HG2  ILE  96          3HG2      ILE  96  -8.287   7.636  -2.822
  787   1HD1  ILE  96          1HD1      ILE  96 -10.264   8.695   2.101
  788   2HD1  ILE  96          2HD1      ILE  96  -8.564   8.752   1.647
  789   3HD1  ILE  96          3HD1      ILE  96  -9.275   7.244   2.217
  790    H    HIS  97           H        HIS  97  -8.704   4.782   1.237
  791    HA   HIS  97           HA       HIS  97  -6.768   5.891   3.251
  792   1HB   HIS  97          2HB       HIS  97  -9.620   5.285   3.383
  793   2HB   HIS  97          1HB       HIS  97  -8.720   4.469   4.658
  794    HD1  HIS  97           1HD      HIS  97  -9.698   6.062   6.474
  795    HD2  HIS  97           2HD      HIS  97  -7.483   8.026   3.534
  796    HE1  HIS  97           1HE      HIS  97  -9.272   8.405   7.339
  797    HE2  HIS  97           2HE      HIS  97  -7.926   9.607   5.559
  798    H    PHE  98           H        PHE  98  -5.405   4.522   4.272
  799    HA   PHE  98           HA       PHE  98  -5.518   1.633   3.502
  800   1HB   PHE  98          2HB       PHE  98  -3.442   2.743   2.823
  801   2HB   PHE  98          1HB       PHE  98  -3.203   3.351   4.460
  802    HD1  PHE  98           1HD      PHE  98  -3.701   0.145   2.582
  803    HD2  PHE  98           2HD      PHE  98  -1.945   2.091   5.986
  804    HE1  PHE  98           1HE      PHE  98  -2.549  -1.964   3.194
  805    HE2  PHE  98           2HE      PHE  98  -0.792  -0.018   6.596
  806    HZ   PHE  98           HZ       PHE  98  -1.094  -2.045   5.200
  807    H    ALA  99           H        ALA  99  -6.765   0.742   5.134
  808    HA   ALA  99           HA       ALA  99  -6.836   1.581   7.836
  809   1HB   ALA  99          1HB       ALA  99  -7.152  -1.320   7.158
  810   2HB   ALA  99          2HB       ALA  99  -8.290  -0.161   6.473
  811   3HB   ALA  99          3HB       ALA  99  -8.128  -0.312   8.221
  812    H    GLY 100           H        GLY 100  -5.329  -1.509   6.831
  813   1HA   GLY 100          2HA       GLY 100  -2.758  -0.912   7.956
  814   2HA   GLY 100          1HA       GLY 100  -3.728  -1.794   9.135
  815    H    VAL 101           H        VAL 101  -1.931  -3.429   8.763
  816    HA   VAL 101           HA       VAL 101  -1.985  -4.868   6.210
  817    HB   VAL 101           HB       VAL 101  -0.250  -6.221   7.118
  818   1HG1  VAL 101          1HG1      VAL 101   0.291  -3.781   6.758
  819   2HG1  VAL 101          2HG1      VAL 101   1.346  -4.597   7.913
  820   3HG1  VAL 101          3HG1      VAL 101   0.059  -3.539   8.490
  821   1HG2  VAL 101          1HG2      VAL 101   0.263  -6.006   9.643
  822   2HG2  VAL 101          2HG2      VAL 101  -1.145  -6.964   9.189
  823   3HG2  VAL 101          3HG2      VAL 101  -1.354  -5.317   9.784
  824    H    GLY 102           H        GLY 102  -2.547  -7.178   6.095
  825   1HA   GLY 102          2HA       GLY 102  -4.093  -8.913   6.408
  826   2HA   GLY 102          1HA       GLY 102  -3.862  -8.625   8.134
  827    H    SER 103           H        SER 103  -6.244  -9.173   8.181
  828    HA   SER 103           HA       SER 103  -8.149  -7.343   7.005
  829   1HB   SER 103          2HB       SER 103  -8.545  -9.170   9.391
  830   2HB   SER 103          1HB       SER 103  -9.803  -8.490   8.363
  831    HG   SER 103           HG       SER 103  -9.270 -10.634   7.767
  832    H    CYS 104           H        CYS 104  -9.494  -5.818   8.219
  833    HA   CYS 104           HA       CYS 104  -8.052  -3.971   9.772
  834   1HB   CYS 104          2HB       CYS 104 -10.799  -4.349   8.953
  835   2HB   CYS 104          1HB       CYS 104 -10.758  -3.807  10.629
  836    HA   PRO 105           HA       PRO 105  -7.546  -5.249  13.948
  837   1HB   PRO 105          2HB       PRO 105  -9.716  -3.319  14.707
  838   2HB   PRO 105          1HB       PRO 105  -8.112  -3.548  15.431
  839   1HG   PRO 105          2HG       PRO 105  -8.631  -1.521  13.764
  840   2HG   PRO 105          1HG       PRO 105  -7.053  -2.326  13.806
  841   1HD   PRO 105          2HD       PRO 105  -9.147  -2.442  11.712
  842   2HD   PRO 105          1HD       PRO 105  -7.409  -2.792  11.589